USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 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 80 MET CE :methyl 170:sc= -0.0117 (180deg=-0.291) USER MOD Set 1.2: A 81 MET CE :methyl -146:sc= -0.0968 (180deg=-1.59) USER MOD Set 2.1: A 69 SER OG : rot -131:sc= 0.723 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 MET CE :methyl 154:sc= -3.41! (180deg=-2.26!) USER MOD Set 3.2: A 60 MET CE :methyl -133:sc= -1.89 (180deg=-1.96!) USER MOD Set 4.1: A 13 THR OG1 : rot -170:sc= 0.33 USER MOD Set 4.2: A 16 GLN : amide:sc= 0.248 K(o=0.58,f=-4.4!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 135:sc= 1.19 (180deg=-0.597) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 2.2 (180deg=1.36) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.0953 (180deg=-0.523) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00378 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.516 (180deg=0.475) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.89 X(o=-1.9,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -125:sc= -0.271 (180deg=-3.13!) USER MOD Single : B 149 SER OG : rot 180:sc= -0.54 USER MOD Single : B 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 154 MET CE :methyl 125:sc=-0.00306 (180deg=-0.385) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 71.862 8.187 11.173 1.00 0.00 N ATOM 45 CA ILE A 4 70.810 8.854 12.013 1.00 0.00 C ATOM 46 C ILE A 4 69.440 8.186 11.787 1.00 0.00 C ATOM 47 O ILE A 4 68.753 7.836 12.729 1.00 0.00 O ATOM 48 CB ILE A 4 70.791 10.318 11.547 1.00 0.00 C ATOM 49 CG1 ILE A 4 72.089 11.013 11.982 1.00 0.00 C ATOM 50 CG2 ILE A 4 69.595 11.049 12.168 1.00 0.00 C ATOM 51 CD1 ILE A 4 72.267 12.310 11.190 1.00 0.00 C ATOM 0 HA ILE A 4 71.023 8.774 13.079 1.00 0.00 H new ATOM 0 HB ILE A 4 70.706 10.344 10.461 1.00 0.00 H new ATOM 0 HG12 ILE A 4 72.058 11.229 13.050 1.00 0.00 H new ATOM 0 HG13 ILE A 4 72.940 10.353 11.815 1.00 0.00 H new ATOM 0 HG21 ILE A 4 69.589 12.086 11.833 1.00 0.00 H new ATOM 0 HG22 ILE A 4 68.670 10.562 11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 4 69.675 11.019 13.255 1.00 0.00 H new ATOM 0 HD11 ILE A 4 73.189 12.802 11.500 1.00 0.00 H new ATOM 0 HD12 ILE A 4 72.318 12.082 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 4 71.421 12.971 11.380 1.00 0.00 H new ATOM 63 N TYR A 5 69.041 8.006 10.549 1.00 0.00 N ATOM 64 CA TYR A 5 67.716 7.359 10.266 1.00 0.00 C ATOM 65 C TYR A 5 67.726 5.894 10.717 1.00 0.00 C ATOM 66 O TYR A 5 66.769 5.411 11.293 1.00 0.00 O ATOM 67 CB TYR A 5 67.538 7.442 8.747 1.00 0.00 C ATOM 68 CG TYR A 5 67.143 8.844 8.353 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.902 9.362 8.743 1.00 0.00 C ATOM 70 CD2 TYR A 5 68.021 9.624 7.594 1.00 0.00 C ATOM 71 CE1 TYR A 5 65.540 10.663 8.373 1.00 0.00 C ATOM 72 CE2 TYR A 5 67.660 10.924 7.225 1.00 0.00 C ATOM 73 CZ TYR A 5 66.419 11.444 7.614 1.00 0.00 C ATOM 74 OH TYR A 5 66.060 12.725 7.248 1.00 0.00 O ATOM 0 H TYR A 5 69.574 8.278 9.723 1.00 0.00 H new ATOM 0 HA TYR A 5 66.905 7.853 10.800 1.00 0.00 H new ATOM 0 HB2 TYR A 5 68.465 7.162 8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 5 66.775 6.735 8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.224 8.758 9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 5 68.977 9.223 7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 5 64.583 11.064 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 5 68.338 11.527 6.640 1.00 0.00 H new ATOM 0 HH TYR A 5 66.783 13.131 6.725 1.00 0.00 H new ATOM 84 N LYS A 6 68.797 5.183 10.460 1.00 0.00 N ATOM 85 CA LYS A 6 68.863 3.751 10.876 1.00 0.00 C ATOM 86 C LYS A 6 68.847 3.637 12.404 1.00 0.00 C ATOM 87 O LYS A 6 68.312 2.693 12.946 1.00 0.00 O ATOM 88 CB LYS A 6 70.174 3.226 10.296 1.00 0.00 C ATOM 89 CG LYS A 6 69.899 2.609 8.920 1.00 0.00 C ATOM 90 CD LYS A 6 71.134 1.840 8.438 1.00 0.00 C ATOM 91 CE LYS A 6 71.469 0.727 9.435 1.00 0.00 C ATOM 92 NZ LYS A 6 70.367 -0.274 9.299 1.00 0.00 N ATOM 0 H LYS A 6 69.626 5.534 9.981 1.00 0.00 H new ATOM 0 HA LYS A 6 68.009 3.177 10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.898 4.036 10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.609 2.481 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.042 1.939 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.645 3.391 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.948 1.414 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.981 2.519 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.437 0.278 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.524 1.115 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.771 -1.232 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 69.727 -0.199 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 69.836 -0.089 8.424 1.00 0.00 H new ATOM 106 N ALA A 7 69.407 4.599 13.105 1.00 0.00 N ATOM 107 CA ALA A 7 69.392 4.544 14.602 1.00 0.00 C ATOM 108 C ALA A 7 67.954 4.312 15.087 1.00 0.00 C ATOM 109 O ALA A 7 67.708 3.502 15.962 1.00 0.00 O ATOM 110 CB ALA A 7 69.915 5.908 15.063 1.00 0.00 C ATOM 0 H ALA A 7 69.871 5.415 12.706 1.00 0.00 H new ATOM 0 HA ALA A 7 70.003 3.734 15.001 1.00 0.00 H new ATOM 0 HB1 ALA A 7 69.932 5.942 16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 7 70.924 6.059 14.679 1.00 0.00 H new ATOM 0 HB3 ALA A 7 69.261 6.695 14.686 1.00 0.00 H new ATOM 116 N ALA A 8 67.000 4.994 14.495 1.00 0.00 N ATOM 117 CA ALA A 8 65.571 4.792 14.886 1.00 0.00 C ATOM 118 C ALA A 8 65.109 3.408 14.409 1.00 0.00 C ATOM 119 O ALA A 8 64.438 2.687 15.124 1.00 0.00 O ATOM 120 CB ALA A 8 64.793 5.900 14.167 1.00 0.00 C ATOM 0 H ALA A 8 67.152 5.682 13.757 1.00 0.00 H new ATOM 0 HA ALA A 8 65.419 4.837 15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 8 63.733 5.815 14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 8 65.162 6.873 14.492 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.930 5.801 13.090 1.00 0.00 H new ATOM 126 N VAL A 9 65.483 3.033 13.206 1.00 0.00 N ATOM 127 CA VAL A 9 65.095 1.690 12.663 1.00 0.00 C ATOM 128 C VAL A 9 65.683 0.574 13.543 1.00 0.00 C ATOM 129 O VAL A 9 65.034 -0.418 13.816 1.00 0.00 O ATOM 130 CB VAL A 9 65.699 1.641 11.250 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.504 0.246 10.649 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.006 2.676 10.358 1.00 0.00 C ATOM 0 H VAL A 9 66.044 3.604 12.574 1.00 0.00 H new ATOM 0 HA VAL A 9 64.015 1.546 12.647 1.00 0.00 H new ATOM 0 HB VAL A 9 66.764 1.864 11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 9 65.934 0.218 9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.000 -0.494 11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 9 64.439 0.020 10.593 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.436 2.640 9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.940 2.454 10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 9 65.148 3.672 10.778 1.00 0.00 H new ATOM 142 N GLU A 10 66.906 0.737 13.988 1.00 0.00 N ATOM 143 CA GLU A 10 67.547 -0.301 14.856 1.00 0.00 C ATOM 144 C GLU A 10 66.874 -0.342 16.235 1.00 0.00 C ATOM 145 O GLU A 10 66.845 -1.369 16.886 1.00 0.00 O ATOM 146 CB GLU A 10 69.011 0.132 14.994 1.00 0.00 C ATOM 147 CG GLU A 10 69.871 -0.610 13.965 1.00 0.00 C ATOM 148 CD GLU A 10 70.091 0.279 12.740 1.00 0.00 C ATOM 149 OE1 GLU A 10 71.064 1.015 12.733 1.00 0.00 O ATOM 150 OE2 GLU A 10 69.285 0.205 11.826 1.00 0.00 O ATOM 0 H GLU A 10 67.490 1.548 13.786 1.00 0.00 H new ATOM 0 HA GLU A 10 67.454 -1.298 14.426 1.00 0.00 H new ATOM 0 HB2 GLU A 10 69.097 1.208 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 10 69.369 -0.080 16.001 1.00 0.00 H new ATOM 0 HG2 GLU A 10 70.830 -0.881 14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.382 -1.538 13.670 1.00 0.00 H new ATOM 157 N GLN A 11 66.336 0.767 16.687 1.00 0.00 N ATOM 158 CA GLN A 11 65.670 0.794 18.026 1.00 0.00 C ATOM 159 C GLN A 11 64.163 0.507 17.897 1.00 0.00 C ATOM 160 O GLN A 11 63.347 1.131 18.552 1.00 0.00 O ATOM 161 CB GLN A 11 65.911 2.213 18.551 1.00 0.00 C ATOM 162 CG GLN A 11 66.350 2.147 20.015 1.00 0.00 C ATOM 163 CD GLN A 11 65.822 3.372 20.764 1.00 0.00 C ATOM 164 OE1 GLN A 11 66.280 4.475 20.547 1.00 0.00 O ATOM 165 NE2 GLN A 11 64.870 3.226 21.641 1.00 0.00 N ATOM 0 H GLN A 11 66.330 1.655 16.185 1.00 0.00 H new ATOM 0 HA GLN A 11 66.067 0.033 18.697 1.00 0.00 H new ATOM 0 HB2 GLN A 11 66.676 2.709 17.953 1.00 0.00 H new ATOM 0 HB3 GLN A 11 65.001 2.806 18.459 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.973 1.235 20.478 1.00 0.00 H new ATOM 0 HG3 GLN A 11 67.438 2.110 20.078 1.00 0.00 H new ATOM 0 HE21 GLN A 11 64.484 2.300 21.825 1.00 0.00 H new ATOM 0 HE22 GLN A 11 64.511 4.038 22.144 1.00 0.00 H new ATOM 174 N LEU A 12 63.788 -0.439 17.070 1.00 0.00 N ATOM 175 CA LEU A 12 62.337 -0.771 16.910 1.00 0.00 C ATOM 176 C LEU A 12 62.023 -2.106 17.589 1.00 0.00 C ATOM 177 O LEU A 12 62.623 -3.120 17.284 1.00 0.00 O ATOM 178 CB LEU A 12 62.113 -0.885 15.399 1.00 0.00 C ATOM 179 CG LEU A 12 61.723 0.480 14.828 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.858 0.451 13.304 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.273 0.798 15.202 1.00 0.00 C ATOM 0 H LEU A 12 64.424 -0.996 16.499 1.00 0.00 H new ATOM 0 HA LEU A 12 61.694 -0.017 17.364 1.00 0.00 H new ATOM 0 HB2 LEU A 12 63.020 -1.247 14.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 61.329 -1.613 15.192 1.00 0.00 H new ATOM 0 HG LEU A 12 62.381 1.246 15.240 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.580 1.423 12.896 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.890 0.225 13.034 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.200 -0.316 12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.997 1.771 14.794 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.615 0.032 14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.173 0.818 16.287 1.00 0.00 H new ATOM 193 N THR A 13 61.086 -2.122 18.500 1.00 0.00 N ATOM 194 CA THR A 13 60.735 -3.405 19.188 1.00 0.00 C ATOM 195 C THR A 13 59.827 -4.247 18.295 1.00 0.00 C ATOM 196 O THR A 13 59.272 -3.763 17.327 1.00 0.00 O ATOM 197 CB THR A 13 60.008 -3.022 20.485 1.00 0.00 C ATOM 198 OG1 THR A 13 60.226 -1.647 20.791 1.00 0.00 O ATOM 199 CG2 THR A 13 60.528 -3.887 21.634 1.00 0.00 C ATOM 0 H THR A 13 60.549 -1.308 18.798 1.00 0.00 H new ATOM 0 HA THR A 13 61.625 -3.997 19.401 1.00 0.00 H new ATOM 0 HB THR A 13 58.939 -3.187 20.351 1.00 0.00 H new ATOM 0 HG1 THR A 13 59.893 -1.456 21.693 1.00 0.00 H new ATOM 0 HG21 THR A 13 60.013 -3.616 22.555 1.00 0.00 H new ATOM 0 HG22 THR A 13 60.344 -4.938 21.411 1.00 0.00 H new ATOM 0 HG23 THR A 13 61.599 -3.724 21.756 1.00 0.00 H new ATOM 207 N GLU A 14 59.685 -5.509 18.607 1.00 0.00 N ATOM 208 CA GLU A 14 58.825 -6.406 17.773 1.00 0.00 C ATOM 209 C GLU A 14 57.422 -5.810 17.582 1.00 0.00 C ATOM 210 O GLU A 14 56.787 -6.024 16.567 1.00 0.00 O ATOM 211 CB GLU A 14 58.752 -7.728 18.544 1.00 0.00 C ATOM 212 CG GLU A 14 59.701 -8.754 17.908 1.00 0.00 C ATOM 213 CD GLU A 14 61.063 -8.111 17.628 1.00 0.00 C ATOM 214 OE1 GLU A 14 61.752 -7.780 18.580 1.00 0.00 O ATOM 215 OE2 GLU A 14 61.390 -7.952 16.464 1.00 0.00 O ATOM 0 H GLU A 14 60.129 -5.960 19.407 1.00 0.00 H new ATOM 0 HA GLU A 14 59.238 -6.539 16.773 1.00 0.00 H new ATOM 0 HB2 GLU A 14 59.023 -7.566 19.