USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 50 ASN : amide:sc= -3.91 K(o=-3.9,f=-8!) USER MOD Set 1.2: A 52 THR OG1 : rot -9:sc= -0.04 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.189 F(o=-2.2,f=-0.19) USER MOD Single : A 55 THR OG1 : rot 155:sc= 0.509 USER MOD Single : A 56 ASN : amide:sc=-0.00814 K(o=-0.0081,f=-4.2!) USER MOD Single : A 58 HIS : no HE2:sc= -2.8 K(o=-2.8,f=-4.4!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 71 THR OG1 : rot 43:sc= 0.182 USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.414 USER MOD Single : A 75 SER OG : rot 180:sc= -0.598 USER MOD Single : A 78 MET CE :methyl -107:sc= -2.25 (180deg=-7.32!) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.137 (180deg=-0.871) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0181) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 98 THR OG1 : rot 120:sc= -0.197 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.872 USER MOD Single : A 105 ASN : amide:sc= -0.0648 K(o=-0.065,f=-5.2!) USER MOD Single : A 108 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.9) USER MOD Single : A 109 GLN :FLIP amide:sc= 0.281! F(o=-1.2,f=0.28!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 88.849 21.637 10.527 1.00 0.00 N ATOM 2 CA GLY A 28 88.442 23.054 10.311 1.00 0.00 C ATOM 3 C GLY A 28 88.587 23.410 8.822 1.00 0.00 C ATOM 4 O GLY A 28 87.590 23.528 8.134 1.00 0.00 O ATOM 0 HA2 GLY A 28 87.410 23.200 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 28 89.060 23.717 10.916 1.00 0.00 H new ATOM 10 N PRO A 29 89.818 23.574 8.354 1.00 0.00 N ATOM 11 CA PRO A 29 90.059 23.927 6.914 1.00 0.00 C ATOM 12 C PRO A 29 89.462 22.874 5.971 1.00 0.00 C ATOM 13 O PRO A 29 89.784 21.702 6.060 1.00 0.00 O ATOM 14 CB PRO A 29 91.587 23.937 6.811 1.00 0.00 C ATOM 15 CG PRO A 29 92.035 24.237 8.198 1.00 0.00 C ATOM 16 CD PRO A 29 91.101 23.466 9.082 1.00 0.00 C ATOM 0 HA PRO A 29 89.596 24.872 6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 29 91.971 22.977 6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 29 91.935 24.692 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 29 93.069 23.930 8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 29 91.984 25.306 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 29 91.416 22.429 9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 29 91.039 23.896 10.082 1.00 0.00 H new ATOM 24 N GLU A 30 88.595 23.293 5.074 1.00 0.00 N ATOM 25 CA GLU A 30 87.974 22.343 4.091 1.00 0.00 C ATOM 26 C GLU A 30 88.818 22.255 2.808 1.00 0.00 C ATOM 27 O GLU A 30 88.299 22.321 1.704 1.00 0.00 O ATOM 28 CB GLU A 30 86.589 22.934 3.794 1.00 0.00 C ATOM 29 CG GLU A 30 85.712 22.839 5.045 1.00 0.00 C ATOM 30 CD GLU A 30 84.297 23.325 4.722 1.00 0.00 C ATOM 31 OE1 GLU A 30 84.177 24.344 4.061 1.00 0.00 O ATOM 32 OE2 GLU A 30 83.357 22.670 5.141 1.00 0.00 O ATOM 0 H GLU A 30 88.289 24.262 4.981 1.00 0.00 H new ATOM 0 HA GLU A 30 87.911 21.329 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.685 23.974 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.122 22.396 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.681 21.809 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 30 86.139 23.441 5.847 1.00 0.00 H new ATOM 39 N ASP A 31 90.114 22.102 2.954 1.00 0.00 N ATOM 40 CA ASP A 31 91.027 22.085 1.760 1.00 0.00 C ATOM 41 C ASP A 31 90.960 20.718 1.056 1.00 0.00 C ATOM 42 O ASP A 31 91.901 19.942 1.089 1.00 0.00 O ATOM 43 CB ASP A 31 92.443 22.388 2.296 1.00 0.00 C ATOM 44 CG ASP A 31 92.883 21.334 3.323 1.00 0.00 C ATOM 45 OD1 ASP A 31 92.203 21.190 4.325 1.00 0.00 O ATOM 46 OD2 ASP A 31 93.893 20.692 3.086 1.00 0.00 O ATOM 0 H ASP A 31 90.583 21.987 3.853 1.00 0.00 H new ATOM 0 HA ASP A 31 90.737 22.826 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 31 93.151 22.411 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 31 92.457 23.376 2.756 1.00 0.00 H new ATOM 51 N THR A 32 89.843 20.428 0.425 1.00 0.00 N ATOM 52 CA THR A 32 89.701 19.155 -0.348 1.00 0.00 C ATOM 53 C THR A 32 88.777 19.371 -1.550 1.00 0.00 C ATOM 54 O THR A 32 87.620 19.720 -1.392 1.00 0.00 O ATOM 55 CB THR A 32 89.082 18.160 0.634 1.00 0.00 C ATOM 56 OG1 THR A 32 89.807 18.190 1.856 1.00 0.00 O ATOM 57 CG2 THR A 32 89.141 16.753 0.039 1.00 0.00 C ATOM 0 H THR A 32 89.018 21.027 0.415 1.00 0.00 H new ATOM 0 HA THR A 32 90.654 18.799 -0.738 1.00 0.00 H new ATOM 0 HB THR A 32 88.043 18.431 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 32 89.411 17.554 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 32 88.700 16.043 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 32 88.586 16.731 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 32 90.180 16.480 -0.148 1.00 0.00 H new ATOM 65 N LEU A 33 89.287 19.163 -2.743 1.00 0.00 N ATOM 66 CA LEU A 33 88.488 19.449 -3.981 1.00 0.00 C ATOM 67 C LEU A 33 87.527 18.285 -4.277 1.00 0.00 C ATOM 68 O LEU A 33 87.832 17.157 -3.939 1.00 0.00 O ATOM 69 CB LEU A 33 89.514 19.588 -5.111 1.00 0.00 C ATOM 70 CG LEU A 33 90.171 20.968 -5.038 1.00 0.00 C ATOM 71 CD1 LEU A 33 91.511 20.935 -5.774 1.00 0.00 C ATOM 72 CD2 LEU A 33 89.255 22.002 -5.695 1.00 0.00 C ATOM 0 H LEU A 33 90.227 18.806 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 33 87.882 20.348 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 90.271 18.808 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 33 89.027 19.456 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 33 90.336 21.237 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 33 91.979 21.918 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 33 92.164 20.197 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 33 91.346 20.666 -6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 33 89.721 22.986 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 33 89.091 21.732 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.299 22.026 -5.172 1.00 0.00 H new ATOM 84 N PRO A 34 86.388 18.578 -4.884 1.00 0.00 N ATOM 85 CA PRO A 34 85.541 17.501 -5.486 1.00 0.00 C ATOM 86 C PRO A 34 86.263 16.829 -6.664 1.00 0.00 C ATOM 87 O PRO A 34 86.730 17.498 -7.570 1.00 0.00 O ATOM 88 CB PRO A 34 84.306 18.269 -5.981 1.00 0.00 C ATOM 89 CG PRO A 34 84.304 19.510 -5.157 1.00 0.00 C ATOM 90 CD PRO A 34 85.746 19.896 -5.053 1.00 0.00 C ATOM 0 HA PRO A 34 85.304 16.701 -4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.376 18.496 -7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.392 17.692 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.716 20.298 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.869 19.332 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 34 86.098 20.413 -5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.935 20.556 -4.207 1.00 0.00 H new ATOM 98 N PHE A 35 86.358 15.519 -6.649 1.00 0.00 N ATOM 99 CA PHE A 35 86.733 14.761 -7.889 1.00 0.00 C ATOM 100 C PHE A 35 86.216 13.315 -7.808 1.00 0.00 C ATOM 101 O PHE A 35 86.950 12.367 -8.026 1.00 0.00 O ATOM 102 CB PHE A 35 88.267 14.810 -7.959 1.00 0.00 C ATOM 103 CG PHE A 35 88.969 14.253 -6.740 1.00 0.00 C ATOM 104 CD1 PHE A 35 89.228 15.103 -5.622 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.374 12.882 -6.705 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.893 14.584 -4.468 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.039 12.363 -5.550 1.00 0.00 C ATOM 108 CZ PHE A 35 90.297 13.214 -4.431 1.00 0.00 C ATOM 0 H PHE A 35 86.191 14.939 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 35 86.289 15.195 -8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.596 14.255 -8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.579 15.845 -8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.921 16.138 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.178 12.239 -7.550 1.00 0.00 H new ATOM 0 HE1 PHE A 35 90.090 15.228 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.346 11.328 -5.523 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.797 12.822 -3.558 1.00 0.00 H new ATOM 118 N LEU A 36 84.946 13.153 -7.505 1.00 0.00 N ATOM 119 CA LEU A 36 84.358 11.786 -7.354 1.00 0.00 C ATOM 120 C LEU A 36 82.839 11.839 -7.533 1.00 0.00 C ATOM 121 O LEU A 36 82.141 12.440 -6.738 1.00 0.00 O ATOM 122 CB LEU A 36 84.718 11.358 -5.930 1.00 0.00 C ATOM 123 CG LEU A 36 84.376 9.879 -5.734 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.376 9.014 -6.504 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.447 9.535 -4.245 1.00 0.00 C ATOM 0 H LEU A 36 84.289 13.919 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 36 84.738 11.087 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.780 11.523 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.173 11.966 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 36 83.370 9.687 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.131 7.961 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.328 9.259 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.383 9.205 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.204 8.482 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.454 9.728 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.734 10.149 -3.695 1.00 0.00 H new ATOM 137 N LYS A 37 82.335 11.214 -8.574 1.00 0.00 N ATOM 138 CA LYS A 37 80.857 11.163 -8.799 1.00 0.00 C ATOM 139 C LYS A 37 80.298 9.817 -8.330 1.00 0.00 C ATOM 140 O LYS A 37 80.834 8.775 -8.661 1.00 0.00 O ATOM 141 CB LYS A 37 80.685 11.312 -10.313 1.00 0.00 C ATOM 142 CG LYS A 37 79.221 11.614 -10.634 1.00 0.00 C ATOM 143 CD LYS A 37 78.979 11.441 -12.135 1.00 0.00 C ATOM 144 CE LYS A 37 79.624 12.602 -12.893 1.00 0.00 C ATOM 145 NZ LYS A 37 78.907 12.655 -14.197 1.00 0.00 N ATOM 0 H LYS A 37 82.891 10.734 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 37 80.327 11.939 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.323 12.114 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 37 80.997 10.397 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.569 10.946 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.974 12.631 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.398 10.494 -12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 37 77.909 11.409 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.518 13.539 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 37 80.692 12.436 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 79.294 13.428 -14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 79.032 11.752 -14.