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 57.731 -8.109 18.535 1.00 0.00 H new ATOM 0 HG2 GLU A 14 59.824 -9.608 18.574 1.00 0.00 H new ATOM 0 HG3 GLU A 14 59.271 -9.132 16.980 1.00 0.00 H new ATOM 222 N GLU A 15 56.941 -5.060 18.545 1.00 0.00 N ATOM 223 CA GLU A 15 55.585 -4.439 18.418 1.00 0.00 C ATOM 224 C GLU A 15 55.545 -3.523 17.188 1.00 0.00 C ATOM 225 O GLU A 15 54.671 -3.636 16.349 1.00 0.00 O ATOM 226 CB GLU A 15 55.392 -3.628 19.705 1.00 0.00 C ATOM 227 CG GLU A 15 55.327 -4.576 20.910 1.00 0.00 C ATOM 228 CD GLU A 15 56.641 -4.505 21.695 1.00 0.00 C ATOM 229 OE1 GLU A 15 57.580 -5.180 21.304 1.00 0.00 O ATOM 230 OE2 GLU A 15 56.685 -3.776 22.671 1.00 0.00 O ATOM 0 H GLU A 15 57.431 -4.851 19.415 1.00 0.00 H new ATOM 0 HA GLU A 15 54.798 -5.182 18.290 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.214 -2.923 19.829 1.00 0.00 H new ATOM 0 HB3 GLU A 15 54.476 -3.041 19.642 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.492 -4.303 21.555 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.149 -5.597 20.572 1.00 0.00 H new ATOM 237 N GLN A 16 56.497 -2.627 17.069 1.00 0.00 N ATOM 238 CA GLN A 16 56.533 -1.710 15.883 1.00 0.00 C ATOM 239 C GLN A 16 57.135 -2.435 14.674 1.00 0.00 C ATOM 240 O GLN A 16 56.844 -2.119 13.537 1.00 0.00 O ATOM 241 CB GLN A 16 57.424 -0.528 16.290 1.00 0.00 C ATOM 242 CG GLN A 16 56.924 0.090 17.601 1.00 0.00 C ATOM 243 CD GLN A 16 57.962 -0.140 18.703 1.00 0.00 C ATOM 244 OE1 GLN A 16 59.121 0.185 18.540 1.00 0.00 O ATOM 245 NE2 GLN A 16 57.595 -0.690 19.826 1.00 0.00 N ATOM 0 H GLN A 16 57.251 -2.491 17.742 1.00 0.00 H new ATOM 0 HA GLN A 16 55.533 -1.379 15.602 1.00 0.00 H new ATOM 0 HB2 GLN A 16 58.454 -0.864 16.408 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.423 0.225 15.502 1.00 0.00 H new ATOM 0 HG2 GLN A 16 56.749 1.158 17.469 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.971 -0.356 17.886 1.00 0.00 H new ATOM 0 HE21 GLN A 16 56.622 -0.964 19.966 1.00 0.00 H new ATOM 0 HE22 GLN A 16 58.280 -0.846 20.565 1.00 0.00 H new ATOM 254 N LYS A 17 57.969 -3.409 14.922 1.00 0.00 N ATOM 255 CA LYS A 17 58.602 -4.179 13.806 1.00 0.00 C ATOM 256 C LYS A 17 57.548 -5.035 13.092 1.00 0.00 C ATOM 257 O LYS A 17 57.522 -5.111 11.879 1.00 0.00 O ATOM 258 CB LYS A 17 59.659 -5.068 14.476 1.00 0.00 C ATOM 259 CG LYS A 17 60.865 -5.228 13.546 1.00 0.00 C ATOM 260 CD LYS A 17 62.037 -4.393 14.073 1.00 0.00 C ATOM 261 CE LYS A 17 63.088 -5.313 14.709 1.00 0.00 C ATOM 262 NZ LYS A 17 62.636 -5.518 16.116 1.00 0.00 N ATOM 0 H LYS A 17 58.243 -3.709 15.858 1.00 0.00 H new ATOM 0 HA LYS A 17 59.044 -3.526 13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.973 -4.626 15.422 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.233 -6.045 14.706 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.152 -6.278 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.603 -4.909 12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.484 -3.823 13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.680 -3.672 14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.154 -6.261 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 17 64.078 -4.859 14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.435 -5.851 16.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.282 -4.619 16.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.875 -6.227 16.136 1.00 0.00 H new ATOM 276 N ASN A 18 56.677 -5.674 13.841 1.00 0.00 N ATOM 277 CA ASN A 18 55.614 -6.530 13.221 1.00 0.00 C ATOM 278 C ASN A 18 54.764 -5.714 12.235 1.00 0.00 C ATOM 279 O ASN A 18 54.402 -6.197 11.180 1.00 0.00 O ATOM 280 CB ASN A 18 54.761 -7.017 14.398 1.00 0.00 C ATOM 281 CG ASN A 18 53.672 -7.965 13.892 1.00 0.00 C ATOM 282 OD1 ASN A 18 53.912 -9.141 13.709 1.00 0.00 O ATOM 283 ND2 ASN A 18 52.477 -7.501 13.657 1.00 0.00 N ATOM 0 H ASN A 18 56.658 -5.638 14.860 1.00 0.00 H new ATOM 0 HA ASN A 18 56.037 -7.358 12.652 1.00 0.00 H new ATOM 0 HB2 ASN A 18 55.390 -7.527 15.128 1.00 0.00 H new ATOM 0 HB3 ASN A 18 54.308 -6.166 14.907 1.00 0.00 H new ATOM 0 HD21 ASN A 18 51.745 -8.126 13.320 1.00 0.00 H new ATOM 0 HD22 ASN A 18 52.274 -6.513 13.810 1.00 0.00 H new ATOM 290 N GLU A 19 54.449 -4.484 12.566 1.00 0.00 N ATOM 291 CA GLU A 19 53.630 -3.638 11.638 1.00 0.00 C ATOM 292 C GLU A 19 54.297 -3.578 10.256 1.00 0.00 C ATOM 293 O GLU A 19 53.660 -3.791 9.241 1.00 0.00 O ATOM 294 CB GLU A 19 53.598 -2.248 12.282 1.00 0.00 C ATOM 295 CG GLU A 19 52.318 -2.088 13.109 1.00 0.00 C ATOM 296 CD GLU A 19 51.924 -0.610 13.166 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.362 -0.128 12.194 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.188 0.015 14.179 1.00 0.00 O ATOM 0 H GLU A 19 54.723 -4.029 13.437 1.00 0.00 H new ATOM 0 HA GLU A 19 52.626 -4.037 11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.472 -2.112 12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.642 -1.479 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.512 -2.673 12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.474 -2.472 14.117 1.00 0.00 H new ATOM 305 N PHE A 20 55.578 -3.301 10.214 1.00 0.00 N ATOM 306 CA PHE A 20 56.295 -3.237 8.901 1.00 0.00 C ATOM 307 C PHE A 20 56.587 -4.652 8.385 1.00 0.00 C ATOM 308 O PHE A 20 56.566 -4.895 7.195 1.00 0.00 O ATOM 309 CB PHE A 20 57.593 -2.473 9.182 1.00 0.00 C ATOM 310 CG PHE A 20 57.261 -1.033 9.504 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.559 -0.253 8.577 1.00 0.00 C ATOM 312 CD2 PHE A 20 57.644 -0.485 10.733 1.00 0.00 C ATOM 313 CE1 PHE A 20 56.243 1.076 8.879 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.326 0.845 11.036 1.00 0.00 C ATOM 315 CZ PHE A 20 56.625 1.625 10.109 1.00 0.00 C ATOM 0 H PHE A 20 56.158 -3.116 11.032 1.00 0.00 H new ATOM 0 HA PHE A 20 55.702 -2.742 8.132 1.00 0.00 H new ATOM 0 HB2 PHE A 20 58.126 -2.931 10.015 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.253 -2.522 8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 20 56.262 -0.677 7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.185 -1.087 11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.704 1.679 8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.622 1.268 11.985 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.379 2.650 10.343 1.00 0.00 H new ATOM 325 N LYS A 21 56.842 -5.591 9.266 1.00 0.00 N ATOM 326 CA LYS A 21 57.111 -6.991 8.812 1.00 0.00 C ATOM 327 C LYS A 21 55.852 -7.563 8.136 1.00 0.00 C ATOM 328 O LYS A 21 55.942 -8.309 7.181 1.00 0.00 O ATOM 329 CB LYS A 21 57.510 -7.766 10.089 1.00 0.00 C ATOM 330 CG LYS A 21 56.367 -8.663 10.589 1.00 0.00 C ATOM 331 CD LYS A 21 56.415 -10.009 9.861 1.00 0.00 C ATOM 332 CE LYS A 21 54.992 -10.449 9.507 1.00 0.00 C ATOM 333 NZ LYS A 21 55.157 -11.671 8.667 1.00 0.00 N ATOM 0 H LYS A 21 56.875 -5.448 10.275 1.00 0.00 H new ATOM 0 HA LYS A 21 57.906 -7.059 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.389 -8.377 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.788 -7.060 10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.455 -8.816 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.407 -8.177 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 21 57.016 -9.924 8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 21 56.893 -10.759 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 21 54.412 -10.664 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 21 54.462 -9.667 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 54.262 -11.882 8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 55.904 -11.509 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 55.420 -12.475 9.272 1.00 0.00 H new ATOM 347 N ALA A 22 54.683 -7.188 8.609 1.00 0.00 N ATOM 348 CA ALA A 22 53.415 -7.675 7.981 1.00 0.00 C ATOM 349 C ALA A 22 53.179 -6.916 6.671 1.00 0.00 C ATOM 350 O ALA A 22 52.798 -7.485 5.666 1.00 0.00 O ATOM 351 CB ALA A 22 52.312 -7.354 8.995 1.00 0.00 C ATOM 0 H ALA A 22 54.556 -6.564 9.405 1.00 0.00 H new ATOM 0 HA ALA A 22 53.442 -8.739 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.350 -7.683 8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.518 -7.871 9.932 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.283 -6.279 9.172 1.00 0.00 H new ATOM 357 N ALA A 23 53.428 -5.629 6.681 1.00 0.00 N ATOM 358 CA ALA A 23 53.250 -4.808 5.446 1.00 0.00 C ATOM 359 C ALA A 23 54.373 -5.096 4.433 1.00 0.00 C ATOM 360 O ALA A 23 54.340 -4.616 3.318 1.00 0.00 O ATOM 361 CB ALA A 23 53.324 -3.356 5.928 1.00 0.00 C ATOM 0 H ALA A 23 53.749 -5.110 7.498 1.00 0.00 H new ATOM 0 HA ALA A 23 52.311 -5.029 4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.202 -2.684 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.531 -3.172 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.292 -3.177 6.396 1.00 0.00 H new ATOM 367 N PHE A 24 55.371 -5.863 4.815 1.00 0.00 N ATOM 368 CA PHE A 24 56.494 -6.169 3.877 1.00 0.00 C ATOM 369 C PHE A 24 56.423 -7.629 3.398 1.00 0.00 C ATOM 370 O PHE A 24 56.514 -7.901 2.215 1.00 0.00 O ATOM 371 CB PHE A 24 57.761 -5.931 4.706 1.00 0.00 C ATOM 372 CG PHE A 24 58.986 -6.125 3.844 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.475 -7.414 3.601 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.633 -5.016 3.292 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.611 -7.593 2.803 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.770 -5.194 2.494 1.00 0.00 C ATOM 377 CZ PHE A 24 61.259 -6.482 2.251 1.00 0.00 C ATOM 0 H PHE A 24 55.453 -6.289 5.738 1.00 0.00 H new ATOM 0 HA PHE A 24 56.463 -5.552 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.752 -4.922 5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.788 -6.620 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.976 -8.271 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.256 -4.022 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.987 -8.587 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.269 -4.337 2.066 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.137 -6.619 1.637 1.00 0.00 H new ATOM 387 N ASP A 25 56.274 -8.568 4.305 1.00 0.00 N ATOM 388 CA ASP A 25 56.212 -10.011 3.899 1.00 0.00 C ATOM 389 C ASP A 25 55.008 -10.270 2.973 1.00 0.00 C ATOM 390 O ASP A 25 55.122 -10.973 1.985 1.00 0.00 O ATOM 391 CB ASP A 25 56.117 -10.803 5.222 1.00 0.00 C ATOM 392 CG ASP A 25 54.660 -11.084 5.601 1.00 0.00 C ATOM 393 OD1 ASP A 25 54.045 -10.220 6.199 1.00 0.00 O ATOM 394 OD2 ASP A 25 54.190 -12.168 5.301 1.00 0.00 O ATOM 0 H ASP A 25 56.193 -8.398 5.307 1.00 0.00 H new ATOM 0 HA ASP A 25 57.086 -10.318 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.657 -11.745 5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.600 -10.240 6.020 1.00 0.00 H new ATOM 399 N ILE A 26 53.867 -9.696 3.269 1.00 0.00 N ATOM 400 CA ILE A 26 52.671 -9.898 2.389 1.00 0.00 C ATOM 401 C ILE A 26 52.806 -9.039 1.122 1.00 0.00 C ATOM 402 O ILE A 26 52.273 -9.369 0.080 1.00 0.00 O ATOM 403 CB ILE A 26 51.467 -9.455 3.231 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.229 -10.472 4.352 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.215 -9.384 2.351 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.494 -9.796 5.510 1.00 0.00 C ATOM 0 H ILE A 26 53.711 -9.097 4.080 1.00 0.00 H new ATOM 0 HA ILE A 26 52.564 -10.932 2.061 1.00 0.00 H new ATOM 0 HB ILE A 26 51.671 -8.472 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.644 -11.311 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 26 52.180 -10.876 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.364 -9.069 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.376 -8.666 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.014 -10.367 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.325 -10.521 6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.096 -8.971 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.536 -9.413 5.159 1.00 0.00 H new ATOM 418 N PHE A 27 53.525 -7.945 1.211 1.00 0.00 N ATOM 419 CA PHE A 27 53.721 -7.053 0.025 1.00 0.00 C ATOM 420 C PHE A 27 54.385 -7.825 -1.121 1.00 0.00 C ATOM 421 O PHE A 27 53.927 -7.798 -2.248 1.00 0.00 O ATOM 422 CB PHE A 27 54.657 -5.947 0.524 1.00 0.00 C ATOM 423 CG PHE A 27 54.561 -4.732 -0.370 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.847 -4.837 -1.737 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.187 -3.499 0.173 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.762 -3.708 -2.558 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.101 -2.370 -0.649 1.00 0.00 C ATOM 428 CZ PHE A 27 54.386 -2.475 -2.015 1.00 0.00 C ATOM 0 H PHE A 27 53.988 -7.630 2.063 1.00 0.00 H new ATOM 0 HA PHE A 27 52.778 -6.663 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.396 -5.675 1.547 1.00 0.00 H new ATOM 0 HB3 PHE A 27 55.684 -6.312 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.133 -5.790 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 27 53.965 -3.418 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.987 -3.788 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.815 -1.417 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.316 -1.604 -2.650 1.00 0.00 H new ATOM 438 N VAL A 28 55.470 -8.499 -0.839 1.00 0.00 N ATOM 439 CA VAL A 28 56.182 -9.264 -1.911 1.00 0.00 C ATOM 440 C VAL A 28 55.672 -10.707 -1.996 1.00 0.00 C ATOM 441 O VAL A 28 55.596 -11.269 -3.073 1.00 0.00 O ATOM 442 CB VAL A 28 57.676 -9.231 -1.534 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.134 -7.780 -1.372 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.920 -9.984 -0.219 1.00 0.00 C ATOM 0 H VAL A 28 55.895 -8.554 0.087 1.00 0.00 H new ATOM 0 HA VAL A 28 56.008 -8.821 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 28 58.242 -9.715 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.191 -7.760 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 28 57.986 -7.245 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 28 57.552 -7.300 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.981 -9.949 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.345 -9.516 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.608 -11.022 -0.331 1.00 0.00 H new ATOM 454 N LEU A 29 55.325 -11.313 -0.878 1.00 0.00 N ATOM 455 CA LEU A 29 54.827 -12.725 -0.898 1.00 0.00 C ATOM 456 C LEU A 29 55.739 -13.598 -1.777 1.00 0.00 C ATOM 457 O LEU A 29 55.280 -14.391 -2.579 1.00 0.00 O ATOM 458 CB LEU A 29 53.417 -12.632 -1.485 1.00 0.00 C ATOM 459 CG LEU A 29 52.480 -13.540 -0.691 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.284 -12.732 -0.186 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.983 -14.672 -1.593 1.00 0.00 C ATOM 0 H LEU A 29 55.367 -10.886 0.047 1.00 0.00 H new ATOM 0 HA LEU A 29 54.823 -13.183 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.062 -11.602 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.427 -12.928 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 29 53.019 -13.958 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.618 -13.383 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 29 51.635 -11.925 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.745 -12.311 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 29 51.314 -15.321 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.447 -14.251 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.834 -15.252 -1.951 1.00 0.00 H new ATOM 473 N GLY A 30 57.032 -13.433 -1.640 1.00 0.00 N ATOM 474 CA GLY A 30 57.994 -14.217 -2.471 1.00 0.00 C ATOM 475 C GLY A 30 58.594 -13.293 -3.535 1.00 0.00 C ATOM 476 O GLY A 30 59.786 -13.054 -3.556 1.00 0.00 O ATOM 0 H GLY A 30 57.464 -12.783 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 30 58.783 -14.633 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 30 57.486 -15.058 -2.944 1.00 0.00 H new ATOM 480 N ALA A 31 57.764 -12.763 -4.410 1.00 0.00 N ATOM 481 CA ALA A 31 58.251 -11.836 -5.486 1.00 0.00 C ATOM 482 C ALA A 31 59.482 -12.416 -6.202 1.00 0.00 C ATOM 483 O ALA A 31 60.529 -11.795 -6.258 1.00 0.00 O ATOM 484 CB ALA A 31 58.604 -10.534 -4.760 1.00 0.00 C ATOM 0 H ALA A 31 56.759 -12.936 -4.423 1.00 0.00 H new ATOM 0 HA ALA A 31 57.498 -11.682 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 31 58.969 -9.803 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 31 57.716 -10.142 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.378 -10.730 -4.018 1.00 0.00 H new ATOM 524 N CYS A 35 62.824 -9.820 -2.707 1.00 0.00 N ATOM 525 CA CYS A 35 62.307 -8.735 -1.796 1.00 0.00 C ATOM 526 C CYS A 35 61.396 -7.747 -2.560 1.00 0.00 C ATOM 527 O CYS A 35 60.754 -8.113 -3.528 1.00 0.00 O ATOM 528 CB CYS A 35 63.570 -8.039 -1.269 1.00 0.00 C ATOM 529 SG CYS A 35 64.455 -9.162 -0.157 1.00 0.00 S ATOM 0 HA CYS A 35 61.692 -9.133 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.213 -7.750 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 35 63.301 -7.124 -0.741 1.00 0.00 H new ATOM 0 HG CYS A 35 65.526 -8.576 0.289 1.00 0.00 H new ATOM 535 N ILE A 36 61.324 -6.501 -2.134 1.00 0.00 N ATOM 536 CA ILE A 36 60.448 -5.516 -2.850 1.00 0.00 C ATOM 537 C ILE A 36 61.166 -4.978 -4.096 1.00 0.00 C ATOM 538 O ILE A 36 62.070 -4.166 -4.007 1.00 0.00 O ATOM 539 CB ILE A 36 60.168 -4.383 -1.845 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.140 -4.863 -0.813 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.606 -3.163 -2.587 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.860 -3.749 0.207 1.00 0.00 C ATOM 0 H ILE A 36 61.830 -6.130 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 36 59.519 -5.974 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 36 61.095 -4.108 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.215 -5.149 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.513 -5.750 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.409 -2.363 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.331 -2.821 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.679 -3.438 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.129 -4.099 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.785 -3.484 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.467 -2.873 -0.309 1.00 0.00 H new ATOM 554 N SER A 37 60.761 -5.423 -5.257 1.00 0.00 N ATOM 555 CA SER A 37 61.403 -4.941 -6.519 1.00 0.00 C ATOM 556 C SER A 37 60.526 -3.870 -7.181 1.00 0.00 C ATOM 557 O SER A 37 59.433 -3.583 -6.727 1.00 0.00 O ATOM 558 CB SER A 37 61.503 -6.179 -7.412 1.00 0.00 C ATOM 559 OG SER A 37 62.464 -5.943 -8.434 1.00 0.00 O ATOM 0 H SER A 37 60.011 -6.102 -5.387 1.00 0.00 H new ATOM 0 HA SER A 37 62.379 -4.489 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.791 -7.047 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.532 -6.403 -7.854 1.00 0.00 H new ATOM 0 HG SER A 37 62.533 -6.735 -9.008 1.00 0.00 H new ATOM 565 N THR A 38 60.991 -3.282 -8.256 1.00 0.00 N ATOM 566 CA THR A 38 60.177 -2.233 -8.956 1.00 0.00 C ATOM 567 C THR A 38 58.860 -2.840 -9.463 1.00 0.00 C ATOM 568 O THR A 38 57.816 -2.217 -9.400 1.00 0.00 O ATOM 569 CB THR A 38 61.038 -1.755 -10.133 1.00 0.00 C ATOM 570 OG1 THR A 38 61.474 -2.873 -10.894 1.00 0.00 O ATOM 571 CG2 THR A 38 62.255 -0.992 -9.606 1.00 0.00 C ATOM 0 H THR A 38 61.897 -3.481 -8.680 1.00 0.00 H new ATOM 0 HA THR A 38 59.918 -1.409 -8.292 1.00 0.00 H new ATOM 0 HB THR A 38 60.443 -1.096 -10.766 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.022 -2.564 -11.645 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.864 -0.654 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.922 -0.129 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.848 -1.648 -8.968 1.00 0.00 H new ATOM 579 N LYS A 39 58.908 -4.058 -9.953 1.00 0.00 N ATOM 580 CA LYS A 39 57.665 -4.726 -10.459 1.00 0.00 C ATOM 581 C LYS A 39 56.682 -4.971 -9.305 1.00 0.00 C ATOM 582 O