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 77.894 12.821 -14.030 1.00 0.00 H new ATOM 159 N CYS A 38 79.231 9.843 -7.562 1.00 0.00 N ATOM 160 CA CYS A 38 78.625 8.572 -7.046 1.00 0.00 C ATOM 161 C CYS A 38 77.227 8.387 -7.642 1.00 0.00 C ATOM 162 O CYS A 38 76.480 9.341 -7.772 1.00 0.00 O ATOM 163 CB CYS A 38 78.516 8.740 -5.522 1.00 0.00 C ATOM 164 SG CYS A 38 80.149 8.997 -4.771 1.00 0.00 S ATOM 0 H CYS A 38 78.752 10.695 -7.270 1.00 0.00 H new ATOM 0 HA CYS A 38 79.227 7.704 -7.314 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.870 9.587 -5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.049 7.856 -5.089 1.00 0.00 H new ATOM 169 N TYR A 39 76.877 7.172 -8.001 1.00 0.00 N ATOM 170 CA TYR A 39 75.499 6.892 -8.521 1.00 0.00 C ATOM 171 C TYR A 39 74.549 6.589 -7.358 1.00 0.00 C ATOM 172 O TYR A 39 74.936 5.962 -6.386 1.00 0.00 O ATOM 173 CB TYR A 39 75.655 5.676 -9.444 1.00 0.00 C ATOM 174 CG TYR A 39 74.362 5.216 -10.078 1.00 0.00 C ATOM 175 CD1 TYR A 39 73.939 5.771 -11.326 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.554 4.238 -9.421 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.710 5.344 -11.917 1.00 0.00 C ATOM 178 CE2 TYR A 39 72.323 3.813 -10.012 1.00 0.00 C ATOM 179 CZ TYR A 39 71.902 4.366 -11.260 1.00 0.00 C ATOM 180 OH TYR A 39 70.714 3.956 -11.831 1.00 0.00 O ATOM 0 H TYR A 39 77.491 6.359 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 39 75.075 7.742 -9.055 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.368 5.920 -10.232 1.00 0.00 H new ATOM 0 HB3 TYR A 39 76.081 4.851 -8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.548 6.512 -11.822 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.873 3.820 -8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.392 5.761 -12.861 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.712 3.074 -9.515 1.00 0.00 H new ATOM 0 HH TYR A 39 70.289 3.286 -11.256 1.00 0.00 H new ATOM 190 N CYS A 40 73.314 7.029 -7.459 1.00 0.00 N ATOM 191 CA CYS A 40 72.338 6.858 -6.331 1.00 0.00 C ATOM 192 C CYS A 40 71.158 5.977 -6.767 1.00 0.00 C ATOM 193 O CYS A 40 70.639 6.128 -7.859 1.00 0.00 O ATOM 194 CB CYS A 40 71.873 8.282 -5.953 1.00 0.00 C ATOM 195 SG CYS A 40 71.067 9.128 -7.348 1.00 0.00 S ATOM 0 H CYS A 40 72.938 7.503 -8.280 1.00 0.00 H new ATOM 0 HA CYS A 40 72.792 6.358 -5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.180 8.226 -5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.730 8.867 -5.620 1.00 0.00 H new ATOM 200 N SER A 41 70.744 5.063 -5.916 1.00 0.00 N ATOM 201 CA SER A 41 69.584 4.177 -6.242 1.00 0.00 C ATOM 202 C SER A 41 68.500 4.310 -5.168 1.00 0.00 C ATOM 203 O SER A 41 68.739 4.032 -4.007 1.00 0.00 O ATOM 204 CB SER A 41 70.160 2.761 -6.248 1.00 0.00 C ATOM 205 OG SER A 41 69.155 1.846 -6.665 1.00 0.00 O ATOM 0 H SER A 41 71.166 4.895 -5.003 1.00 0.00 H new ATOM 0 HA SER A 41 69.121 4.434 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 41 71.017 2.708 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.517 2.497 -5.253 1.00 0.00 H new ATOM 0 HG SER A 41 69.522 0.937 -6.671 1.00 0.00 H new ATOM 211 N GLY A 42 67.317 4.734 -5.556 1.00 0.00 N ATOM 212 CA GLY A 42 66.195 4.886 -4.580 1.00 0.00 C ATOM 213 C GLY A 42 66.305 6.241 -3.875 1.00 0.00 C ATOM 214 O GLY A 42 65.423 7.074 -3.991 1.00 0.00 O ATOM 0 H GLY A 42 67.083 4.983 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.238 4.810 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.226 4.080 -3.847 1.00 0.00 H new ATOM 218 N HIS A 43 67.381 6.459 -3.153 1.00 0.00 N ATOM 219 CA HIS A 43 67.550 7.732 -2.386 1.00 0.00 C ATOM 220 C HIS A 43 68.587 8.633 -3.063 1.00 0.00 C ATOM 221 O HIS A 43 69.761 8.309 -3.105 1.00 0.00 O ATOM 222 CB HIS A 43 68.038 7.297 -1.004 1.00 0.00 C ATOM 223 CG HIS A 43 68.159 8.434 -0.026 1.00 0.00 C ATOM 224 ND1 HIS A 43 69.384 8.985 0.319 1.00 0.00 N ATOM 225 CD2 HIS A 43 67.220 9.132 0.692 1.00 0.00 C ATOM 226 CE1 HIS A 43 69.152 9.970 1.204 1.00 0.00 C ATOM 227 NE2 HIS A 43 67.848 10.103 1.467 1.00 0.00 N ATOM 0 H HIS A 43 68.155 5.801 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 43 66.625 8.305 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 43 67.350 6.554 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 43 69.008 6.811 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 43 66.155 8.955 0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 43 69.925 10.580 1.648 1.00 0.00 H new ATOM 0 HE2 HIS A 43 67.408 10.772 2.099 1.00 0.00 H new ATOM 235 N CYS A 44 68.153 9.755 -3.591 1.00 0.00 N ATOM 236 CA CYS A 44 69.097 10.734 -4.212 1.00 0.00 C ATOM 237 C CYS A 44 68.692 12.164 -3.801 1.00 0.00 C ATOM 238 O CYS A 44 67.515 12.473 -3.822 1.00 0.00 O ATOM 239 CB CYS A 44 68.927 10.530 -5.726 1.00 0.00 C ATOM 240 SG CYS A 44 70.479 10.906 -6.585 1.00 0.00 S ATOM 0 H CYS A 44 67.172 10.035 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 44 70.131 10.590 -3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.629 9.502 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.130 11.173 -6.100 1.00 0.00 H new ATOM 245 N PRO A 45 69.658 13.005 -3.441 1.00 0.00 N ATOM 246 CA PRO A 45 69.324 14.337 -2.846 1.00 0.00 C ATOM 247 C PRO A 45 68.503 15.192 -3.824 1.00 0.00 C ATOM 248 O PRO A 45 68.605 15.037 -5.028 1.00 0.00 O ATOM 249 CB PRO A 45 70.688 14.979 -2.564 1.00 0.00 C ATOM 250 CG PRO A 45 71.671 14.211 -3.387 1.00 0.00 C ATOM 251 CD PRO A 45 71.120 12.822 -3.544 1.00 0.00 C ATOM 0 HA PRO A 45 68.713 14.247 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.688 16.034 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.936 14.923 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.812 14.683 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.646 14.187 -2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.401 12.387 -4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.494 12.154 -2.769 1.00 0.00 H new ATOM 259 N ASP A 46 67.696 16.092 -3.304 1.00 0.00 N ATOM 260 CA ASP A 46 66.735 16.868 -4.168 1.00 0.00 C ATOM 261 C ASP A 46 67.478 17.690 -5.231 1.00 0.00 C ATOM 262 O ASP A 46 66.944 17.947 -6.296 1.00 0.00 O ATOM 263 CB ASP A 46 65.978 17.803 -3.217 1.00 0.00 C ATOM 264 CG ASP A 46 65.113 16.973 -2.266 1.00 0.00 C ATOM 265 OD1 ASP A 46 63.973 16.711 -2.610 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.607 16.614 -1.210 1.00 0.00 O ATOM 0 H ASP A 46 67.660 16.325 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 46 66.065 16.195 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.683 18.409 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.353 18.491 -3.787 1.00 0.00 H new ATOM 271 N ASP A 47 68.696 18.096 -4.946 1.00 0.00 N ATOM 272 CA ASP A 47 69.473 18.935 -5.918 1.00 0.00 C ATOM 273 C ASP A 47 70.346 18.070 -6.849 1.00 0.00 C ATOM 274 O ASP A 47 71.225 18.587 -7.516 1.00 0.00 O ATOM 275 CB ASP A 47 70.339 19.874 -5.053 1.00 0.00 C ATOM 276 CG ASP A 47 71.314 19.081 -4.170 1.00 0.00 C ATOM 277 OD1 ASP A 47 70.849 18.263 -3.394 1.00 0.00 O ATOM 278 OD2 ASP A 47 72.507 19.307 -4.289 1.00 0.00 O ATOM 0 H ASP A 47 69.187 17.881 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 47 68.808 19.493 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 47 70.898 20.552 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.695 20.490 -4.425 1.00 0.00 H new ATOM 283 N ALA A 48 70.109 16.773 -6.901 1.00 0.00 N ATOM 284 CA ALA A 48 71.021 15.861 -7.664 1.00 0.00 C ATOM 285 C ALA A 48 70.782 16.006 -9.169 1.00 0.00 C ATOM 286 O ALA A 48 69.747 16.492 -9.592 1.00 0.00 O ATOM 287 CB ALA A 48 70.677 14.440 -7.204 1.00 0.00 C ATOM 0 H ALA A 48 69.322 16.311 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 48 72.069 16.098 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.312 13.725 -7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 48 70.843 14.355 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.631 14.228 -7.427 1.00 0.00 H new ATOM 293 N ILE A 49 71.735 15.588 -9.971 1.00 0.00 N ATOM 294 CA ILE A 49 71.610 15.720 -11.458 1.00 0.00 C ATOM 295 C ILE A 49 71.828 14.344 -12.097 1.00 0.00 C ATOM 296 O ILE A 49 72.675 13.592 -11.659 1.00 0.00 O ATOM 297 CB ILE A 49 72.703 16.722 -11.887 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.484 18.078 -11.199 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.654 16.937 -13.407 1.00 0.00 C ATOM 300 CD1 ILE A 49 73.778 18.891 -11.247 1.00 0.00 C ATOM 0 H ILE A 49 72.603 15.156 -9.654 1.00 0.00 H new ATOM 0 HA ILE A 49 70.628 16.074 -11.771 1.00 0.00 H new ATOM 0 HB ILE A 49 73.671 16.312 -11.598 1.00 0.00 H new ATOM 0 HG12 ILE A 49 71.681 18.624 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.175 17.927 -10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.429 17.646 -13.699 1.00 0.00 H new ATOM 0 HG22 ILE A 49 72.821 15.987 -13.914 1.00 0.00 H new ATOM 0 HG23 ILE A 49 71.677 17.331 -13.687 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.622 19.853 -10.759 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.569 18.347 -10.731 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.067 19.054 -12.285 1.00 0.00 H new ATOM 312 N ASN A 50 71.058 14.021 -13.122 1.00 0.00 N ATOM 313 CA ASN A 50 71.111 12.674 -13.807 1.00 0.00 C ATOM 314 C ASN A 50 71.313 11.498 -12.825 1.00 0.00 C ATOM 315 O ASN A 50 72.081 10.589 -13.079 1.00 0.00 O ATOM 316 CB ASN A 50 72.250 12.768 -14.845 1.00 0.00 C ATOM 317 CG ASN A 50 73.622 12.909 -14.176 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.026 13.994 -13.809 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.362 11.846 -14.010 1.00 0.00 N ATOM 0 H ASN A 50 70.371 14.658 -13.526 1.00 0.00 H new ATOM 0 HA ASN A 50 70.156 12.455 -14.284 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.242 11.878 -15.474 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.075 13.622 -15.499 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.280 11.927 -13.572 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.022 10.935 -14.318 1.00 0.00 H new ATOM 326 N ASN A 51 70.614 11.526 -11.704 1.00 0.00 N ATOM 327 CA ASN A 51 70.721 10.443 -10.660 1.00 0.00 C ATOM 328 C ASN A 51 72.178 10.246 -10.202 1.00 0.00 C ATOM 329 O ASN A 51 72.632 9.128 -10.020 1.00 0.00 O ATOM 330 CB ASN A 51 70.169 9.167 -11.317 1.00 0.00 C ATOM 331 CG ASN A 51 70.007 8.074 -10.259 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.996 8.125 -9.435 1.00 0.00 O flip ATOM 333 ND2 ASN A 51 70.806 7.162 -10.184 1.00 0.00 N flip ATOM 0 H ASN A 51 69.960 12.271 -11.465 1.00 0.00 H new ATOM 0 HA ASN A 51 70.158 10.704 -9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 51 69.209 9.375 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.844 8.829 -12.103 1.00 0.00 H new ATOM 0 HD21 ASN A 51 71.596 7.122 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 51 70.687 6.436 -9.477 1.00 0.00 H new ATOM 340 N THR A 52 72.904 11.328 -10.017 1.00 0.00 N ATOM 341 CA THR A 52 74.291 11.237 -9.459 1.00 0.00 C ATOM 342 C THR A 52 74.586 12.432 -8.548 1.00 0.00 C ATOM 343 O THR A 52 73.887 13.430 -8.581 1.00 0.00 O ATOM 344 CB THR A 52 75.218 11.259 -10.677 1.00 0.00 C ATOM 345 OG1 THR A 52 74.920 12.395 -11.475 1.00 0.00 O ATOM 346 CG2 THR A 52 75.020 9.985 -11.501 1.00 0.00 C ATOM 0 H THR A 52 72.591 12.275 -10.231 1.00 0.00 H new ATOM 0 HA THR A 52 74.425 10.338 -8.857 1.00 0.00 H new ATOM 0 HB THR A 52 76.254 11.310 -10.343 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.105 12.824 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.682 10.005 -12.367 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.252 9.115 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 52 73.985 9.926 -11.837 1.00 0.00 H new ATOM 354 N CYS A 53 75.622 12.327 -7.742 1.00 0.00 N ATOM 355 CA CYS A 53 76.018 13.457 -6.841 1.00 0.00 C ATOM 356 C CYS A 53 77.546 13.587 -6.779 1.00 0.00 C ATOM 357 O CYS A 53 78.266 12.689 -7.175 1.00 0.00 O ATOM 358 CB CYS A 53 75.422 13.135 -5.454 1.00 0.00 C ATOM 359 SG CYS A 53 76.026 11.545 -4.810 1.00 0.00 S ATOM 0 H CYS A 53 76.213 11.499 -7.672 1.00 0.00 H new ATOM 0 HA CYS A 53 75.642 14.412 -7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.678 13.931 -4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.334 13.109 -5.523 1.00 0.00 H new ATOM 364 N ILE A 54 78.028 14.703 -6.282 1.00 0.00 N ATOM 365 CA ILE A 54 79.502 14.977 -6.271 1.00 0.00 C ATOM 366 C ILE A 54 80.001 14.988 -4.819 1.00 0.00 C ATOM 367 O ILE A 54 79.393 15.602 -3.959 1.00 0.00 O ATOM 368 CB ILE A 54 79.662 16.365 -6.932 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.120 16.336 -8.368 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.143 16.764 -6.983 1.00 0.00 C ATOM 371 CD1 ILE A 54 78.953 17.768 -8.883 1.00 0.00 C ATOM 0 H ILE A 54 77.455 15.444 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 54 80.081 14.223 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 54 79.103 17.087 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.803 15.784 -9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.163 15.815 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.240 17.744 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.544 16.804 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.698 16.028 -7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.568 17.745 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.253 18.306 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.918 18.274 -8.871 1.00 0.00 H new ATOM 383 N THR A 55 81.100 14.316 -4.552 1.00 0.00 N ATOM 384 CA THR A 55 81.641 14.254 -3.156 1.00 0.00 C ATOM 385 C THR A 55 83.175 14.331 -3.154 1.00 0.00 C ATOM 386 O THR A 55 83.821 13.952 -4.115 1.00 0.00 O ATOM 387 CB THR A 55 81.151 12.911 -2.581 1.00 0.00 C ATOM 388 OG1 THR A 55 81.624 12.774 -1.250 1.00 0.00 O ATOM 389 CG2 THR A 55 81.655 11.725 -3.422 1.00 0.00 C ATOM 0 H THR A 55 81.647 13.806 -5.246 1.00 0.00 H new ATOM 0 HA THR A 55 81.296 15.095 -2.555 1.00 0.00 H new ATOM 0 HB THR A 55 80.061 12.906 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 55 81.031 12.173 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.292 10.792 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.286 11.820 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.745 11.721 -3.429 1.00 0.00 H new ATOM 397 N ASN A 56 83.745 14.824 -2.079 1.00 0.00 N ATOM 398 CA ASN A 56 85.223 14.680 -1.855 1.00 0.00 C ATOM 399 C ASN A 56 85.499 13.700 -0.705 1.00 0.00 C ATOM 400 O ASN A 56 86.477 13.838 0.007 1.00 0.00 O ATOM 401 CB ASN A 56 85.750 16.090 -1.519 1.00 0.00 C ATOM 402 CG ASN A 56 85.026 16.678 -0.298 1.00 0.00 C ATOM 403 OD1 ASN A 56 83.821 16.826 -0.305 1.00 0.00 O ATOM 404 ND2 ASN A 56 85.719 17.021 0.753 1.00 0.00 N ATOM 0 H ASN A 56 83.248 15.323 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 56 85.722 14.279 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.821 16.043 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.612 16.747 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 56 85.248 17.413 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 56 86.731 16.897 0.759 1.00 0.00 H new ATOM 411 N GLY A 57 84.639 12.718 -0.528 1.00 0.00 N ATOM 412 CA GLY A 57 84.872 11.662 0.507 1.00 0.00 C ATOM 413 C GLY A 57 84.861 10.288 -0.167 1.00 0.00 C ATOM 414 O GLY A 57 85.875 9.831 -0.666 1.00 0.00 O ATOM 0 H GLY A 57 83.778 12.606 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.827 11.828 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.099 11.711 1.274 1.00 0.00 H new ATOM 418 N HIS A 58 83.721 9.633 -0.179 1.00 0.00 N ATOM 419 CA HIS A 58 83.595 8.314 -0.879 1.00 0.00 C ATOM 420 C HIS A 58 82.164 8.142 -1.391 1.00 0.00 C ATOM 421 O HIS A 58 81.294 8.937 -1.087 1.00 0.00 O ATOM 422 CB HIS A 58 83.907 7.237 0.170 1.00 0.00 C ATOM 423 CG HIS A 58 85.211 7.430 0.903 1.00 0.00 C ATOM 424 ND1 HIS A 58 85.344 8.334 1.946 1.00 0.00 N ATOM 425 CD2 HIS A 58 86.442 6.841 0.760 1.00 0.00 C ATOM 426 CE1 HIS A 58 86.614 8.264 2.384 1.00 0.00 C ATOM 427 NE2 HIS A 58 87.327 7.370 1.696 1.00 0.00 N ATOM 0 H HIS A 58 82.866 9.960 0.271 1.00 0.00 H new ATOM 0 HA HIS A 58 84.272 8.245 -1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 58 83.097 7.213 0.898 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.923 6.264 -0.321 1.00 0.00 H new ATOM 0 HD1 HIS A 58 84.612 8.942 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 58 86.687 6.082 0.032 1.00 0.00 H new ATOM 0 HE1 HIS A 58 87.009 8.859 3.194 1.00 0.00 H new ATOM 435 N CYS A 59 81.924 7.111 -2.167 1.00 0.00 N ATOM 436 CA CYS A 59 80.517 6.707 -2.486 1.00 0.00 C ATOM 437 C CYS A 59 80.077 5.647 -1.477 1.00 0.00 C ATOM 438 O CYS A 59 80.853 4.770 -1.135 1.00 0.00 O ATOM 439 CB CYS A 59 80.540 6.102 -3.899 1.00 0.00 C ATOM 440 SG CYS A 59 81.161 7.291 -5.124 1.00 0.00 S ATOM 0 H CYS A 59 82.645 6.530 -2.595 1.00 0.00 H new ATOM 0 HA CYS A 59 79.829 7.551 -2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.168 5.211 -3.904 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.535 5.784 -4.176 1.00 0.00 H new ATOM 445 N PHE A 60 78.851 5.714 -1.001 1.00 0.00 N ATOM 446 CA PHE A 60 78.390 4.747 0.048 1.00 0.00 C ATOM 447 C PHE A 60 77.043 4.121 -0.348 1.00 0.00 C ATOM 448 O PHE A 60 76.269 4.712 -1.079 1.00 0.00 O ATOM 449 CB PHE A 60 78.304 5.563 1.357 1.00 0.00 C ATOM 450 CG PHE A 60 77.063 6.423 1.526 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.902 5.873 2.156 1.00 0.00 C ATOM 452 CD2 PHE A 60 77.048 7.774 1.060 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.730 6.673 2.319 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.875 8.574 1.226 1.00 0.00 C ATOM 455 CZ PHE A 60 74.717 8.024 1.855 1.00 0.00 C ATOM 0 H PHE A 60 78.152 6.397 -1.295 1.00 0.00 H new ATOM 0 HA PHE A 60 79.075 3.907 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.359 4.871 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.180 6.209 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.912 4.852 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.923 8.190 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.854 6.256 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.865 9.595 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.831 8.629 1.980 1.00 0.00 H new ATOM 465 N ALA A 61 76.777 2.934 0.144 1.00 0.00 N ATOM 466 CA ALA A 61 75.478 2.252 -0.136 1.00 0.00 C ATOM 467 C ALA A 61 75.130 1.322 1.028 1.00 0.00 C ATOM 468 O ALA A 61 76.003 0.690 1.597 1.00 0.00 O ATOM 469 CB ALA A 61 75.715 1.449 -1.415 1.00 0.00 C ATOM 0 H ALA A 61 77.416 2.403 0.736 1.00 0.00 H new ATOM 0 HA ALA A 61 74.652 2.953 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.802 0.918 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.995 2.125 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.517 0.730 -1.250 1.00 0.00 H new ATOM 475 N ILE A 62 73.868 1.240 1.378 1.00 0.00 N ATOM 476 CA ILE A 62 73.460 0.473 2.595 1.00 0.00 C ATOM 477 C ILE A 62 72.130 -0.261 2.344 1.00 0.00 C ATOM 478 O ILE A 62 71.294 0.200 1.585 1.00 0.00 O ATOM 479 CB ILE A 62 73.344 1.528 3.716 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.006 0.841 5.044 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.259 2.565 3.391 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.262 1.808 6.200 1.00 0.00 C ATOM 0 H ILE A 62 73.099 1.675 0.868 1.00 0.00 H new ATOM 0 HA ILE A 62 74.177 -0.302 2.865 1.00 0.00 H new ATOM 0 HB ILE A 62 74.302 2.041 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 62 71.963 0.524 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.613 -0.056 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.200 3.295 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.509 3.073 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.297 2.064 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.021 1.319 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.311 2.104 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.636 2.692 6.080 1.00 0.00 H new ATOM 494 N ILE A 63 71.946 -1.395 2.981 1.00 0.00 N ATOM 495 CA ILE A 63 70.687 -2.188 2.819 1.00 0.00 C ATOM 496 C ILE A 63 70.262 -2.758 4.183 1.00 0.00 C ATOM 497 O ILE A 63 71.098 -3.115 4.993 1.00 0.00 O ATOM 498 CB ILE A 63 71.027 -3.298 1.801 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.789 -4.163 1.538 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.161 -4.194 2.317 