LYS A 39 55.488 -4.797 -9.452 1.00 0.00 O ATOM 583 CB LYS A 39 58.141 -6.059 -11.051 1.00 0.00 C ATOM 584 CG LYS A 39 57.335 -6.376 -12.315 1.00 0.00 C ATOM 585 CD LYS A 39 56.893 -7.844 -12.292 1.00 0.00 C ATOM 586 CE LYS A 39 55.502 -7.952 -11.658 1.00 0.00 C ATOM 587 NZ LYS A 39 55.679 -8.843 -10.473 1.00 0.00 N ATOM 0 H LYS A 39 59.757 -4.619 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 39 57.142 -4.116 -11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.203 -6.004 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.019 -6.858 -10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.463 -5.725 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 39 57.939 -6.182 -13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.874 -8.244 -13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.609 -8.441 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 39 55.128 -6.972 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 39 54.781 -8.370 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 54.748 -9.086 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.170 -9.713 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.243 -8.352 -9.750 1.00 0.00 H new ATOM 601 N GLU A 40 57.179 -5.372 -8.159 1.00 0.00 N ATOM 602 CA GLU A 40 56.280 -5.629 -6.987 1.00 0.00 C ATOM 603 C GLU A 40 55.620 -4.324 -6.523 1.00 0.00 C ATOM 604 O GLU A 40 54.421 -4.264 -6.328 1.00 0.00 O ATOM 605 CB GLU A 40 57.198 -6.183 -5.892 1.00 0.00 C ATOM 606 CG GLU A 40 57.160 -7.716 -5.905 1.00 0.00 C ATOM 607 CD GLU A 40 57.614 -8.240 -7.271 1.00 0.00 C ATOM 608 OE1 GLU A 40 58.754 -7.994 -7.633 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.813 -8.876 -7.933 1.00 0.00 O ATOM 0 H GLU A 40 58.171 -5.533 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 40 55.475 -6.321 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.219 -5.835 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.882 -5.811 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.807 -8.111 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.150 -8.065 -5.690 1.00 0.00 H new ATOM 616 N LEU A 41 56.397 -3.279 -6.347 1.00 0.00 N ATOM 617 CA LEU A 41 55.818 -1.972 -5.897 1.00 0.00 C ATOM 618 C LEU A 41 54.811 -1.451 -6.931 1.00 0.00 C ATOM 619 O LEU A 41 53.717 -1.044 -6.588 1.00 0.00 O ATOM 620 CB LEU A 41 57.019 -1.017 -5.775 1.00 0.00 C ATOM 621 CG LEU A 41 56.552 0.444 -5.854 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.516 0.725 -4.761 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.753 1.371 -5.665 1.00 0.00 C ATOM 0 H LEU A 41 57.406 -3.276 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 41 55.280 -2.065 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.535 -1.190 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.735 -1.220 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 41 56.098 0.621 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.191 1.764 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.657 0.067 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.961 0.544 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.424 2.409 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.206 1.186 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.487 1.180 -6.448 1.00 0.00 H new ATOM 635 N GLY A 42 55.176 -1.460 -8.191 1.00 0.00 N ATOM 636 CA GLY A 42 54.247 -0.961 -9.248 1.00 0.00 C ATOM 637 C GLY A 42 52.935 -1.756 -9.217 1.00 0.00 C ATOM 638 O GLY A 42 51.868 -1.194 -9.368 1.00 0.00 O ATOM 0 H GLY A 42 56.079 -1.792 -8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 42 54.043 0.098 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.715 -1.055 -10.228 1.00 0.00 H new ATOM 642 N LYS A 43 53.004 -3.052 -9.012 1.00 0.00 N ATOM 643 CA LYS A 43 51.752 -3.877 -8.959 1.00 0.00 C ATOM 644 C LYS A 43 50.806 -3.326 -7.882 1.00 0.00 C ATOM 645 O LYS A 43 49.621 -3.167 -8.109 1.00 0.00 O ATOM 646 CB LYS A 43 52.212 -5.296 -8.603 1.00 0.00 C ATOM 647 CG LYS A 43 51.526 -6.304 -9.530 1.00 0.00 C ATOM 648 CD LYS A 43 50.746 -7.323 -8.694 1.00 0.00 C ATOM 649 CE LYS A 43 50.428 -8.556 -9.546 1.00 0.00 C ATOM 650 NZ LYS A 43 49.076 -8.297 -10.124 1.00 0.00 N ATOM 0 H LYS A 43 53.871 -3.573 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 43 51.207 -3.860 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.295 -5.374 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.970 -5.518 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.852 -5.786 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 43 52.269 -6.814 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.329 -7.614 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 43 49.823 -6.875 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 51.172 -8.694 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 43 50.430 -9.463 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 48.793 -9.101 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 48.387 -8.177 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 49.105 -7.432 -10.701 1.00 0.00 H new ATOM 664 N VAL A 44 51.327 -3.017 -6.718 1.00 0.00 N ATOM 665 CA VAL A 44 50.462 -2.457 -5.631 1.00 0.00 C ATOM 666 C VAL A 44 49.980 -1.053 -6.029 1.00 0.00 C ATOM 667 O VAL A 44 48.823 -0.716 -5.856 1.00 0.00 O ATOM 668 CB VAL A 44 51.356 -2.403 -4.385 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.612 -1.699 -3.248 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.709 -3.829 -3.948 1.00 0.00 C ATOM 0 H VAL A 44 52.311 -3.128 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 44 49.573 -3.061 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 44 52.268 -1.853 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.249 -1.662 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.356 -0.684 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.700 -2.248 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.344 -3.792 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.795 -4.375 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.240 -4.336 -4.754 1.00 0.00 H new ATOM 680 N MET A 45 50.855 -0.242 -6.581 1.00 0.00 N ATOM 681 CA MET A 45 50.443 1.132 -7.017 1.00 0.00 C ATOM 682 C MET A 45 49.330 1.026 -8.070 1.00 0.00 C ATOM 683 O MET A 45 48.382 1.790 -8.064 1.00 0.00 O ATOM 684 CB MET A 45 51.703 1.760 -7.622 1.00 0.00 C ATOM 685 CG MET A 45 52.096 2.985 -6.798 1.00 0.00 C ATOM 686 SD MET A 45 53.898 3.123 -6.726 1.00 0.00 S ATOM 687 CE MET A 45 54.000 3.779 -5.043 1.00 0.00 C ATOM 0 H MET A 45 51.835 -0.472 -6.748 1.00 0.00 H new ATOM 0 HA MET A 45 50.055 1.732 -6.194 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.517 1.035 -7.630 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.520 2.046 -8.658 1.00 0.00 H new ATOM 0 HG2 MET A 45 51.671 3.885 -7.242 1.00 0.00 H new ATOM 0 HG3 MET A 45 51.688 2.903 -5.791 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.967 3.522 -4.610 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.891 4.863 -5.068 1.00 0.00 H new ATOM 0 HE3 MET A 45 53.204 3.348 -4.436 1.00 0.00 H new ATOM 697 N ARG A 46 49.435 0.065 -8.959 1.00 0.00 N ATOM 698 CA ARG A 46 48.382 -0.125 -10.004 1.00 0.00 C ATOM 699 C ARG A 46 47.038 -0.442 -9.333 1.00 0.00 C ATOM 700 O ARG A 46 45.996 0.009 -9.771 1.00 0.00 O ATOM 701 CB ARG A 46 48.868 -1.314 -10.844 1.00 0.00 C ATOM 702 CG ARG A 46 47.968 -1.491 -12.072 1.00 0.00 C ATOM 703 CD ARG A 46 48.219 -0.347 -13.059 1.00 0.00 C ATOM 704 NE ARG A 46 46.913 0.366 -13.163 1.00 0.00 N ATOM 705 CZ ARG A 46 46.857 1.647 -12.954 1.00 0.00 C ATOM 706 NH1 ARG A 46 47.207 2.476 -13.895 1.00 0.00 N ATOM 707 NH2 ARG A 46 46.451 2.098 -11.803 1.00 0.00 N ATOM 0 H ARG A 46 50.209 -0.598 -9.004 1.00 0.00 H new ATOM 0 HA ARG A 46 48.231 0.764 -10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 46 49.899 -1.150 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 46 48.859 -2.223 -10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.172 -2.449 -12.550 1.00 0.00 H new ATOM 0 HG3 ARG A 46 46.921 -1.502 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 46 49.005 0.318 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 46 48.540 -0.726 -14.029 1.00 0.00 H new ATOM 0 HE ARG A 46 46.066 -0.151 -13.398 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.525 2.120 -14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.163 3.482 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.178 1.446 -11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.406 3.103 -11.636 1.00 0.00 H new ATOM 721 N MET A 47 47.065 -1.204 -8.263 1.00 0.00 N ATOM 722 CA MET A 47 45.803 -1.547 -7.536 1.00 0.00 C ATOM 723 C MET A 47 45.211 -0.289 -6.889 1.00 0.00 C ATOM 724 O MET A 47 44.010 -0.098 -6.873 1.00 0.00 O ATOM 725 CB MET A 47 46.221 -2.558 -6.461 1.00 0.00 C ATOM 726 CG MET A 47 44.986 -3.037 -5.695 1.00 0.00 C ATOM 727 SD MET A 47 45.257 -4.729 -5.113 1.00 0.00 S ATOM 728 CE MET A 47 46.201 -4.317 -3.624 1.00 0.00 C ATOM 0 H MET A 47 47.913 -1.604 -7.862 1.00 0.00 H new ATOM 0 HA MET A 47 45.041 -1.954 -8.201 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.726 -3.406 -6.923 1.00 0.00 H new ATOM 0 HB3 MET A 47 46.932 -2.099 -5.774 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.790 -2.377 -4.850 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.108 -2.999 -6.339 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.476 -5.234 -3.102 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.104 -3.774 -3.904 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.592 -3.695 -2.968 1.00 0.00 H new ATOM 738 N LEU A 48 46.048 0.573 -6.359 1.00 0.00 N ATOM 739 CA LEU A 48 45.540 1.822 -5.719 1.00 0.00 C ATOM 740 C LEU A 48 44.960 2.767 -6.781 1.00 0.00 C ATOM 741 O LEU A 48 43.974 3.441 -6.547 1.00 0.00 O ATOM 742 CB LEU A 48 46.766 2.447 -5.045 1.00 0.00 C ATOM 743 CG LEU A 48 46.352 3.735 -4.335 1.00 0.00 C ATOM 744 CD1 LEU A 48 45.947 3.421 -2.894 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.525 4.719 -4.336 1.00 0.00 C ATOM 0 H LEU A 48 47.062 0.462 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 48 44.740 1.626 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.198 1.747 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 48 47.535 2.659 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 48 45.505 4.180 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.652 