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.005 -4.996 0.273 1.00 0.00 C ATOM 0 H ILE A 63 72.628 -1.810 3.616 1.00 0.00 H new ATOM 0 HA ILE A 63 69.849 -1.590 2.461 1.00 0.00 H new ATOM 0 HB ILE A 63 71.351 -2.817 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.603 -4.818 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 63 68.909 -3.531 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.379 -4.966 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.053 -3.591 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 63 71.858 -4.662 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.124 -5.611 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.170 -4.332 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.875 -5.639 0.405 1.00 0.00 H new ATOM 513 N GLU A 64 68.975 -2.851 4.425 1.00 0.00 N ATOM 514 CA GLU A 64 68.470 -3.139 5.804 1.00 0.00 C ATOM 515 C GLU A 64 67.197 -3.985 5.725 1.00 0.00 C ATOM 516 O GLU A 64 66.379 -3.792 4.842 1.00 0.00 O ATOM 517 CB GLU A 64 68.162 -1.772 6.425 1.00 0.00 C ATOM 518 CG GLU A 64 69.452 -0.959 6.577 1.00 0.00 C ATOM 519 CD GLU A 64 69.168 0.305 7.393 1.00 0.00 C ATOM 520 OE1 GLU A 64 68.162 0.944 7.132 1.00 0.00 O ATOM 521 OE2 GLU A 64 69.964 0.613 8.265 1.00 0.00 O ATOM 0 H GLU A 64 68.248 -2.738 3.719 1.00 0.00 H new ATOM 0 HA GLU A 64 69.196 -3.694 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.454 -1.231 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.690 -1.904 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.216 -1.559 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 64 69.843 -0.691 5.595 1.00 0.00 H new ATOM 528 N GLU A 65 67.031 -4.912 6.644 1.00 0.00 N ATOM 529 CA GLU A 65 65.853 -5.832 6.603 1.00 0.00 C ATOM 530 C GLU A 65 64.793 -5.379 7.613 1.00 0.00 C ATOM 531 O GLU A 65 65.031 -5.376 8.808 1.00 0.00 O ATOM 532 CB GLU A 65 66.431 -7.201 6.986 1.00 0.00 C ATOM 533 CG GLU A 65 65.356 -8.293 6.862 1.00 0.00 C ATOM 534 CD GLU A 65 64.598 -8.455 8.187 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.212 -8.295 9.233 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.417 -8.750 8.135 1.00 0.00 O ATOM 0 H GLU A 65 67.668 -5.068 7.425 1.00 0.00 H new ATOM 0 HA GLU A 65 65.362 -5.851 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.276 -7.439 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.810 -7.170 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.658 -8.035 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.821 -9.239 6.584 1.00 0.00 H new ATOM 543 N ASP A 66 63.631 -5.000 7.130 1.00 0.00 N ATOM 544 CA ASP A 66 62.562 -4.450 8.030 1.00 0.00 C ATOM 545 C ASP A 66 61.704 -5.586 8.606 1.00 0.00 C ATOM 546 O ASP A 66 61.872 -6.735 8.246 1.00 0.00 O ATOM 547 CB ASP A 66 61.720 -3.496 7.161 1.00 0.00 C ATOM 548 CG ASP A 66 61.083 -4.233 5.973 1.00 0.00 C ATOM 549 OD1 ASP A 66 60.300 -5.137 6.212 1.00 0.00 O ATOM 550 OD2 ASP A 66 61.392 -3.878 4.847 1.00 0.00 O ATOM 0 H ASP A 66 63.375 -5.048 6.144 1.00 0.00 H new ATOM 0 HA ASP A 66 62.988 -3.923 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 66 60.939 -3.041 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.350 -2.686 6.793 1.00 0.00 H new ATOM 555 N ASP A 67 60.787 -5.260 9.490 1.00 0.00 N ATOM 556 CA ASP A 67 60.016 -6.319 10.234 1.00 0.00 C ATOM 557 C ASP A 67 59.209 -7.226 9.284 1.00 0.00 C ATOM 558 O ASP A 67 58.790 -8.301 9.676 1.00 0.00 O ATOM 559 CB ASP A 67 59.078 -5.571 11.202 1.00 0.00 C ATOM 560 CG ASP A 67 58.138 -4.627 10.437 1.00 0.00 C ATOM 561 OD1 ASP A 67 57.064 -5.068 10.062 1.00 0.00 O ATOM 562 OD2 ASP A 67 58.512 -3.482 10.241 1.00 0.00 O ATOM 0 H ASP A 67 60.536 -4.301 9.731 1.00 0.00 H new ATOM 0 HA ASP A 67 60.700 -6.980 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.491 -6.290 11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 67 59.669 -5.000 11.918 1.00 0.00 H new ATOM 567 N GLN A 68 58.992 -6.806 8.055 1.00 0.00 N ATOM 568 CA GLN A 68 58.253 -7.665 7.070 1.00 0.00 C ATOM 569 C GLN A 68 59.212 -8.532 6.234 1.00 0.00 C ATOM 570 O GLN A 68 58.774 -9.437 5.547 1.00 0.00 O ATOM 571 CB GLN A 68 57.498 -6.686 6.169 1.00 0.00 C ATOM 572 CG GLN A 68 56.371 -6.022 6.966 1.00 0.00 C ATOM 573 CD GLN A 68 55.642 -5.012 6.077 1.00 0.00 C ATOM 574 OE1 GLN A 68 56.257 -4.323 5.286 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.346 -4.893 6.173 1.00 0.00 N ATOM 0 H GLN A 68 59.296 -5.903 7.692 1.00 0.00 H new ATOM 0 HA GLN A 68 57.587 -8.361 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.181 -5.928 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.087 -7.212 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.672 -6.777 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.779 -5.521 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 68 53.829 -5.470 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 68 53.850 -4.223 5.585 1.00 0.00 H new ATOM 584 N GLY A 69 60.503 -8.267 6.283 1.00 0.00 N ATOM 585 CA GLY A 69 61.494 -9.117 5.549 1.00 0.00 C ATOM 586 C GLY A 69 61.751 -8.570 4.136 1.00 0.00 C ATOM 587 O GLY A 69 62.203 -9.301 3.272 1.00 0.00 O ATOM 0 H GLY A 69 60.911 -7.491 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.431 -9.152 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.124 -10.140 5.485 1.00 0.00 H new ATOM 591 N GLU A 70 61.468 -7.305 3.892 1.00 0.00 N ATOM 592 CA GLU A 70 61.901 -6.657 2.614 1.00 0.00 C ATOM 593 C GLU A 70 63.198 -5.876 2.842 1.00 0.00 C ATOM 594 O GLU A 70 63.382 -5.272 3.884 1.00 0.00 O ATOM 595 CB GLU A 70 60.762 -5.707 2.240 1.00 0.00 C ATOM 596 CG GLU A 70 59.519 -6.520 1.867 1.00 0.00 C ATOM 597 CD GLU A 70 58.402 -5.574 1.420 1.00 0.00 C ATOM 598 OE1 GLU A 70 58.689 -4.666 0.655 1.00 0.00 O ATOM 599 OE2 GLU A 70 57.278 -5.772 1.850 1.00 0.00 O ATOM 0 H GLU A 70 60.954 -6.696 4.529 1.00 0.00 H new ATOM 0 HA GLU A 70 62.095 -7.384 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.538 -5.044 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.061 -5.076 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.757 -7.221 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.189 -7.111 2.721 1.00 0.00 H new ATOM 606 N THR A 71 64.090 -5.893 1.876 1.00 0.00 N ATOM 607 CA THR A 71 65.367 -5.122 1.999 1.00 0.00 C ATOM 608 C THR A 71 65.226 -3.751 1.330 1.00 0.00 C ATOM 609 O THR A 71 64.835 -3.657 0.180 1.00 0.00 O ATOM 610 CB THR A 71 66.422 -5.961 1.271 1.00 0.00 C ATOM 611 OG1 THR A 71 65.904 -6.415 0.028 1.00 0.00 O ATOM 612 CG2 THR A 71 66.804 -7.162 2.138 1.00 0.00 C ATOM 0 H THR A 71 63.985 -6.412 1.004 1.00 0.00 H new ATOM 0 HA THR A 71 65.636 -4.946 3.041 1.00 0.00 H new ATOM 0 HB THR A 71 67.305 -5.349 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.423 -5.684 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.555 -7.760 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.210 -6.811 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.920 -7.772 2.325 1.00 0.00 H new ATOM 620 N THR A 72 65.543 -2.699 2.051 1.00 0.00 N ATOM 621 CA THR A 72 65.504 -1.325 1.463 1.00 0.00 C ATOM 622 C THR A 72 66.907 -0.893 1.025 1.00 0.00 C ATOM 623 O THR A 72 67.784 -0.698 1.850 1.00 0.00 O ATOM 624 CB THR A 72 64.992 -0.420 2.586 1.00 0.00 C ATOM 625 OG1 THR A 72 65.703 -0.700 3.785 1.00 0.00 O ATOM 626 CG2 THR A 72 63.500 -0.675 2.802 1.00 0.00 C ATOM 0 H THR A 72 65.829 -2.737 3.029 1.00 0.00 H new ATOM 0 HA THR A 72 64.867 -1.277 0.580 1.00 0.00 H new ATOM 0 HB THR A 72 65.146 0.624 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.656 -0.804 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.133 -0.032 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 72 62.957 -0.457 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.345 -1.719 3.076 1.00 0.00 H new ATOM 634 N LEU A 73 67.114 -0.748 -0.264 1.00 0.00 N ATOM 635 CA LEU A 73 68.461 -0.360 -0.789 1.00 0.00 C ATOM 636 C LEU A 73 68.511 1.143 -1.075 1.00 0.00 C ATOM 637 O LEU A 73 67.641 1.681 -1.738 1.00 0.00 O ATOM 638 CB LEU A 73 68.624 -1.154 -2.089 1.00 0.00 C ATOM 639 CG LEU A 73 68.912 -2.621 -1.762 1.00 0.00 C ATOM 640 CD1 LEU A 73 67.598 -3.354 -1.485 1.00 0.00 C ATOM 641 CD2 LEU A 73 69.620 -3.280 -2.948 1.00 0.00 C ATOM 0 H LEU A 73 66.400 -0.883 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 73 69.256 -0.573 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.718 -1.076 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.438 -0.737 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 73 69.550 -2.674 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 73 67.806 -4.398 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.092 -2.888 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 73 66.958 -3.299 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 69.825 -4.325 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 73 68.982 -3.224 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.558 -2.762 -3.145 1.00 0.00 H new ATOM 653 N ALA A 74 69.524 1.816 -0.576 1.00 0.00 N ATOM 654 CA ALA A 74 69.707 3.270 -0.878 1.00 0.00 C ATOM 655 C ALA A 74 71.197 3.629 -0.868 1.00 0.00 C ATOM 656 O ALA A 74 71.965 3.069 -0.110 1.00 0.00 O ATOM 657 CB ALA A 74 68.973 4.003 0.246 1.00 0.00 C ATOM 0 H ALA A 74 70.237 1.414 0.033 1.00 0.00 H new ATOM 0 HA ALA A 74 69.321 3.539 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.061 5.079 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 74 67.920 3.720 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.414 3.733 1.205 1.00 0.00 H new ATOM 663 N SER A 75 71.596 4.557 -1.710 1.00 0.00 N ATOM 664 CA SER A 75 73.026 4.995 -1.752 1.00 0.00 C ATOM 665 C SER A 75 73.103 6.499 -2.030 1.00 0.00 C ATOM 666 O SER A 75 72.121 7.111 -2.410 1.00 0.00 O ATOM 667 CB SER A 75 73.660 4.196 -2.891 1.00 0.00 C ATOM 668 OG SER A 75 73.059 4.572 -4.121 1.00 0.00 O ATOM 0 H SER A 75 70.985 5.032 -2.374 1.00 0.00 H new ATOM 0 HA SER A 75 73.542 4.820 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.734 4.381 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.526 3.128 -2.719 1.00 0.00 H new ATOM 0 HG SER A 75 73.465 4.062 -4.853 1.00 0.00 H new ATOM 674 N GLY A 76 74.265 7.090 -1.842 1.00 0.00 N ATOM 675 CA GLY A 76 74.414 8.566 -2.034 1.00 0.00 C ATOM 676 C GLY A 76 75.871 8.982 -1.817 1.00 0.00 C ATOM 677 O GLY A 76 76.765 8.154 -1.816 1.00 0.00 O ATOM 0 H GLY A 76 75.118 6.607 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.094 8.844 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.768 9.098 -1.336 1.00 0.00 H new ATOM 681 N CYS A 77 76.104 10.264 -1.631 1.00 0.00 N ATOM 682 CA CYS A 77 77.500 10.789 -1.512 1.00 0.00 C ATOM 683 C CYS A 77 77.887 10.947 -0.037 1.00 0.00 C ATOM 684 O CYS A 77 77.136 11.498 0.749 1.00 0.00 O ATOM 685 CB CYS A 77 77.465 12.161 -2.201 1.00 0.00 C ATOM 686 SG CYS A 77 77.820 11.980 -3.968 1.00 0.00 S ATOM 0 H CYS A 77 75.375 10.974 -1.556 1.00 0.00 H new ATOM 0 HA CYS A 77 78.231 10.118 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.486 12.620 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.196 12.826 -1.742 1.00 0.00 H new ATOM 691 N MET A 78 79.055 10.468 0.332 1.00 0.00 N ATOM 692 CA MET A 78 79.526 10.589 1.746 1.00 0.00 C ATOM 693 C MET A 78 80.517 11.751 1.877 1.00 0.00 C ATOM 694 O MET A 78 81.513 11.799 1.178 1.00 0.00 O ATOM 695 CB MET A 78 80.222 9.259 2.045 1.00 0.00 C ATOM 696 CG MET A 78 80.538 9.169 3.539 1.00 0.00 C ATOM 697 SD MET A 78 81.426 7.629 3.878 1.00 0.00 S ATOM 698 CE MET A 78 79.996 6.521 3.814 1.00 0.00 C ATOM 0 H MET A 78 79.706 9.995 -0.295 1.00 0.00 H new ATOM 0 HA MET A 78 78.708 10.789 2.438 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.583 8.428 1.748 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.140 9.179 1.463 1.00 0.00 H new ATOM 0 HG2 MET A 78 81.141 10.024 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.616 9.205 4.119 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.744 6.194 4.823 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.146 7.048 3.381 1.00 0.00 H new ATOM 0 HE3 MET A 78 80.236 5.653 3.200 1.00 0.00 H new ATOM 708 N LYS A 79 80.239 12.680 2.766 1.00 0.00 N ATOM 709 CA LYS A 79 81.195 13.813 3.017 1.00 0.00 C ATOM 710 C LYS A 79 82.487 13.289 3.655 1.00 0.00 C ATOM 711 O LYS A 79 82.573 12.128 4.019 1.00 0.00 O ATOM 712 CB LYS A 79 80.479 14.804 3.960 1.00 0.00 C ATOM 713 CG LYS A 79 80.028 14.110 5.258 1.00 0.00 C ATOM 714 CD LYS A 79 80.025 15.108 6.426 1.00 0.00 C ATOM 715 CE LYS A 79 78.963 16.200 6.214 1.00 0.00 C ATOM 716 NZ LYS A 79 77.640 15.503 6.198 1.00 0.00 N ATOM 0 H LYS A 79 79.389 12.703 3.330 1.00 0.00 H new ATOM 0 HA LYS A 79 81.473 14.305 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 79 81.148 15.630 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.614 15.232 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 79 79.030 13.692 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.695 13.278 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.828 14.581 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 79 81.009 15.566 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 79 79.002 16.941 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 79 79.134 16.731 5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 76.889 16.178 6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 77.461 15.120 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 77.649 14.725 6.888 1.00 0.00 H new ATOM 730 N TYR A 80 83.483 14.138 3.789 1.00 0.00 N ATOM 731 CA TYR A 80 84.809 13.690 4.341 1.00 0.00 C ATOM 732 C TYR A 80 84.662 13.246 5.803 1.00 0.00 C ATOM 733 O TYR A 80 83.999 13.901 6.588 1.00 0.00 O ATOM 734 CB TYR A 80 85.743 14.907 4.234 1.00 0.00 C ATOM 735 CG TYR A 80 85.282 16.118 5.018 1.00 0.00 C ATOM 736 CD1 TYR A 80 85.584 16.221 6.412 1.00 0.00 C ATOM 737 CD2 TYR A 80 84.550 17.159 4.368 1.00 0.00 C ATOM 738 CE1 TYR A 80 85.153 17.364 7.154 1.00 0.00 C ATOM 739 CE2 TYR A 80 84.119 18.302 5.109 1.00 0.00 C ATOM 740 CZ TYR A 80 84.420 18.404 6.503 1.00 0.00 C ATOM 741 OH TYR A 80 84.004 19.508 7.219 1.00 0.00 O ATOM 0 H TYR A 80 83.435 15.126 3.539 1.00 0.00 H new ATOM 0 HA TYR A 80 85.204 12.836 3.790 1.00 0.00 H new ATOM 0 HB2 TYR A 80 86.735 14.620 4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 80 85.841 15.184 3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 80 86.138 15.435 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 80 84.322 17.082 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 80 85.381 17.442 8.207 1.00 0.00 H new ATOM 0 HE2 TYR A 80 83.566 19.088 4.617 1.00 0.00 H new ATOM 0 HH TYR A 80 83.520 20.120 6.625 1.00 0.00 H new ATOM 751 N GLU A 81 85.279 12.141 6.161 1.00 0.00 N ATOM 752 CA GLU A 81 85.195 11.632 7.565 1.00 0.00 C ATOM 753 C GLU A 81 86.591 11.290 8.093 1.00 0.00 C ATOM 754 O GLU A 81 86.946 11.668 9.197 1.00 0.00 O ATOM 755 CB GLU A 81 84.332 10.372 7.478 1.00 0.00 C ATOM 756 CG GLU A 81 82.891 10.763 7.141 1.00 0.00 C ATOM 757 CD GLU A 81 81.993 9.525 7.204 1.00 0.00 C ATOM 758 OE1 GLU A 81 82.134 8.759 8.143 1.00 0.00 O ATOM 759 OE2 GLU A 81 81.177 9.366 6.310 1.00 0.00 O ATOM 0 H GLU A 81 85.841 11.567 5.532 1.00 0.00 H new ATOM 0 HA GLU A 81 84.773 12.371 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 81 84.726 9.700 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 81 84.362 9.832 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.535 11.518 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.847 11.206 6.146 1.00 0.00 H new ATOM 766 N GLY A 82 87.374 10.581 7.312 1.00 0.00 N ATOM 767 CA GLY A 82 88.755 10.203 7.744 1.00 0.00 C ATOM 768 C GLY A 82 89.047 8.752 7.348 1.00 0.00 C ATOM 769 O GLY A 82 90.166 8.416 7.002 1.00 0.00 O ATOM 0 H GLY A 82 87.110 10.246 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.485 10.869 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 82 88.853 10.321 8.823 1.00 0.00 H new ATOM 773 N SER A 83 88.047 7.898 7.398 1.00 0.00 N ATOM 774 CA SER A 83 88.260 6.449 7.068 1.00 0.00 C ATOM 775 C SER A 83 88.472 6.275 5.562 1.00 0.00 C ATOM 776 O SER A 83 87.582 6.543 4.773 1.00 0.00 O ATOM 777 CB SER A 83 86.986 5.724 7.514 1.00 0.00 C ATOM 778 OG SER A 83 86.863 5.813 8.926 1.00 0.00 O ATOM 0 H SER A 83 87.091 8.144 7.654 1.00 0.00 H new ATOM 0 HA SER A 83 89.142 6.049 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 83 86.114 6.168 7.033 1.00 0.00 H new ATOM 0 HB3 SER A 83 87.022 4.679 7.206 1.00 0.00 H new ATOM 0 HG SER A 83 86.048 5.351 9.213 1.00 0.00 H new ATOM 784 N ASP A 84 89.645 5.831 5.168 1.00 0.00 N ATOM 785 CA ASP A 84 89.944 5.638 3.710 1.00 0.00 C ATOM 786 C ASP A 84 89.324 4.332 3.207 1.00 0.00 C ATOM 787 O ASP A 84 88.862 4.257 2.081 1.00 0.00 O ATOM 788 CB ASP A 84 91.473 5.585 3.602 1.00 0.00 C ATOM 789 CG ASP A 84 92.053 6.977 3.851 1.00 0.00 C ATOM 790 OD1 ASP A 84 91.522 7.927 3.297 1.00 0.00 O ATOM 791 OD2 ASP A 84 93.020 7.072 4.589 1.00 0.00 O ATOM 0 H ASP A 84 90.412 5.593 5.797 1.00 0.00 H new ATOM 0 HA ASP A 84 89.528 6.442 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 84 91.875 4.878 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 84 91.766 5.229 2.614 1.00 0.00 H new ATOM 796 N PHE A 85 89.314 3.311 4.035 1.00 0.00 N ATOM 797 CA PHE A 85 88.668 2.017 3.655 1.00 0.00 C ATOM 798 C PHE A 85 88.250 1.243 4.915 1.00 0.00 C ATOM 799 O PHE A 85 88.878 0.271 5.298 1.00 0.00 O ATOM 800 CB PHE A 85 89.725 1.260 2.839 1.00 0.00 C ATOM 801 CG PHE A 85 91.004 0.975 3.592 1.00 0.00 C ATOM 802 CD1 PHE A 85 91.928 2.032 3.859 1.00 0.00 C ATOM 803 CD2 PHE A 85 91.295 -0.355 4.031 1.00 0.00 C ATOM 804 CE1 PHE A 85 93.141 1.761 4.565 1.00 0.00 C ATOM 805 CE2 PHE A 85 92.508 -0.626 4.738 1.00 0.00 C ATOM 806 CZ PHE A 85 93.431 0.433 5.006 1.00 0.00 C ATOM 0 H PHE A 85 89.731 3.322 4.966 1.00 0.00 H new ATOM 0 HA PHE A 85 87.757 2.158 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 85 89.298 0.316 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 85 89.963 1.840 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 85 91.710 3.036 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 85 90.598 -1.155 3.828 1.00 0.00 H new ATOM 0 HE1 PHE A 85 93.839 2.561 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 85 92.727 -1.630 5.070 1.00 0.00 H new ATOM 0 HZ PHE A 85 94.347 0.229 5.541 1.00 0.00 H new ATOM 816 N GLN A 86 87.184 1.677 5.551 1.00 0.00 N ATOM 817 CA GLN A 86 86.712 1.023 6.813 1.00 0.00 C ATOM 818 C GLN A 86 85.213 1.276 6.997 1.00 0.00 C ATOM 819 O GLN A 86 84.808 2.359 7.381 1.00 0.00 O ATOM 820 CB GLN A 86 87.510 1.679 7.942 1.00 0.00 C ATOM 821 CG GLN A 86 88.928 1.106 7.978 1.00 0.00 C ATOM 822 CD GLN A 86 89.612 1.520 9.283 1.00 0.00 C ATOM 823 OE1 GLN A 86 89.456 2.636 9.738 1.00 0.00 O ATOM 824 NE2 GLN A 86 90.370 0.661 9.908 1.00 0.00 N ATOM 0 H GLN A 86 86.616 2.466 5.244 1.00 0.00 H new ATOM 0 HA GLN A 86 86.861 -0.057 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 86 87.548 2.758 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 86 87.014 1.507 8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 86 88.895 0.019 7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 86 89.500 1.469 7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 86 90.501 -0.276 9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 86 90.831 0.926 10.778 1.00 0.00 H new ATOM 833 N CYS A 87 84.398 0.281 6.725 1.00 0.00 N ATOM 834 CA CYS A 87 82.914 0.459 6.802 1.00 0.00 C ATOM 835 C CYS A 87 82.261 -0.791 7.406 1.00 0.00 C ATOM 836 O CYS A 87 81.177 -1.185 7.010 1.00 0.00 O ATOM 837 CB CYS A 87 82.468 0.662 5.349 1.00 0.00 C ATOM 838 SG CYS A 87 83.064 2.264 4.753 1.00 0.00 S ATOM 0 H CYS A 87 84.702 -0.653 6.451 1.00 0.00 H new ATOM 0 HA CYS A 87 82.626 1.298 7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 87 82.859 -0.140 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 87 81.381 0.618 5.282 1.00 0.00 H new ATOM 843 N LYS A 88 82.918 -1.407 8.364 1.00 0.00 N ATOM 844 CA LYS A 88 82.361 -2.642 9.011 1.00 0.00 C ATOM 845 C LYS A 88 81.305 -2.263 10.053 1.00 0.00 C ATOM 846 O LYS A 88 81.106 -1.096 10.341 1.00 0.00 O ATOM 847 CB LYS A 88 83.550 -3.334 9.684 1.00 0.00 C ATOM 848 CG LYS A 88 84.527 -3.829 8.616 1.00 0.00 C ATOM 849 CD LYS A 88 85.655 -4.619 9.283 1.00 0.00 C ATOM 850 CE LYS A 88 86.699 -5.007 8.231 1.00 0.00 C ATOM 851 NZ LYS A 88 86.156 -6.236 7.588 1.00 0.00 N ATOM 0 H LYS A 88 83.822 -1.105 8.728 1.00 0.00 H new ATOM 0 HA LYS A 88 81.878 -3.295 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.053 -2.641 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.202 -4.171 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.006 -4.458 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.938 -2.984 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.118 -4.020 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 88 85.254 -5.513 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.841 -4.209 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.670 -5.197 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.853 -6.612 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 85.958 -6.951 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.277 -6.004 7.083 1.00 0.00 H new ATOM 865 N ASP A 89 80.637 -3.247 10.616 1.00 0.00 N ATOM 866 CA ASP A 89 79.574 -2.972 11.638 1.00 0.00 C ATOM 867 C ASP A 89 79.707 -3.935 12.827 1.00 0.00 C ATOM 868 O ASP A 89 79.924 -5.121 12.647 1.00 0.00 O ATOM 869 CB ASP A 89 78.232 -3.167 10.908 1.00 0.00 C ATOM 870 CG ASP A 89 78.110 -4.587 10.333 1.00 0.00 C ATOM 871 OD1 ASP A 89 77.711 -5.472 11.073 1.00 0.00 O ATOM 872 OD2 ASP A 89 78.417 -4.761 9.165 1.00 0.00 O ATOM 0 H ASP A 89 80.785 -4.235 10.409 1.00 0.00 H new ATOM 0 HA ASP A 89 79.656 -1.965 12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 89 77.410 -2.980 11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 89 78.144 -2.438 10.103 1.00 0.00 H new ATOM 877 N SER A 90 79.574 -3.423 14.030 1.00 0.00 N ATOM 878 CA SER A 90 79.649 -4.292 15.250 1.00 0.00 C ATOM 879 C SER A 90 78.328 -5.056 15.440 1.00 0.00 C ATOM 880 O SER A 90 77.305 -4.611 14.956 1.00 0.00 O ATOM 881 CB SER A 90 79.878 -3.341 16.430 1.00 0.00 C ATOM 882 OG SER A 90 80.904 -2.416 16.098 1.00 0.00 O ATOM 0 H SER A 90 79.416 -2.433 14.220 1.00 0.00 H new ATOM 0 HA SER A 90 80.447 -5.030 15.166 1.00 0.00 H new ATOM 0 HB2 SER A 90 78.956 -2.809 16.667 1.00 0.00 H new ATOM 0 HB3 SER A 90 80.157 -3.907 17.319 1.00 0.00 H new ATOM 0 HG SER A 90 81.051 -1.806 16.851 1.00 0.00 H new ATOM 888 N PRO A 91 78.379 -6.183 16.135 1.00 0.00 N ATOM 889 CA PRO A 91 77.129 -6.914 16.503 1.00 0.00 C ATOM 890 C PRO A 91 76.502 -6.332 17.784 1.00 0.00 C ATOM 891 O PRO A 91 76.220 -7.049 18.730 1.00 0.00 O ATOM 892 CB PRO A 91 77.659 -8.326 16.731 1.00 0.00 C ATOM 893 CG PRO A 91 78.989 -8.088 17.355 1.00 0.00 C ATOM 894 CD PRO A 91 79.574 -6.905 16.629 1.00 0.00 C ATOM 0 HA PRO A 91 76.338 -6.854 15.755 1.00 0.00 H new ATOM 0 HB2 PRO A 91 77.004 -8.902 17.384 1.00 0.00 H new ATOM 0 HB3 PRO A 91 77.745 -8.881 15.797 1.00 0.00 H new ATOM 0 HG2 PRO A 91 78.890 -7.883 18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 91 79.630 -8.964 17.257 1.00 0.00 H new ATOM 0 HD2 PRO A 91 80.174 -6.283 17.293 1.00 0.00 H new ATOM 0 HD3 PRO A 91 80.223 -7.216 15.810 1.00 0.00 H new ATOM 902 N LYS A 92 76.277 -5.037 17.805 1.00 0.00 N ATOM 903 CA LYS A 92 75.759 -4.356 19.034 1.00 0.00 C ATOM 904 C LYS A 92 75.034 -3.067 18.627 1.00 0.00 C ATOM 905 O LYS A 92 75.341 -1.984 19.101 1.00 0.00 O ATOM 906 CB LYS A 92 76.997 -4.064 19.886 1.00 0.00 C ATOM 907 CG LYS A 92 77.414 -5.342 20.610 1.00 0.00 C ATOM 908 CD LYS A 92 78.393 -4.997 21.735 1.00 0.00 C ATOM 909 CE LYS A 92 78.890 -6.287 22.393 1.00 0.00 C ATOM 910 NZ LYS A 92 79.465 -5.854 23.697 1.00 0.00 N ATOM 0 H LYS A 92 76.433 -4.417 17.011 1.00 0.00 H new ATOM 0 HA LYS A 92 75.043 -4.961 19.590 1.00 0.00 H new ATOM 0 HB2 LYS A 92 77.811 -3.705 19.257 1.00 0.00 H new ATOM 0 HB3 LYS A 92 76.780 -3.276 20.607 1.00 0.00 H new ATOM 0 HG2 LYS A 92 76.537 -5.844 21.018 1.00 0.00 H new ATOM 0 HG3 LYS A 92 77.879 -6.034 19.908 1.00 0.00 H new ATOM 0 HD2 LYS A 92 79.235 -4.431 21.337 1.00 0.00 H new ATOM 0 HD3 LYS A 92 77.904 -4.364 22.475 1.00 0.00 H new ATOM 0 HE2 LYS A 92 78.075 -6.997 22.536 1.00 0.00 H new ATOM 0 HE3 LYS A 92 79.639 -6.782 21.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 79.828 -6.683 24.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 80.242 -5.184 23.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 78.727 -5.392 24.266 1.00 0.00 H new ATOM 924 N ALA A 93 74.067 -3.195 17.753 1.00 0.00 N ATOM 925 CA ALA A 93 73.492 -2.002 17.062 1.00 0.00 C ATOM 926 C ALA A 93 72.063 -2.291 16.591 1.00 0.00 C ATOM 927 O ALA A 93 71.474 -3.295 16.954 1.00 0.00 O ATOM 928 CB ALA A 93 74.414 -1.738 15.871 1.00 0.00 C ATOM 0 H ALA A 93 73.647 -4.086 17.487 1.00 0.00 H new ATOM 0 HA ALA A 93 73.433 -1.138 17.724 1.00 0.00 H new ATOM 0 HB1 ALA A 93 74.052 -0.873 15.315 1.00 0.00 H new ATOM 0 HB2 ALA A 93 75.425 -1.542 16.230 1.00 0.00 H new ATOM 0 HB3 ALA A 93 74.424 -2.611 15.218 1.00 0.00 H new ATOM 934 N GLN A 94 71.513 -1.411 15.785 1.00 0.00 N ATOM 935 CA GLN A 94 70.084 -1.550 15.332 1.00 0.00 C ATOM 936 C GLN A 94 69.919 -2.813 14.477 1.00 0.00 C ATOM 937 O GLN A 94 70.808 -3.643 14.406 1.00 0.00 O ATOM 938 CB GLN A 94 69.778 -0.284 14.505 1.00 0.00 C ATOM 939 CG GLN A 94 68.358 0.212 14.805 1.00 0.00 C ATOM 940 CD GLN A 94 68.377 1.103 16.050 1.00 0.00 C ATOM 941 OE1 GLN A 94 68.974 2.162 16.043 1.00 0.00 O ATOM 942 NE2 GLN A 94 67.744 0.717 17.124 1.00 0.00 N ATOM 0 H GLN A 94 71.997 -0.592 15.416 1.00 0.00 H new ATOM 0 HA GLN A 94 69.400 -1.645 16.175 1.00 0.00 H new ATOM 0 HB2 GLN A 94 70.501 0.497 14.740 1.00 0.00 H new ATOM 0 HB3 GLN A 94 69.878 -0.502 13.442 1.00 0.00 H new ATOM 0 HG2 GLN A 94 67.969 0.769 13.953 1.00 0.00 H new ATOM 0 HG3 GLN A 94 67.692 -0.636 14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 94 67.243 -0.172 17.129 1.00 0.00 H new ATOM 0 HE22 GLN A 94 67.750 1.304 17.958 1.00 0.00 H new ATOM 951 N LEU A 95 68.784 -2.954 13.830 1.00 0.00 N ATOM 952 CA LEU A 95 68.399 -4.271 13.208 1.00 0.00 C ATOM 953 C LEU A 95 69.390 -4.633 12.092 1.00 0.00 C ATOM 954 O LEU A 95 70.128 -3.786 11.618 1.00 0.00 O ATOM 955 CB LEU A 95 66.987 -4.045 12.634 1.00 0.00 C ATOM 956 CG LEU A 95 66.174 -5.346 12.654 1.00 0.00 C ATOM 957 CD1 LEU A 95 65.887 -5.761 14.100 1.00 0.00 C ATOM 958 CD2 LEU A 95 64.847 -5.119 11.925 1.00 0.00 C ATOM 0 H LEU A 95 68.100 -2.208 13.704 1.00 0.00 H new ATOM 0 HA LEU A 95 68.415 -5.092 13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 95 66.472 -3.280 13.215 1.00 0.00 H new ATOM 0 HB3 LEU A 95 67.061 -3.673 11.612 1.00 0.00 H new ATOM 0 HG LEU A 95 66.743 -6.133 12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 95 65.309 -6.685 14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 95 66.828 -5.918 14.627 1.00 0.00 H new ATOM 0 HD13 LEU A 95 65.319 -4.975 14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 95 64.264 -6.040 11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 95 64.287 -4.329 12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 95 65.044 -4.826 10.894 1.00 0.00 H new ATOM 970 N ARG A 96 69.405 -5.878 11.671 1.00 0.00 N ATOM 971 CA ARG A 96 70.564 -6.403 10.875 1.00 0.00 C ATOM 972 C ARG A 96 70.609 -5.743 9.496 1.00 0.00 C ATOM 973 O ARG A 96 69.584 -5.429 8.917 1.00 0.00 O ATOM 974 CB ARG A 96 70.322 -7.908 10.722 1.00 0.00 C ATOM 975 CG ARG A 96 70.403 -8.585 12.092 1.00 0.00 C ATOM 976 CD ARG A 96 70.243 -10.100 11.926 1.00 0.00 C ATOM 977 NE ARG A 96 71.497 -10.569 11.244 1.00 0.00 N ATOM 978 CZ ARG A 96 71.549 -11.699 10.559 1.00 0.00 C ATOM 979 NH1 ARG A 96 70.515 -12.504 10.440 1.00 0.00 N ATOM 980 NH2 ARG A 96 72.673 -12.034 9.987 1.00 0.00 N ATOM 0 H ARG A 96 68.662 -6.555 11.845 1.00 0.00 H new ATOM 0 HA ARG A 96 71.512 -6.192 11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 96 69.344 -8.085 10.275 1.00 0.00 H new ATOM 0 HB3 ARG A 96 71.063 -8.339 10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 96 71.359 -8.360 12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 96 69.624 -8.196 12.748 1.00 0.00 H new ATOM 0 HD2 ARG A 96 70.117 -10.589 12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 96 69.361 -10.338 11.331 1.00 0.00 H new ATOM 0 HE ARG A 96 72.338 -9.996 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 96 69.629 -12.266 10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 96 70.599 -13.366 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 96 73.489 -11.429 10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 96 72.735 -12.901 9.454 1.00 0.00 H new ATOM 994 N ARG A 97 71.798 -5.537 8.976 1.00 0.00 N ATOM 995 CA ARG A 97 71.958 -4.803 7.684 1.00 0.00 C ATOM 996 C ARG A 97 73.337 -5.089 7.074 1.00 0.00 C ATOM 997 O ARG A 97 74.222 -5.597 7.739 1.00 0.00 O ATOM 998 CB ARG A 97 71.785 -3.313 8.025 1.00 0.00 C ATOM 999 CG ARG A 97 72.854 -2.843 9.022 1.00 0.00 C ATOM 1000 CD ARG A 97 72.549 -1.408 9.464 1.00 0.00 C ATOM 1001 NE ARG A 97 73.713 -0.988 10.318 1.00 0.00 N ATOM 1002 CZ ARG A 97 73.621 -0.015 11.209 1.00 0.00 C ATOM 1003 NH1 ARG A 97 72.513 0.668 11.404 1.00 0.00 N ATOM 1004 NH2 ARG A 97 74.673 0.284 11.920 1.00 0.00 N ATOM 0 H ARG A 97 72.672 -5.851 9.399 1.00 0.00 H new ATOM 0 HA ARG A 97 71.225 -5.117 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 97 71.848 -2.719 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 97 70.793 -3.146 8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 97 72.874 -3.505 9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 97 73.841 -2.891 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.437 -0.749 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 97 71.615 -1.361 10.025 1.00 0.00 H new ATOM 0 HE ARG A 97 74.605 -1.470 10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 97 71.679 0.455 10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 97 72.488 1.411 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 97 75.544 -0.229 11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 97 74.625 1.031 12.613 1.00 0.00 H new ATOM 1018 N THR A 98 73.509 -4.762 5.814 1.00 0.00 N ATOM 1019 CA THR A 98 74.862 -4.827 5.179 1.00 0.00 C ATOM 1020 C THR A 98 75.214 -3.459 4.589 1.00 0.00 C ATOM 1021 O THR A 98 74.338 -2.725 4.167 1.00 0.00 O ATOM 1022 CB THR A 98 74.741 -5.876 4.070 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.109 -7.040 4.586 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.135 -6.238 3.555 1.00 0.00 C ATOM 0 H THR A 98 72.761 -4.450 5.194 1.00 0.00 H new ATOM 0 HA THR A 98 75.645 -5.089 5.891 1.00 0.00 H new ATOM 0 HB THR A 98 74.146 -5.472 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 98 73.282 -7.211 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.049 -6.985 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.620 -5.346 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 98 76.731 -6.642 4.373 1.00 0.00 H new ATOM 1032 N ILE A 99 76.482 -3.119 4.562 1.00 0.00 N ATOM 1033 CA ILE A 99 76.900 -1.762 4.094 1.00 0.00 C ATOM 1034 C ILE A 99 78.215 -1.855 3.305 1.00 0.00 C ATOM 1035 O ILE A 99 79.008 -2.756 3.518 1.00 0.00 O ATOM 1036 CB ILE A 99 77.041 -0.916 5.376 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.392 0.531 5.007 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.130 -1.484 6.298 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.174 1.438 6.221 1.00 0.00 C ATOM 0 H ILE A 99 77.248 -3.729 4.846 1.00 0.00 H new ATOM 0 HA ILE A 99 76.179 -1.309 3.413 1.00 0.00 H new ATOM 0 HB ILE A 99 76.089 -0.944 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.429 0.591 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.773 0.865 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.207 -0.867 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 99 77.871 -2.504 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.086 -1.484 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.424 2.466 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.130 1.387 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.812 1.109 7.041 1.00 0.00 H new ATOM 1051 N GLU A 100 78.437 -0.926 2.403 1.00 0.00 N ATOM 1052 CA GLU A 100 79.687 -0.935 1.582 1.00 0.00 C ATOM 1053 C GLU A 100 80.103 0.495 1.220 1.00 0.00 C ATOM 1054 O GLU A 100 79.271 1.376 1.105 1.00 0.00 O ATOM 1055 CB GLU A 100 79.330 -1.721 0.319 1.00 0.00 C ATOM 1056 CG GLU A 100 79.098 -3.190 0.680 1.00 0.00 C ATOM 1057 CD GLU A 100 79.088 -4.038 -0.595 1.00 0.00 C ATOM 1058 OE1 GLU A 100 79.941 -3.818 -1.438 1.00 0.00 O ATOM 1059 OE2 GLU A 100 78.228 -4.897 -0.703 1.00 0.00 O ATOM 0 H GLU A 100 77.799 -0.157 2.201 1.00 0.00 H new ATOM 0 HA GLU A 100 80.524 -1.381 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.435 -1.303 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.133 -1.638 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.882 -3.537 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.151 -3.300 1.209 1.00 0.00 H new ATOM 1066 N CYS A 101 81.387 0.716 1.045 1.00 0.00 N ATOM 1067 CA CYS A 101 81.887 2.053 0.591 1.00 0.00 C ATOM 1068 C CYS A 101 83.078 1.874 -0.361 1.00 0.00 C ATOM 1069 O CYS A 101 83.767 0.869 -0.312 1.00 0.00 O ATOM 1070 CB CYS A 101 82.288 2.818 1.869 1.00 0.00 C ATOM 1071 SG CYS A 101 83.562 1.930 2.819 1.00 0.00 S ATOM 0 H CYS A 101 82.115 0.019 1.199 1.00 0.00 H new ATOM 0 HA CYS A 101 81.129 2.608 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 101 82.659 3.807 1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.408 2.968 2.494 1.00 0.00 H new ATOM 1076 N CYS A 102 83.317 2.842 -1.217 1.00 0.00 N ATOM 1077 CA CYS A 102 84.349 2.675 -2.297 1.00 0.00 C ATOM 1078 C CYS A 102 84.846 4.040 -2.789 1.00 0.00 C ATOM 1079 O CYS A 102 84.068 4.955 -2.993 1.00 0.00 O ATOM 1080 CB CYS A 102 83.681 1.875 -3.433 1.00 0.00 C ATOM 1081 SG CYS A 102 82.141 2.660 -4.000 1.00 0.00 S ATOM 0 H CYS A 102 82.841 3.744 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 102 85.225 2.144 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.373 1.786 -4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.467 0.863 -3.088 1.00 0.00 H new ATOM 1086 N ARG A 103 86.143 4.167 -2.975 1.00 0.00 N ATOM 1087 CA ARG A 103 86.756 5.499 -3.278 1.00 0.00 C ATOM 1088 C ARG A 103 87.222 5.561 -4.741 1.00 0.00 C ATOM 1089 O ARG A 103 88.349 5.928 -5.035 1.00 0.00 O ATOM 1090 CB ARG A 103 87.946 5.600 -2.317 1.00 0.00 C ATOM 1091 CG ARG A 103 88.238 7.071 -2.012 1.00 0.00 C ATOM 1092 CD ARG A 103 89.456 7.170 -1.086 1.00 0.00 C ATOM 1093 NE ARG A 103 89.597 8.629 -0.757 1.00 0.00 N ATOM 1094 CZ ARG A 103 90.744 9.154 -0.356 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.838 8.439 -0.197 1.00 0.00 N ATOM 1096 NH2 ARG A 103 90.792 10.433 -0.099 1.00 0.00 N ATOM 0 H ARG A 103 86.807 3.394 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 103 86.052 6.321 -3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.727 5.064 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.824 5.129 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.427 7.615 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.371 7.535 -1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.311 6.577 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 103 90.353 6.790 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 103 88.782 9.235 -0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 103 91.824 7.437 -0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.700 8.887 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 103 89.956 11.007 -0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 103 91.666 10.858 0.211 1.00 0.00 H new ATOM 1110 N THR A 104 86.351 5.204 -5.658 1.00 0.00 N ATOM 1111 CA THR A 104 86.690 5.269 -7.114 1.00 0.00 C ATOM 1112 C THR A 104 85.438 5.602 -7.925 1.00 0.00 C ATOM 1113 O THR A 104 84.333 5.282 -7.530 1.00 0.00 O ATOM 1114 CB THR A 104 87.225 3.877 -7.464 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.323 2.888 -6.992 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.591 3.675 -6.808 1.00 0.00 C ATOM 0 H THR A 104 85.410 4.867 -5.455 1.00 0.00 H new ATOM 0 HA THR A 104 87.424 6.043 -7.339 1.00 0.00 H new ATOM 0 HB THR A 104 87.325 3.790 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.666 1.998 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 104 88.971 2.684 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.285 4.432 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.492 3.764 -5.726 1.00 0.00 H new ATOM 1124 N ASN A 105 85.607 6.237 -9.059 1.00 0.00 N ATOM 1125 CA ASN A 105 84.446 6.906 -9.745 1.00 0.00 C ATOM 1126 C ASN A 105 83.364 5.894 -10.143 1.00 0.00 C ATOM 1127 O ASN A 105 83.645 4.854 -10.710 1.00 0.00 O ATOM 1128 CB ASN A 105 85.020 7.620 -10.983 1.00 0.00 C ATOM 1129 CG ASN A 105 85.721 6.622 -11.918 1.00 0.00 C ATOM 1130 OD1 ASN A 105 86.602 5.897 -11.501 1.00 0.00 O ATOM 1131 ND2 ASN A 105 85.360 6.556 -13.170 1.00 0.00 N ATOM 0 H ASN A 105 86.500 6.324 -9.544 1.00 0.00 H new ATOM 0 HA ASN A 105 83.961 7.614 -9.073 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.218 8.125 -11.520 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.727 8.388 -10.669 1.00 0.00 H new ATOM 0 HD21 ASN A 105 85.817 5.896 -13.799 1.00 0.00 H new ATOM 0 HD22 ASN A 105 84.620 7.165 -13.520 1.00 0.00 H new ATOM 1138 N LEU A 106 82.119 6.210 -9.839 1.00 0.00 N ATOM 1139 CA LEU A 106 80.953 5.318 -10.177 1.00 0.00 C ATOM 1140 C LEU A 106 81.161 3.882 -9.668 1.00 0.00 C ATOM 1141 O LEU A 106 80.625 2.945 -10.233 1.00 0.00 O ATOM 1142 CB LEU A 106 80.832 5.329 -11.711 1.00 0.00 C ATOM 1143 CG LEU A 106 80.586 6.754 -12.221 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.688 6.773 -13.747 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.188 7.221 -11.801 1.00 0.00 C ATOM 0 H LEU A 106 81.858 7.071 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 106 80.046 5.683 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.743 4.929 -12.156 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.014 4.679 -12.022 1.00 0.00 H new ATOM 0 HG LEU A 106 81.334 7.422 -11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.513 7.786 -14.111 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.683 6.445 -14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.941 6.102 -14.170 1.00 0.00 H new ATOM 0 HD21 LEU A 106 79.018 8.234 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.439 6.552 -12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.112 7.209 -10.714 1.00 0.00 H new ATOM 1157 N CYS A 107 81.934 3.712 -8.615 1.00 0.00 N ATOM 1158 CA CYS A 107 82.079 2.349 -7.987 1.00 0.00 C ATOM 1159 C CYS A 107 80.741 1.838 -7.428 1.00 0.00 C ATOM 1160 O CYS A 107 80.555 0.644 -7.275 1.00 0.00 O ATOM 1161 CB CYS A 107 83.133 2.479 -6.869 1.00 0.00 C ATOM 1162 SG CYS A 107 82.656 3.720 -5.629 1.00 0.00 S ATOM 0 H CYS A 107 82.469 4.454 -8.164 1.00 0.00 H new ATOM 0 HA CYS A 107 82.393 1.620 -8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.267 1.513 -6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.094 2.753 -7.306 1.00 0.00 H new ATOM 1167 N ASN A 108 79.821 2.728 -7.122 1.00 0.00 N ATOM 1168 CA ASN A 108 78.467 2.293 -6.630 1.00 0.00 C ATOM 1169 C ASN A 108 77.648 1.656 -7.762 1.00 0.00 C ATOM 1170 O ASN A 108 76.782 0.837 -7.508 1.00 0.00 O ATOM 1171 CB ASN A 108 77.773 3.566 -6.121 1.00 0.00 C ATOM 1172 CG ASN A 108 78.087 3.774 -4.636 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.173 3.470 -4.182 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.174 4.282 -3.856 1.00 0.00 N ATOM 0 H ASN A 108 79.949 3.738 -7.191 1.00 0.00 H new ATOM 0 HA ASN A 108 78.558 1.541 -5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.109 4.428 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.696 3.486 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.371 4.424 -2.865 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.263 4.537 -4.236 1.00 0.00 H new ATOM 1181 N GLN A 109 77.913 2.021 -9.001 1.00 0.00 N ATOM 1182 CA GLN A 109 77.065 1.537 -10.150 1.00 0.00 C ATOM 1183 C GLN A 109 77.117 0.004 -10.253 1.00 0.00 C ATOM 1184 O GLN A 109 76.102 -0.640 -10.455 1.00 0.00 O ATOM 1185 CB GLN A 109 77.669 2.176 -11.409 1.00 0.00 C ATOM 1186 CG GLN A 109 76.781 1.887 -12.626 1.00 0.00 C ATOM 1187 CD GLN A 109 75.504 2.722 -12.540 1.00 0.00 C ATOM 1188 OE1 GLN A 109 74.371 2.133 -12.276 1.00 0.00 O flip ATOM 1189 NE2 GLN A 109 75.537 3.924 -12.717 1.00 0.00 N flip ATOM 0 H GLN A 109 78.682 2.635 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 109 76.019 1.812 -10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.767 3.252 -11.268 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.672 1.784 -11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 109 77.319 2.121 -13.545 1.00 0.00 H new ATOM 0 HG3 GLN A 109 76.532 0.826 -12.663 1.00 0.00 H new ATOM 0 HE21 GLN A 109 76.423 4.385 -12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 109 74.679 4.472 -12.659 1.00 0.00 H new ATOM 1198 