4.341 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.109 2.724 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 48 46.791 2.974 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.230 5.638 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.373 4.274 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 48 47.808 4.946 -5.364 1.00 0.00 H new ATOM 757 N GLY A 49 45.562 2.819 -7.945 1.00 0.00 N ATOM 758 CA GLY A 49 45.045 3.718 -9.021 1.00 0.00 C ATOM 759 C GLY A 49 46.195 4.529 -9.624 1.00 0.00 C ATOM 760 O GLY A 49 46.249 4.740 -10.821 1.00 0.00 O ATOM 0 H GLY A 49 46.389 2.277 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.560 3.127 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 49 44.290 4.390 -8.613 1.00 0.00 H new ATOM 764 N GLN A 50 47.115 4.987 -8.810 1.00 0.00 N ATOM 765 CA GLN A 50 48.258 5.791 -9.348 1.00 0.00 C ATOM 766 C GLN A 50 49.416 4.872 -9.768 1.00 0.00 C ATOM 767 O GLN A 50 50.110 4.311 -8.941 1.00 0.00 O ATOM 768 CB GLN A 50 48.679 6.720 -8.201 1.00 0.00 C ATOM 769 CG GLN A 50 47.514 7.656 -7.846 1.00 0.00 C ATOM 770 CD GLN A 50 48.041 9.056 -7.512 1.00 0.00 C ATOM 771 OE1 GLN A 50 47.833 9.988 -8.262 1.00 0.00 O ATOM 772 NE2 GLN A 50 48.710 9.249 -6.409 1.00 0.00 N ATOM 0 H GLN A 50 47.125 4.840 -7.801 1.00 0.00 H new ATOM 0 HA GLN A 50 47.976 6.356 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.966 6.132 -7.329 1.00 0.00 H new ATOM 0 HB3 GLN A 50 49.552 7.303 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 50 46.816 7.712 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 50 46.962 7.255 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 50 48.887 8.469 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 50 49.056 10.180 -6.179 1.00 0.00 H new ATOM 781 N ASN A 51 49.626 4.719 -11.054 1.00 0.00 N ATOM 782 CA ASN A 51 50.738 3.843 -11.547 1.00 0.00 C ATOM 783 C ASN A 51 51.150 4.258 -12.971 1.00 0.00 C ATOM 784 O ASN A 51 50.482 3.912 -13.929 1.00 0.00 O ATOM 785 CB ASN A 51 50.161 2.422 -11.542 1.00 0.00 C ATOM 786 CG ASN A 51 51.234 1.430 -12.000 1.00 0.00 C ATOM 787 OD1 ASN A 51 51.157 0.894 -13.086 1.00 0.00 O ATOM 788 ND2 ASN A 51 52.239 1.160 -11.215 1.00 0.00 N ATOM 0 H ASN A 51 49.073 5.165 -11.786 1.00 0.00 H new ATOM 0 HA ASN A 51 51.630 3.919 -10.925 1.00 0.00 H new ATOM 0 HB2 ASN A 51 49.815 2.163 -10.541 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.296 2.368 -12.202 1.00 0.00 H new ATOM 0 HD21 ASN A 51 52.957 0.500 -11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 51 52.307 1.608 -10.301 1.00 0.00 H new ATOM 795 N PRO A 52 52.237 4.995 -13.063 1.00 0.00 N ATOM 796 CA PRO A 52 52.734 5.457 -14.385 1.00 0.00 C ATOM 797 C PRO A 52 53.507 4.335 -15.114 1.00 0.00 C ATOM 798 O PRO A 52 52.933 3.580 -15.874 1.00 0.00 O ATOM 799 CB PRO A 52 53.645 6.631 -14.029 1.00 0.00 C ATOM 800 CG PRO A 52 54.094 6.381 -12.620 1.00 0.00 C ATOM 801 CD PRO A 52 53.087 5.466 -11.961 1.00 0.00 C ATOM 0 HA PRO A 52 51.933 5.739 -15.069 1.00 0.00 H new ATOM 0 HB2 PRO A 52 54.496 6.686 -14.708 1.00 0.00 H new ATOM 0 HB3 PRO A 52 53.112 7.579 -14.108 1.00 0.00 H new ATOM 0 HG2 PRO A 52 55.084 5.926 -12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 52 54.170 7.320 -12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.578 4.634 -11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.503 5.996 -11.208 1.00 0.00 H new ATOM 809 N THR A 53 54.803 4.227 -14.902 1.00 0.00 N ATOM 810 CA THR A 53 55.601 3.169 -15.596 1.00 0.00 C ATOM 811 C THR A 53 56.424 2.354 -14.584 1.00 0.00 C ATOM 812 O THR A 53 56.587 2.759 -13.450 1.00 0.00 O ATOM 813 CB THR A 53 56.533 3.939 -16.540 1.00 0.00 C ATOM 814 OG1 THR A 53 57.047 5.093 -15.882 1.00 0.00 O ATOM 815 CG2 THR A 53 55.760 4.364 -17.791 1.00 0.00 C ATOM 0 H THR A 53 55.339 4.829 -14.277 1.00 0.00 H new ATOM 0 HA THR A 53 54.965 2.459 -16.125 1.00 0.00 H new ATOM 0 HB THR A 53 57.362 3.293 -16.827 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.642 5.578 -16.490 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.424 4.911 -18.461 1.00 0.00 H new ATOM 0 HG22 THR A 53 55.379 3.479 -18.301 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.926 5.005 -17.503 1.00 0.00 H new ATOM 823 N PRO A 54 56.931 1.227 -15.037 1.00 0.00 N ATOM 824 CA PRO A 54 57.758 0.350 -14.160 1.00 0.00 C ATOM 825 C PRO A 54 59.107 1.015 -13.832 1.00 0.00 C ATOM 826 O PRO A 54 59.655 0.822 -12.763 1.00 0.00 O ATOM 827 CB PRO A 54 57.947 -0.917 -14.994 1.00 0.00 C ATOM 828 CG PRO A 54 57.775 -0.473 -16.411 1.00 0.00 C ATOM 829 CD PRO A 54 56.789 0.667 -16.390 1.00 0.00 C ATOM 0 HA PRO A 54 57.292 0.149 -13.195 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.933 -1.353 -14.833 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.215 -1.679 -14.727 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.727 -0.154 -16.835 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.408 -1.291 -17.031 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.018 1.408 -17.156 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.772 0.320 -16.575 1.00 0.00 H new ATOM 837 N GLU A 55 59.638 1.805 -14.736 1.00 0.00 N ATOM 838 CA GLU A 55 60.942 2.493 -14.466 1.00 0.00 C ATOM 839 C GLU A 55 60.768 3.533 -13.350 1.00 0.00 C ATOM 840 O GLU A 55 61.690 3.815 -12.606 1.00 0.00 O ATOM 841 CB GLU A 55 61.320 3.180 -15.783 1.00 0.00 C ATOM 842 CG GLU A 55 61.476 2.129 -16.890 1.00 0.00 C ATOM 843 CD GLU A 55 60.427 2.368 -17.979 1.00 0.00 C ATOM 844 OE1 GLU A 55 59.252 2.206 -17.690 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.817 2.707 -19.083 1.00 0.00 O ATOM 0 H GLU A 55 59.226 2.003 -15.648 1.00 0.00 H new ATOM 0 HA GLU A 55 61.713 1.795 -14.139 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.553 3.903 -16.060 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.251 3.734 -15.661 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.477 2.183 -17.318 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.361 1.128 -16.474 1.00 0.00 H new ATOM 852 N GLU A 56 59.588 4.097 -13.226 1.00 0.00 N ATOM 853 CA GLU A 56 59.334 5.115 -12.156 1.00 0.00 C ATOM 854 C GLU A 56 59.646 4.532 -10.767 1.00 0.00 C ATOM 855 O GLU A 56 60.140 5.223 -9.896 1.00 0.00 O ATOM 856 CB GLU A 56 57.843 5.450 -12.279 1.00 0.00 C ATOM 857 CG GLU A 56 57.524 6.712 -11.466 1.00 0.00 C ATOM 858 CD GLU A 56 56.807 6.338 -10.162 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.903 5.518 -10.209 1.00 0.00 O ATOM 860 OE2 GLU A 56 57.173 6.884 -9.136 1.00 0.00 O ATOM 0 H GLU A 56 58.787 3.894 -13.823 1.00 0.00 H new ATOM 0 HA GLU A 56 59.964 5.997 -12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.581 5.605 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.242 4.614 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.445 7.250 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 56 56.898 7.383 -12.054 1.00 0.00 H new ATOM 867 N LEU A 57 59.367 3.265 -10.558 1.00 0.00 N ATOM 868 CA LEU A 57 59.649 2.641 -9.225 1.00 0.00 C ATOM 869 C LEU A 57 61.162 2.510 -8.991 1.00 0.00 C ATOM 870 O LEU A 57 61.618 2.544 -7.865 1.00 0.00 O ATOM 871 CB LEU A 57 59.000 1.252 -9.258 1.00 0.00 C ATOM 872 CG LEU A 57 57.463 1.348 -9.351 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.958 2.652 -8.725 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.032 1.290 -10.820 1.00 0.00 C ATOM 0 H LEU A 57 58.958 2.639 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 57 59.251 3.254 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.383 0.691 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.277 0.698 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 57 57.033 0.509 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.872 2.696 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.248 2.688 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.394 3.501 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.946 1.358 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.480 2.122 -11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.363 0.349 -11.259 1.00 0.00 H new ATOM 886 N GLN A 58 61.946 2.361 -10.036 1.00 0.00 N ATOM 887 CA GLN A 58 63.427 2.238 -9.849 1.00 0.00 C ATOM 888 C GLN A 58 63.949 3.463 -9.092 1.00 0.00 C ATOM 889 O GLN A 58 64.641 3.338 -8.102 1.00 0.00 O ATOM 890 CB GLN A 58 64.016 2.175 -11.261 1.00 0.00 C ATOM 891 CG GLN A 58 64.959 0.975 -11.364 1.00 0.00 C ATOM 892 CD GLN A 58 66.364 1.380 -10.905 1.00 0.00 C ATOM 893 OE1 GLN A 58 67.232 1.622 -11.717 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.627 1.463 -9.630 1.00 0.00 N ATOM 0 H GLN A 58 61.625 2.320 -11.003 1.00 0.00 H new ATOM 0 HA GLN A 58 63.703 1.357 -9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.217 2.088 -11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.555 3.096 -11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.588 0.155 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.992 0.614 -12.392 1.00 0.00 H new ATOM 0 HE21 GLN A 58 65.899 1.260 -8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.561 1.731 -9.318 1.00 0.00 H new ATOM 903 N GLU A 59 63.591 4.646 -9.530 1.00 0.00 N ATOM 904 CA GLU A 59 64.033 5.876 -8.804 1.00 0.00 C ATOM 905 C GLU A 59 63.396 5.870 -7.407 1.00 0.00 C ATOM 906 O GLU A 59 64.017 6.235 -6.427 1.00 0.00 O ATOM 907 CB GLU A 59 63.515 7.048 -9.648 1.00 0.00 C ATOM 908 CG GLU A 59 63.673 8.366 -8.876 1.00 0.00 C ATOM 909 CD GLU A 59 62.307 8.829 -8.360 1.00 0.00 C ATOM 910 OE1 GLU A 59 61.561 9.392 -9.144 1.00 0.00 O ATOM 911 OE2 GLU A 59 62.032 8.613 -7.192 1.00 0.00 O ATOM 0 H GLU A 59 63.015 4.812 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 59 65.113 5.941 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 59 64.065 7.100 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.467 6.889 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 59 64.361 8.230 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 59 64.105 9.129 -9.524 1.00 0.00 H new ATOM 918 N MET A 60 62.162 5.425 -7.319 1.00 0.00 N ATOM 919 CA MET A 60 61.464 5.354 -5.998 1.00 0.00 C ATOM 920 C MET A 60 62.252 4.455 -5.032 1.00 0.00 C ATOM 921 O MET A 60 62.366 4.746 -3.856 1.00 0.00 O ATOM 922 CB MET A 60 60.089 4.739 -6.303 1.00 0.00 C ATOM 923 CG MET A 60 59.233 5.750 -7.071 1.00 0.00 C ATOM 924 SD MET A 60 58.020 6.486 -5.949 1.00 0.00 S ATOM 925 CE MET A 60 56.775 5.179 -6.075 1.00 0.00 C ATOM 0 H MET A 60 61.607 5.106 -8.113 1.00 0.00 H new ATOM 0 HA MET A 60 61.376 6.332 -5.525 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.209 3.828 -6.890 1.00 0.00 H new ATOM 0 HB3 MET A 60 59.592 4.457 -5.375 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.866 6.527 -7.500 1.00 0.00 H new ATOM 0 HG3 MET A 60 58.726 5.258 -7.900 1.00 0.00 H new ATOM 0 HE1 MET A 60 55.794 5.626 -6.235 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.017 4.525 -6.913 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.763 4.598 -5.153 1.00 0.00 H new ATOM 935 N ILE A 61 62.801 3.369 -5.525 1.00 0.00 N ATOM 936 CA ILE A 61 63.589 2.448 -4.645 1.00 0.00 C ATOM 937 C ILE A 61 64.983 3.035 -4.358 1.00 0.00 C ATOM 938 O ILE A 61 65.581 2.752 -3.336 1.00 0.00 O ATOM 939 CB ILE A 61 63.678 1.122 -5.425 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.718 -0.042 -4.435 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.937 1.079 -6.303 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.405 -1.346 -5.168 1.00 0.00 C ATOM 0 H ILE A 61 62.737 3.081 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 61 63.120 2.302 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 61 62.803 1.043 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.701 -0.102 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.995 0.121 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.973 0.132 -6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 61 64.911 1.902 -7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.822 1.173 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.434 -2.176 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.413 -1.283 -5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.145 -1.510 -5.951 1.00 0.00 H new ATOM 954 N ASP A 62 65.497 3.854 -5.248 1.00 0.00 N ATOM 955 CA ASP A 62 66.846 4.468 -5.031 1.00 0.00 C ATOM 956 C ASP A 62 66.838 5.355 -3.774 1.00 0.00 C ATOM 957 O ASP A 62 67.864 5.566 -3.155 1.00 0.00 O ATOM 958 CB ASP A 62 67.106 5.306 -6.289 1.00 0.00 C ATOM 959 CG ASP A 62 68.607 5.351 -6.579 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.152 4.323 -6.946 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.185 6.415 -6.433 1.00 0.00 O ATOM 0 H ASP A 62 65.037 4.124 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 62 67.621 3.717 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.575 4.878 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 62 66.723 6.317 -6.150 1.00 0.00 H new ATOM 966 N GLU A 63 65.686 5.863 -3.393 1.00 0.00 N ATOM 967 CA GLU A 63 65.588 6.729 -2.171 1.00 0.00 C ATOM 968 C GLU A 63 66.328 6.091 -0.984 1.00 0.00 C ATOM 969 O GLU A 63 67.024 6.763 -0.244 1.00 0.00 O ATOM 970 CB GLU A 63 64.087 6.813 -1.880 1.00 0.00 C ATOM 971 CG GLU A 63 63.765 8.126 -1.161 1.00 0.00 C ATOM 972 CD GLU A 63 62.254 8.222 -0.927 1.00 0.00 C ATOM 973 OE1 GLU A 63 61.789 7.664 0.055 1.00 0.00 O ATOM 974 OE2 GLU A 63 61.589 8.852 -1.733 1.00 0.00 O ATOM 0 H GLU A 63 64.803 5.713 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 63 66.041 7.708 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.524 6.751 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.780 5.967 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 63 64.295 8.172 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.106 8.973 -1.757 1.00 0.00 H new ATOM 981 N VAL A 64 66.182 4.800 -0.798 1.00 0.00 N ATOM 982 CA VAL A 64 66.878 4.118 0.340 1.00 0.00 C ATOM 983 C VAL A 64 67.684 2.908 -0.158 1.00 0.00 C ATOM 984 O VAL A 64 67.870 1.944 0.560 1.00 0.00 O ATOM 985 CB VAL A 64 65.761 3.669 1.298 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.041 4.896 1.860 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.751 2.781 0.558 1.00 0.00 C ATOM 0 H VAL A 64 65.612 4.190 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 64 67.588 4.783 0.831 1.00 0.00 H new ATOM 0 HB VAL A 64 66.206 3.099 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.250 4.575 2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.753 5.519 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.606 5.469 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.966 2.470 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.309 3.341 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.260 1.900 0.166 1.00 0.00 H new ATOM 997 N ASP A 65 68.173 2.953 -1.375 1.00 0.00 N ATOM 998 CA ASP A 65 68.972 1.806 -1.904 1.00 0.00 C ATOM 999 C ASP A 65 70.391 2.277 -2.275 1.00 0.00 C ATOM 1000 O ASP A 65 71.246 2.379 -1.416 1.00 0.00 O ATOM 1001 CB ASP A 65 68.191 1.302 -3.129 1.00 0.00 C ATOM 1002 CG ASP A 65 68.844 0.029 -3.675 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.481 -1.041 -3.220 1.00 0.00 O ATOM 1004 OD2 ASP A 65 69.696 0.144 -4.540 1.00 0.00 O ATOM 0 H ASP A 65 68.053 3.733 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 65 69.102 1.008 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.156 1.101 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.172 2.071 -3.901 1.00 0.00 H new ATOM 1009 N GLU A 66 70.648 2.564 -3.537 1.00 0.00 N ATOM 1010 CA GLU A 66 72.012 3.026 -3.962 1.00 0.00 C ATOM 1011 C GLU A 66 73.110 2.126 -3.364 1.00 0.00 C ATOM 1012 O GLU A 66 74.182 2.587 -3.018 1.00 0.00 O ATOM 1013 CB GLU A 66 72.126 4.460 -3.432 1.00 0.00 C ATOM 1014 CG GLU A 66 71.706 5.447 -4.527 1.00 0.00 C ATOM 1015 CD GLU A 66 72.934 5.881 -5.331 1.00 0.00 C ATOM 1016 OE1 GLU A 66 73.377 5.106 -6.163 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.411 6.979 -5.099 1.00 0.00 O ATOM 0 H GLU A 66 69.966 2.497 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 66 72.141 2.980 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.493 4.585 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.150 4.663 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 70.973 4.982 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 66 71.226 6.318 -4.080 1.00 0.00 H new ATOM 1024 N ASP A 67 72.848 0.847 -3.239 1.00 0.00 N ATOM 1025 CA ASP A 67 73.869 -0.081 -2.659 1.00 0.00 C ATOM 1026 C ASP A 67 74.367 -1.096 -3.709 1.00 0.00 C ATOM 1027 O ASP A 67 75.101 -2.012 -3.389 1.00 0.00 O ATOM 1028 CB ASP A 67 73.143 -0.782 -1.495 1.00 0.00 C ATOM 1029 CG ASP A 67 72.216 -1.892 -2.009 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.526 -1.669 -2.990 1.00 0.00 O ATOM 1031 OD2 ASP A 67 72.194 -2.945 -1.396 1.00 0.00 O ATOM 0 H ASP A 67 71.970 0.406 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 67 74.761 0.448 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.876 -1.205 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.563 -0.051 -0.932 1.00 0.00 H new ATOM 1036 N GLY A 68 73.979 -0.939 -4.957 1.00 0.00 N ATOM 1037 CA GLY A 68 74.436 -1.895 -6.015 1.00 0.00 C ATOM 1038 C GLY A 68 73.355 -2.951 -6.287 1.00 0.00 C ATOM 1039 O GLY A 68 73.279 -3.498 -7.369 1.00 0.00 O ATOM 0 H GLY A 68 73.367 -0.191 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.661 -1.351 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.358 -2.383 -5.699 1.00 0.00 H new ATOM 1043 N SER A 69 72.525 -3.247 -5.316 1.00 0.00 N ATOM 1044 CA SER A 69 71.456 -4.276 -5.522 1.00 0.00 C ATOM 1045 C SER A 69 70.253 -3.679 -6.273 1.00 0.00 C ATOM 1046 O SER A 69 69.702 -4.302 -7.159 1.00 0.00 O ATOM 1047 CB SER A 69 71.071 -4.738 -4.105 1.00 0.00 C ATOM 1048 OG SER A 69 69.701 -4.450 -3.841 1.00 0.00 O ATOM 0 H SER A 69 72.541 -2.821 -4.389 1.00 0.00 H new ATOM 0 HA SER A 69 71.798 -5.110 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.250 -5.809 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.702 -4.239 -3.369 1.00 0.00 H new ATOM 0 HG SER A 69 69.622 -4.005 -2.972 1.00 0.00 H new ATOM 1054 N GLY A 70 69.842 -2.481 -5.929 1.00 0.00 N ATOM 1055 CA GLY A 70 68.675 -1.854 -6.630 1.00 0.00 C ATOM 1056 C GLY A 70 67.346 -2.381 -6.061 1.00 0.00 C ATOM 1057 O GLY A 70 66.287 -2.077 -6.579 1.00 0.00 O ATOM 0 H GLY A 70 70.263 -1.911 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.718 -0.770 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.729 -2.068 -7.697 1.00 0.00 H new ATOM 1061 N THR A 71 67.385 -3.157 -5.003 1.00 0.00 N ATOM 1062 CA THR A 71 66.119 -3.691 -4.406 1.00 0.00 C ATOM 1063 C THR A 71 66.040 -3.307 -2.926 1.00 0.00 C ATOM 1064 O THR A 71 67.032 -3.331 -2.220 1.00 0.00 O ATOM 1065 CB THR A 71 66.191 -5.217 -4.553 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.761 -5.556 -5.811 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.781 -5.800 -4.463 1.00 0.00 C ATOM 0 H THR A 71 68.240 -3.444 -4.527 1.00 0.00 H new ATOM 0 HA THR A 71 65.237 -3.285 -4.902 1.00 0.00 H new ATOM 0 HB THR A 71 66.812 -5.626 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.806 -6.531 -5.898 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.828 -6.884 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.344 -5.547 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.164 -5.385 -5.260 1.00 0.00 H new ATOM 1075 N VAL A 72 64.874 -2.951 -2.452 1.00 0.00 N ATOM 1076 CA VAL A 72 64.740 -2.558 -1.016 1.00 0.00 C ATOM 1077 C VAL A 72 64.358 -3.772 -0.153 1.00 0.00 C ATOM 1078 O VAL A 72 63.356 -4.425 -0.386 1.00 0.00 O ATOM 1079 CB VAL A 72 63.638 -1.484 -0.992 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.978 -1.426 0.392 1.00 0.00 C ATOM 1081 CG2 VAL A 72 64.259 -0.119 -1.302 1.00 0.00 C ATOM 0 H VAL A 72 64.011 -2.915 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 72 65.676 -2.179 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 72 62.884 -1.736 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 72 62.201 -0.662 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.535 -2.394 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.729 -1.181 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 72 63.483 0.646 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.015 0.116 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.722 -0.146 -2.288 1.00 0.00 H new ATOM 1091 N ASP A 73 65.149 -4.065 0.850 1.00 0.00 N ATOM 1092 CA ASP A 73 64.841 -5.219 1.747 1.00 0.00 C ATOM 1093 C ASP A 73 64.121 -4.714 3.014 1.00 0.00 C ATOM 1094 O ASP A 73 63.626 -3.604 3.047 1.00 0.00 O ATOM 1095 CB ASP A 73 66.212 -5.841 2.072 1.00 0.00 C ATOM 1096 CG ASP A 73 66.832 -5.169 3.303 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.112 -3.986 3.234 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.009 -5.853 4.297 1.00 0.00 O ATOM 0 H ASP A 73 65.998 -3.551 1.086 1.00 0.00 H new ATOM 0 HA ASP A 73 64.177 -5.953 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.099 -6.910 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.879 -5.732 1.217 1.00 0.00 H new ATOM 1103 N PHE A 74 64.064 -5.512 4.054 1.00 0.00 N ATOM 1104 CA PHE A 74 63.379 -5.063 5.310 1.00 0.00 C ATOM 1105 C PHE A 74 64.128 -3.878 5.936 1.00 0.00 C ATOM 1106 O PHE A 74 63.526 -2.898 6.326 1.00 0.00 O ATOM 1107 CB PHE A 74 63.403 -6.280 6.243 1.00 0.00 C ATOM 1108 CG PHE A 74 62.487 -6.040 7.425 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.193 -5.533 7.226 1.00 0.00 C ATOM 1110 CD2 PHE A 74 62.931 -6.327 8.721 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.350 -5.315 8.321 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.086 -6.109 9.816 1.00 0.00 C ATOM 1113 CZ PHE A 74 60.796 -5.603 9.616 1.00 0.00 C ATOM 0 H PHE A 74 64.460 -6.451 4.088 1.00 0.00 H new ATOM 0 HA PHE A 74 62.361 -4.723 5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.086 -7.171 5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.420 -6.463 6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.848 -5.311 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 74 63.926 -6.717 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.355 -4.924 8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.430 -6.331 10.815 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.145 -5.435 10.461 1.00 0.00 H new ATOM 1123 N ASP A 75 65.436 -3.956 6.023 1.00 0.00 N ATOM 1124 CA ASP A 75 66.223 -2.825 6.612 1.00 0.00 C ATOM 1125 C ASP A 75 65.991 -1.545 5.798 1.00 0.00 C ATOM 1126 O ASP A 75 65.659 -0.508 6.342 1.00 0.00 O ATOM 1127 CB ASP A 75 67.688 -3.267 6.521 1.00 0.00 C ATOM 1128 CG ASP A 75 68.563 -2.324 7.351 1.00 0.00 C ATOM 1129 OD1 ASP A 75 68.712 -2.575 8.534 1.00 0.00 O ATOM 1130 OD2 ASP A 75 69.068 -1.365 6.790 1.00 0.00 O ATOM 0 H ASP A 75 65.991 -4.753 5.712 1.00 0.00 H new ATOM 0 HA ASP A 75 65.931 -2.607 7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.793 -4.290 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.016 -3.262 5.481 1.00 0.00 H new ATOM 1135 N GLU A 76 66.146 -1.618 4.497 1.00 0.00 N ATOM 1136 CA GLU A 76 65.918 -0.413 3.637 1.00 0.00 C ATOM 1137 C GLU A 76 64.457 0.038 3.762 1.00 0.00 C ATOM 1138 O GLU A 76 64.167 1.216 3.854 1.00 0.00 O ATOM 1139 CB GLU A 76 66.229 -0.875 2.208 1.00 0.00 C ATOM 1140 CG GLU A 76 67.742 -1.079 2.057 1.00 0.00 C ATOM 1141 CD GLU A 76 68.054 -1.701 0.694 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.898 -2.903 0.557 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.458 -0.970 -0.191 1.00 0.00 O ATOM 0 H GLU A 76 66.421 -2.461 3.993 1.00 0.00 H new ATOM 0 HA GLU A 76 66.541 0.434 3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.702 -1.804 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.877 -0.134 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.258 -0.124 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.111 -1.725 2.854 1.00 0.00 H new ATOM 1150 N PHE A 77 63.540 -0.901 3.793 1.00 0.00 N ATOM 1151 CA PHE A 77 62.092 -0.554 3.942 1.00 0.00 C ATOM 1152 C PHE A 77 61.870 0.182 5.272 1.00 0.00 C ATOM 1153 O PHE A 77 61.178 1.181 5.328 1.00 0.00 O ATOM 1154 CB PHE A 77 61.367 -1.905 3.940 1.00 0.00 C ATOM 1155 CG PHE A 77 59.873 -1.697 3.990 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.202 -1.159 2.886 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.156 -2.054 5.139 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.815 -0.980 2.931 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.768 -1.877 5.182 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.098 -1.338 4.079 1.00 0.00 C ATOM 0 H PHE A 77 63.736 -1.899 3.721 1.00 0.00 H new ATOM 0 HA PHE A 77 61.730 0.102 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.633 -2.467 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.687 -2.499 4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.754 -0.882 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.674 -2.466 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.297 -0.565 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.215 -2.157 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 77 56.028 -1.198 4.113 1.00 0.00 H new ATOM 1170 N LEU A 78 62.467 -0.302 6.338 1.00 0.00 N ATOM 1171 CA LEU A 78 62.308 0.371 7.669 1.00 0.00 C ATOM 1172 C LEU A 78 62.960 1.757 7.639 1.00 0.00 C ATOM 1173 O LEU A 78 62.397 2.724 8.118 1.00 0.00 O ATOM 1174 CB LEU A 78 63.031 -0.530 8.675 1.00 0.00 C ATOM 1175 CG LEU A 78 62.181 -1.765 8.980 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.005 -2.751 9.807 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.940 -1.353 9.776 1.00 0.00 C ATOM 0 H LEU A 78 63.057 -1.134 6.343 1.00 0.00 H new ATOM 0 HA LEU A 78 61.259 0.509 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.998 -0.834 8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 78 63.227 0.022 9.594 1.00 0.00 H new ATOM 0 HG LEU A 78 61.873 -2.233 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.404 -3.633 10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.891 -3.047 9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 78 63.310 -2.278 10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.337 -2.235 9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.247 -0.885 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.352 -0.645 9.192 1.00 0.00 H new ATOM 1189 N VAL A 79 64.138 1.859 7.070 1.00 0.00 N ATOM 1190 CA VAL A 79 64.828 3.185 6.992 1.00 0.00 C ATOM 1191 C VAL A 79 63.956 4.167 6.200 1.00 0.00 C ATOM 1192 O VAL A 79 63.761 5.298 6.597 1.00 0.00 O ATOM 1193 CB VAL A 79 66.151 2.906 6.264 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.811 4.225 5.854 1.00 0.00 C ATOM 1195 CG2 VAL A 79 67.093 2.144 7.200 1.00 0.00 C ATOM 0 H VAL A 79 64.651 1.081 6.656 1.00 0.00 H new ATOM 0 HA VAL A 79 65.003 3.631 7.971 1.00 0.00 H new ATOM 0 HB VAL A 79 65.950 2.311 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 79 67.749 4.018 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 79 66.145 4.774 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 79 67.010 4.824 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 79 68.033 1.944 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 79 67.286 2.744 8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.631 1.201 7.492 1.00 0.00 H new ATOM 1205 N MET A 80 63.413 3.727 5.092 1.00 0.00 N ATOM 1206 CA MET A 80 62.530 4.615 4.275 1.00 0.00 C ATOM 1207 C MET A 80 61.285 5.009 5.086 1.00 0.00 C ATOM 1208 O MET A 80 60.833 6.136 5.032 1.00 0.00 O ATOM 1209 CB MET A 80 62.136 3.767 3.063 1.00 0.00 C ATOM 1210 CG MET A 80 61.429 4.642 2.026 1.00 0.00 C ATOM 1211 SD MET A 80 59.927 3.805 1.461 1.00 0.00 S ATOM 1212 CE MET A 80 58.785 4.542 2.657 1.00 0.00 C ATOM 0 H MET A 80 63.544 2.787 4.717 1.00 0.00 H new ATOM 0 HA MET A 80 63.025 5.541 3.982 1.00 0.00 H new ATOM 0 HB2 MET A 80 63.023 3.311 2.623 1.00 0.00 H new ATOM 0 HB3 MET A 80 61.480 2.954 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 80 61.178 5.610 2.460 1.00 0.00 H new ATOM 0 HG3 MET A 80 62.092 4.833 1.182 1.00 0.00 H new ATOM 0 HE1 MET A 80 57.760 4.299 2.379 1.00 0.00 H new ATOM 0 HE2 MET A 80 58.995 4.147 3.651 1.00 0.00 H new ATOM 0 HE3 MET A 80 58.912 5.625 2.662 1.00 0.00 H new ATOM 1222 N MET A 81 60.734 4.082 5.837 1.00 0.00 N ATOM 1223 CA MET A 81 59.519 4.388 6.658 1.00 0.00 C ATOM 1224 C MET A 81 59.827 5.473 7.703 1.00 0.00 C ATOM 1225 O MET A 81 59.056 6.396 7.885 1.00 0.00 O ATOM 1226 CB MET A 81 59.153 3.066 7.344 1.00 0.00 C ATOM 1227 CG MET A 81 58.367 2.179 6.373 1.00 0.00 C ATOM 1228 SD MET A 81 56.748 2.927 6.051 1.00 0.00 S ATOM 1229 CE MET A 81 56.422 2.108 4.471 1.00 0.00 C ATOM 0 H MET A 81 61.076 3.124 5.916 1.00 0.00 H new ATOM 0 HA MET A 81 58.702 4.769 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 81 60.057 2.552 7.670 1.00 0.00 H new ATOM 0 HB3 MET A 81 58.558 3.261 8.236 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.919 2.064 5.440 1.00 0.00 H new ATOM 0 HG3 MET A 81 58.242 1.182 6.794 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.865 2.782 3.820 1.00 0.00 H new ATOM 0 HE2 MET A 81 57.367 1.844 3.996 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.838 1.204 4.643 1.00 0.00 H new ATOM 1239 N VAL A 82 60.949 5.379 8.383 1.00 0.00 N ATOM 1240 CA VAL A 82 61.292 6.423 9.404 1.00 0.00 C ATOM 1241 C VAL A 82 61.637 7.753 8.712 1.00 0.00 C ATOM 1242 O VAL A 82 61.458 8.816 9.277 1.00 0.00 O ATOM 1243 CB VAL A 82 62.488 5.862 10.199 1.00 0.00 C ATOM 1244 CG1 VAL A 82 63.808 6.101 9.454 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.547 6.552 11.564 1.00 0.00 C ATOM 0 H VAL A 82 61.635 4.632 8.276 1.00 0.00 H new ATOM 0 HA VAL A 82 60.456 6.635 10.070 1.00 0.00 H new ATOM 0 HB VAL A 82 62.352 4.787 10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 82 64.634 5.695 10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 82 63.773 5.607 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 82 63.956 7.171 9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.390 6.161 12.133 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.670 7.626 11.424 1.00 0.00 H new ATOM 0 HG23 VAL A 82 61.622 6.361 12.108 1.00 0.00 H new ATOM 1255 N ARG A 83 62.107 7.704 7.486 1.00 0.00 N ATOM 1256 CA ARG A 83 62.433 8.966 6.754 1.00 0.00 C ATOM 1257 C ARG A 83 61.134 9.648 6.309 1.00 0.00 C ATOM 1258 O ARG A 83 61.040 10.858 6.277 1.00 0.00 O ATOM 1259 CB ARG A 83 63.258 8.534 5.540 1.00 0.00 C ATOM 1260 CG ARG A 83 64.698 8.263 5.975 1.00 0.00 C ATOM 1261 CD ARG A 83 65.360 7.296 4.990 1.00 0.00 C ATOM 1262 NE ARG A 83 66.505 8.053 4.406 1.00 0.00 N ATOM 1263 CZ ARG A 83 67.005 7.694 3.259 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.427 8.066 2.152 1.00 0.00 N ATOM 1265 NH2 ARG A 83 68.077 6.957 3.225 1.00 0.00 N ATOM 0 H ARG A 83 62.278 6.845 6.964 1.00 0.00 H new ATOM 0 HA ARG A 83 62.981 9.676 7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 83 62.827 7.638 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 83 63.237 9.312 4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 83 65.258 9.197 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 64.711 7.840 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 83 65.702 6.393 5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 83 64.660 6.982 4.216 1.00 0.00 H new ATOM 0 HE ARG A 83 66.896 8.852 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 83 65.583 8.638 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 66.818 7.785 1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 83 68.522 6.663 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 83 68.473 6.673 2.329 1.00 0.00 H new ATOM 1279 N CYS A 84 60.129 8.869 5.982 1.00 0.00 N ATOM 1280 CA CYS A 84 58.820 9.452 5.551 1.00 0.00 C ATOM 1281 C CYS A 84 58.082 10.089 6.744 1.00 0.00 C ATOM 1282 O CYS A 84 57.106 10.795 6.569 1.00 0.00 O ATOM 1283 CB CYS A 84 58.024 8.265 4.999 1.00 0.00 C ATOM 1284 SG CYS A 84 57.202 8.751 3.460 1.00 0.00 S ATOM 0 H CYS A 84 60.161 7.850 5.996 1.00 0.00 H new ATOM 0 HA CYS A 84 58.950 10.242 4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 84 58.689 7.421 4.817 1.00 0.00 H new ATOM 0 HB3 CYS A 84 57.285 7.937 5.730 1.00 0.00 H new ATOM 0 HG CYS A 84 56.529 7.743 2.991 1.00 0.00 H new ATOM 1290 N MET A 85 58.542 9.845 7.953 1.00 0.00 N ATOM 1291 CA MET A 85 57.876 10.429 9.163 1.00 0.00 C ATOM 1292 C MET A 85 57.836 11.968 9.100 1.00 0.00 C ATOM 1293 O MET A 85 57.020 12.594 9.749 1.00 0.00 O ATOM 1294 CB MET A 85 58.734 9.964 10.344 1.00 0.00 C ATOM 1295 CG MET A 85 57.846 9.740 11.571 1.00 0.00 C ATOM 1296 SD MET A 85 56.927 8.193 11.378 1.00 0.00 S ATOM 1297 CE MET A 85 58.290 7.064 11.752 1.00 0.00 C ATOM 0 H MET A 85 59.355 9.263 8.152 1.00 0.00 H new ATOM 0 HA MET A 85 56.839 10.105 9.245 1.00 0.00 H new ATOM 0 HB2 MET A 85 59.255 9.042 10.087 1.00 0.00 H new ATOM 0 HB3 MET A 85 59.497 10.709 10.567 1.00 0.00 H new ATOM 0 HG2 MET A 85 58.457 9.702 12.473 1.00 0.00 H new ATOM 0 HG3 MET A 85 57.154 10.574 11.689 1.00 0.00 H new ATOM 0 HE1 MET A 85 58.411 6.356 10.932 1.00 0.00 H new ATOM 0 HE2 MET A 85 59.210 7.634 11.878 1.00 0.00 H new ATOM 0 HE3 MET A 85 58.071 6.521 12.671 1.00 0.00 H new ATOM 1475 N SER B 149 52.158 7.237 1.892 1.00 0.00 N ATOM 1476 CA SER B 149 52.429 7.246 3.363 1.00 0.00 C ATOM 1477 C SER B 149 52.307 5.828 3.938 1.00 0.00 C ATOM 1478 O SER B 149 51.682 4.961 3.355 1.00 0.00 O ATOM 1479 CB SER B 149 51.369 8.170 3.968 1.00 0.00 C ATOM 1480 OG SER B 149 50.074 7.634 3.725 1.00 0.00 O ATOM 0 HA SER B 149 53.438 7.591 3.589 1.00 0.00 H new ATOM 0 HB2 SER B 149 51.534 8.277 5.040 1.00 0.00 H new ATOM 0 HB3 SER B 149 51.449 9.166 3.533 1.00 0.00 H new ATOM 0 HG SER B 149 49.397 8.226 4.114 1.00 0.00 H new ATOM 1486 N ALA B 150 52.909 5.589 5.077 1.00 0.00 N ATOM 1487 CA ALA B 150 52.846 4.229 5.703 1.00 0.00 C ATOM 1488 C ALA B 150 51.391 3.811 5.974 1.00 0.00 C ATOM 1489 O ALA B 150 50.976 2.726 5.613 1.00 0.00 O ATOM 1490 CB ALA B 150 53.621 4.363 7.018 1.00 0.00 C ATOM 0 H ALA B 150 53.444 6.280 5.603 1.00 0.00 H new ATOM 0 HA ALA B 150 53.267 3.464 5.051 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.622 3.406 7.539 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.648 4.662 6.806 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.146 5.117 7.645 1.00 0.00 H new ATOM 1496 N ASP B 151 50.618 4.662 6.608 1.00 0.00 N ATOM 1497 CA ASP B 151 49.188 4.316 6.909 1.00 0.00 C ATOM 1498 C ASP B 151 48.392 4.058 5.616 1.00 0.00 C ATOM 1499 O ASP B 151 47.528 3.202 5.577 1.00 0.00 O ATOM 1500 CB ASP B 151 48.628 5.527 7.672 1.00 0.00 C ATOM 1501 CG ASP B 151 48.694 6.787 6.800 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.767 7.359 6.700 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.671 7.156 6.249 1.00 0.00 O ATOM 0 H ASP B 151 50.915 5.583 6.931 1.00 0.00 H new ATOM 0 HA ASP B 151 49.111 3.400 7.494 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.596 5.334 7.966 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.197 5.682 8.589 1.00 0.00 H new ATOM 1508 N ALA B 152 48.679 4.781 4.559 1.00 0.00 N ATOM 1509 CA ALA B 152 47.939 4.562 3.278 1.00 0.00 C ATOM 1510 C ALA B 152 48.412 3.265 2.606 1.00 0.00 C ATOM 1511 O ALA B 152 47.622 2.527 2.045 1.00 0.00 O ATOM 1512 CB ALA B 152 48.273 5.773 2.404 1.00 0.00 C ATOM 0 H ALA B 152 49.391 5.510 4.529 1.00 0.00 H new ATOM 0 HA ALA B 152 46.865 4.464 3.438 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.763 5.681 1.445 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.944 6.684 2.904 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.350 5.817 2.240 1.00 0.00 H new ATOM 1518 N MET B 153 49.693 2.982 2.660 1.00 0.00 N ATOM 1519 CA MET B 153 50.214 1.730 2.023 1.00 0.00 C ATOM 1520 C MET B 153 49.643 0.489 2.724 1.00 0.00 C ATOM 1521 O MET B 153 49.161 -0.422 2.079 1.00 0.00 O ATOM 1522 CB MET B 153 51.738 1.789 2.182 1.00 0.00 C ATOM 1523 CG MET B 153 52.382 2.120 0.832 1.00 0.00 C ATOM 1524 SD MET B 153 52.270 0.683 -0.263 1.00 0.00 S ATOM 1525 CE MET B 153 53.301 1.333 -1.602 1.00 0.00 C ATOM 0 H MET B 153 50.398 3.562 3.116 1.00 0.00 H new ATOM 0 HA MET B 153 49.922 1.660 0.975 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.008 2.544 2.920 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.113 0.834 2.551 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.881 2.975 0.379 1.00 0.00 H new ATOM 0 HG3 MET B 153 53.426 2.401 0.975 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.369 0.594 -2.400 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.856 2.249 -1.992 1.00 0.00 H new ATOM 0 HE3 MET B 153 54.299 1.548 -1.221 1.00 0.00 H new ATOM 1535 N MET B 154 49.683 0.446 4.038 1.00 0.00 N ATOM 1536 CA MET B 154 49.127 -0.744 4.762 1.00 0.00 C ATOM 1537 C MET B 154 47.611 -0.858 4.517 1.00 0.00 C ATOM 1538 O MET B 154 47.064 -1.942 4.494 1.00 0.00 O ATOM 1539 CB MET B 154 49.444 -0.522 6.252 1.00 0.00 C ATOM 1540 CG MET B 154 48.714 0.715 6.788 1.00 0.00 C ATOM 1541 SD MET B 154 48.732 0.685 8.599 1.00 0.00 S ATOM 1542 CE MET B 154 50.471 1.137 8.824 1.00 0.00 C ATOM 0 H MET B 154 50.073 1.176 4.634 1.00 0.00 H new ATOM 0 HA MET B 154 49.568 -1.677 4.410 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.149 -1.401 6.826 1.00 0.00 H new ATOM 0 HB3 MET B 154 50.519 -0.401 6.385 1.00 0.00 H new ATOM 0 HG2 MET B 154 49.196 1.622 6.423 1.00 0.00 H new ATOM 0 HG3 MET B 154 47.687 0.731 6.424 1.00 0.00 H new ATOM 0 HE1 MET B 154 50.539 2.013 9.469 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.007 0.306 9.283 1.00 0.00 H new ATOM 0 HE3 MET B 154 50.916 1.365 7.855 1.00 0.00 H new ATOM 1552 N GLN B 155 46.937 0.252 4.314 1.00 0.00 N ATOM 1553 CA GLN B 155 45.463 0.210 4.049 1.00 0.00 C ATOM 1554 C GLN B 155 45.184 -0.494 2.711 1.00 0.00 C ATOM 1555 O GLN B 155 44.207 -1.204 2.569 1.00 0.00 O ATOM 1556 CB GLN B 155 45.030 1.678 3.985 1.00 0.00 C ATOM 1557 CG GLN B 155 43.500 1.772 4.006 1.00 0.00 C ATOM 1558 CD GLN B 155 43.048 2.475 5.287 1.00 0.00 C ATOM 1559 OE1 GLN B 155 42.939 1.857 6.326 1.00 0.00 O ATOM 1560 NE2 GLN B 155 42.780 3.751 5.259 1.00 0.00 N ATOM 0 H GLN B 155 47.346 1.186 4.321 1.00 0.00 H new ATOM 0 HA GLN B 155 44.920 -0.342 4.817 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.448 2.227 4.829 1.00 0.00 H new ATOM 0 HB3 GLN B 155 45.419 2.142 3.079 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.147 2.322 3.133 1.00 0.00 H new ATOM 0 HG3 GLN B 155 43.063 0.775 3.953 1.00 0.00 H new ATOM 0 HE21 GLN B 155 42.871 4.272 4.387 1.00 0.00 H new ATOM 0 HE22 GLN B 155 42.479 4.228 6.109 1.00 0.00 H new ATOM 1569 N ALA B 156 46.040 -0.306 1.736 1.00 0.00 N ATOM 1570 CA ALA B 156 45.834 -0.965 0.410 1.00 0.00 C ATOM 1571 C ALA B 156 46.464 -2.366 0.412 1.00 0.00 C ATOM 1572 O ALA B 156 45.875 -3.320 -0.060 1.00 0.00 O ATOM 1573 CB ALA B 156 46.542 -0.056 -0.598 1.00 0.00 C ATOM 0 H ALA B 156 46.874 0.277 1.802 1.00 0.00 H new ATOM 0 HA ALA B 156 44.779 -1.093 0.170 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.437 -0.472 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.095 0.938 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.600 0.015 -0.344 1.00 0.00 H new ATOM 1579 N LEU B 157 47.656 -2.489 0.945 1.00 0.00 N ATOM 1580 CA LEU B 157 48.341 -3.821 0.988 1.00 0.00 C ATOM 1581 C LEU B 157 47.560 -4.799 1.881 1.00 0.00 C ATOM 1582 O LEU B 157 47.289 -5.920 1.493 1.00 0.00 O ATOM 1583 CB LEU B 157 49.730 -3.525 1.578 1.00 0.00 C ATOM 1584 CG LEU B 157 50.747 -4.598 1.158 1.00 0.00 C ATOM 1585 CD1 LEU B 157 50.376 -5.945 1.782 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.770 -4.729 -0.368 1.00 0.00 C ATOM 0 H LEU B 157 48.187 -1.720 1.354 1.00 0.00 H new ATOM 0 HA LEU B 157 48.406 -4.289 0.006 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.070 -2.545 1.243 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.666 -3.485 2.665 1.00 0.00 H new ATOM 0 HG LEU B 157 51.735 -4.300 1.508 1.00 0.00 H new ATOM 0 HD11 LEU B 157 51.102 -6.699 1.479 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.378 -5.856 2.868 1.00 0.00 H new ATOM 0 HD13 LEU B 157 49.383 -6.241 1.444 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.493 -5.491 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU B 157 49.780 -5.015 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU B 157 51.053 -3.774 -0.811 1.00 0.00 H new ATOM 1598 N LEU B 158 47.192 -4.385 3.069 1.00 0.00 N ATOM 1599 CA LEU B 158 46.429 -5.295 3.982 1.00 0.00 C ATOM 1600 C LEU B 158 44.928 -4.951 3.970 1.00 0.00 C ATOM 1601 O LEU B 158 44.220 -5.201 4.928 1.00 0.00 O ATOM 1602 CB LEU B 158 47.037 -5.063 5.369 1.00 0.00 C ATOM 1603 CG LEU B 158 48.418 -5.721 5.435 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.343 -4.887 6.322 1.00 0.00 C ATOM 1605 CD2 LEU B 158 48.286 -7.126 6.021 1.00 0.00 C ATOM 0 H LEU B 158 47.386 -3.458 3.446 1.00 0.00 H new ATOM 0 HA LEU B 158 46.502 -6.339 3.676 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.121 -3.994 5.567 1.00 0.00 H new ATOM 0 HB3 LEU B 158 46.386 -5.480 6.138 1.00 0.00 H new ATOM 0 HG LEU B 158 48.836 -5.782 4.430 1.00 0.00 H new ATOM 0 HD11 LEU B 158 50.325 -5.357 6.367 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.440 -3.884 5.906 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.924 -4.824 7.326 1.00 0.00 H new ATOM 0 HD21 LEU B 158 49.269 -7.594 6.068 1.00 0.00 H new ATOM 0 HD22 LEU B 158 47.865 -7.064 7.025 1.00 0.00 H new ATOM 0 HD23 LEU B 158 47.629 -7.724 5.389 1.00 0.00 H new