N TYR A 110 78.292 -0.568 -10.112 1.00 0.00 N ATOM 1199 CA TYR A 110 78.451 -2.048 -10.278 1.00 0.00 C ATOM 1200 C TYR A 110 78.513 -2.772 -8.924 1.00 0.00 C ATOM 1201 O TYR A 110 78.930 -3.917 -8.862 1.00 0.00 O ATOM 1202 CB TYR A 110 79.776 -2.212 -11.025 1.00 0.00 C ATOM 1203 CG TYR A 110 79.772 -1.602 -12.406 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.916 -2.136 -13.420 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.622 -0.493 -12.701 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.912 -1.559 -14.728 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.618 0.084 -14.009 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.763 -0.449 -15.022 1.00 0.00 C ATOM 1209 OH TYR A 110 79.758 0.108 -16.284 1.00 0.00 O ATOM 0 H TYR A 110 79.152 -0.068 -9.888 1.00 0.00 H new ATOM 0 HA TYR A 110 77.605 -2.481 -10.811 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.573 -1.756 -10.438 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.008 -3.274 -11.107 1.00 0.00 H new ATOM 0 HD1 TYR A 110 78.273 -2.975 -13.198 1.00 0.00 H new ATOM 0 HD2 TYR A 110 81.268 -0.090 -11.935 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.266 -1.962 -15.494 1.00 0.00 H new ATOM 0 HE2 TYR A 110 81.261 0.923 -14.231 1.00 0.00 H new ATOM 0 HH TYR A 110 80.393 0.854 -16.315 1.00 0.00 H new ATOM 1219 N LEU A 111 78.106 -2.127 -7.848 1.00 0.00 N ATOM 1220 CA LEU A 111 78.211 -2.754 -6.492 1.00 0.00 C ATOM 1221 C LEU A 111 76.816 -2.979 -5.900 1.00 0.00 C ATOM 1222 O LEU A 111 76.139 -2.037 -5.526 1.00 0.00 O ATOM 1223 CB LEU A 111 78.993 -1.744 -5.651 1.00 0.00 C ATOM 1224 CG LEU A 111 79.370 -2.375 -4.310 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.539 -3.342 -4.510 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.781 -1.277 -3.328 1.00 0.00 C ATOM 0 H LEU A 111 77.705 -1.189 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 111 78.701 -3.727 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.892 -1.431 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.392 -0.849 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 111 78.513 -2.918 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.807 -3.791 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.248 -4.125 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.396 -2.799 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 111 80.050 -1.726 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.637 -0.734 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.949 -0.588 -3.184 1.00 0.00 H new ATOM 1238 N GLN A 112 76.391 -4.220 -5.818 1.00 0.00 N ATOM 1239 CA GLN A 112 75.097 -4.549 -5.144 1.00 0.00 C ATOM 1240 C GLN A 112 75.356 -5.029 -3.702 1.00 0.00 C ATOM 1241 O GLN A 112 76.059 -6.007 -3.524 1.00 0.00 O ATOM 1242 CB GLN A 112 74.500 -5.687 -5.976 1.00 0.00 C ATOM 1243 CG GLN A 112 73.048 -5.923 -5.553 1.00 0.00 C ATOM 1244 CD GLN A 112 72.301 -6.648 -6.675 1.00 0.00 C ATOM 1245 OE1 GLN A 112 72.827 -7.561 -7.279 1.00 0.00 O ATOM 1246 NE2 GLN A 112 71.088 -6.276 -6.978 1.00 0.00 N ATOM 0 H GLN A 112 76.892 -5.025 -6.194 1.00 0.00 H new ATOM 0 HA GLN A 112 74.433 -3.687 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.545 -5.439 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 112 75.083 -6.598 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 112 73.016 -6.515 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.563 -4.972 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 112 70.648 -5.509 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.580 -6.752 -7.723 1.00 0.00 H new ATOM 1255 N PRO A 113 74.800 -4.342 -2.707 1.00 0.00 N ATOM 1256 CA PRO A 113 74.926 -4.824 -1.302 1.00 0.00 C ATOM 1257 C PRO A 113 74.084 -6.088 -1.097 1.00 0.00 C ATOM 1258 O PRO A 113 72.942 -6.149 -1.515 1.00 0.00 O ATOM 1259 CB PRO A 113 74.388 -3.665 -0.462 1.00 0.00 C ATOM 1260 CG PRO A 113 73.487 -2.907 -1.379 1.00 0.00 C ATOM 1261 CD PRO A 113 74.024 -3.085 -2.773 1.00 0.00 C ATOM 0 HA PRO A 113 75.948 -5.090 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.846 -4.029 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.198 -3.035 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.465 -3.279 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.461 -1.852 -1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.218 -3.153 -3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.652 -2.244 -3.068 1.00 0.00 H new ATOM 1269 N THR A 114 74.648 -7.087 -0.455 1.00 0.00 N ATOM 1270 CA THR A 114 73.902 -8.358 -0.200 1.00 0.00 C ATOM 1271 C THR A 114 74.197 -8.870 1.213 1.00 0.00 C ATOM 1272 O THR A 114 75.271 -8.643 1.744 1.00 0.00 O ATOM 1273 CB THR A 114 74.418 -9.344 -1.249 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.836 -9.383 -1.202 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.963 -8.897 -2.641 1.00 0.00 C ATOM 0 H THR A 114 75.602 -7.073 -0.095 1.00 0.00 H new ATOM 0 HA THR A 114 72.823 -8.222 -0.269 1.00 0.00 H new ATOM 0 HB THR A 114 74.020 -10.337 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 114 76.168 -10.016 -1.873 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.331 -9.601 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.874 -8.868 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.359 -7.904 -2.852 1.00 0.00 H new ATOM 1283 N LEU A 115 73.250 -9.557 1.814 1.00 0.00 N ATOM 1284 CA LEU A 115 73.464 -10.112 3.193 1.00 0.00 C ATOM 1285 C LEU A 115 74.478 -11.270 3.142 1.00 0.00 C ATOM 1286 O LEU A 115 74.620 -11.890 2.104 1.00 0.00 O ATOM 1287 CB LEU A 115 72.096 -10.622 3.661 1.00 0.00 C ATOM 1288 CG LEU A 115 71.284 -9.459 4.233 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.800 -9.828 4.248 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.752 -9.168 5.661 1.00 0.00 C ATOM 0 H LEU A 115 72.336 -9.758 1.408 1.00 0.00 H new ATOM 0 HA LEU A 115 73.861 -9.359 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.561 -11.077 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 115 72.224 -11.396 4.418 1.00 0.00 H new ATOM 0 HG LEU A 115 71.430 -8.574 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.223 -8.998 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.467 -10.037 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.651 -10.712 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.175 -8.339 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.606 -10.054 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.809 -8.904 5.651 1.00 0.00 H new ATOM 1302 N PRO A 116 75.159 -11.536 4.252 1.00 0.00 N ATOM 1303 CA PRO A 116 76.219 -12.589 4.260 1.00 0.00 C ATOM 1304 C PRO A 116 75.618 -13.976 3.945 1.00 0.00 C ATOM 1305 O PRO A 116 74.443 -14.185 4.182 1.00 0.00 O ATOM 1306 CB PRO A 116 76.785 -12.549 5.687 1.00 0.00 C ATOM 1307 CG PRO A 116 76.309 -11.260 6.272 1.00 0.00 C ATOM 1308 CD PRO A 116 75.023 -10.908 5.581 1.00 0.00 C ATOM 0 HA PRO A 116 76.985 -12.413 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 116 76.433 -13.399 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 116 77.874 -12.597 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 116 76.154 -11.359 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 116 77.051 -10.475 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 116 74.159 -11.295 6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 116 74.892 -9.829 5.503 1.00 0.00 H new ATOM 1316 N PRO A 117 76.432 -14.889 3.422 1.00 0.00 N ATOM 1317 CA PRO A 117 75.936 -16.262 3.108 1.00 0.00 C ATOM 1318 C PRO A 117 75.505 -16.992 4.388 1.00 0.00 C ATOM 1319 O PRO A 117 75.903 -16.626 5.480 1.00 0.00 O ATOM 1320 CB PRO A 117 77.135 -16.962 2.453 1.00 0.00 C ATOM 1321 CG PRO A 117 78.100 -15.876 2.109 1.00 0.00 C ATOM 1322 CD PRO A 117 77.859 -14.749 3.070 1.00 0.00 C ATOM 0 HA PRO A 117 75.061 -16.249 2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 117 77.586 -17.685 3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 117 76.829 -17.510 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 117 79.126 -16.235 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 117 77.955 -15.543 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 117 78.498 -14.829 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 117 78.066 -13.781 2.613 1.00 0.00 H new ATOM 1330 N VAL A 118 74.696 -18.020 4.251 1.00 0.00 N ATOM 1331 CA VAL A 118 74.230 -18.812 5.438 1.00 0.00 C ATOM 1332 C VAL A 118 73.979 -20.260 4.990 1.00 0.00 C ATOM 1333 O VAL A 118 73.897 -20.537 3.806 1.00 0.00 O ATOM 1334 CB VAL A 118 72.920 -18.158 5.927 1.00 0.00 C ATOM 1335 CG1 VAL A 118 72.413 -18.869 7.186 1.00 0.00 C ATOM 1336 CG2 VAL A 118 73.140 -16.679 6.269 1.00 0.00 C ATOM 0 H VAL A 118 74.335 -18.347 3.355 1.00 0.00 H new ATOM 0 HA VAL A 118 74.966 -18.821 6.242 1.00 0.00 H new ATOM 0 HB VAL A 118 72.189 -18.243 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 118 71.489 -18.399 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 118 72.225 -19.919 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 118 73.164 -18.796 7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 118 72.202 -16.241 6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 118 73.888 -16.595 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 118 73.486 -16.148 5.382 1.00 0.00 H new ATOM 1346 N VAL A 119 73.856 -21.171 5.930 1.00 0.00 N ATOM 1347 CA VAL A 119 73.642 -22.614 5.581 1.00 0.00 C ATOM 1348 C VAL A 119 72.138 -22.893 5.466 1.00 0.00 C ATOM 1349 O VAL A 119 71.371 -22.543 6.346 1.00 0.00 O ATOM 1350 CB VAL A 119 74.273 -23.422 6.736 1.00 0.00 C ATOM 1351 CG1 VAL A 119 74.129 -24.927 6.471 1.00 0.00 C ATOM 1352 CG2 VAL A 119 75.765 -23.093 6.858 1.00 0.00 C ATOM 0 H VAL A 119 73.895 -20.975 6.930 1.00 0.00 H new ATOM 0 HA VAL A 119 74.094 -22.885 4.627 1.00 0.00 H new ATOM 0 HB VAL A 119 73.756 -23.156 7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 119 74.578 -25.486 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 119 73.072 -25.183 6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 119 74.634 -25.182 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 119 76.199 -23.669 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 119 76.271 -23.347 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 119 75.888 -22.029 7.059 1.00 0.00 H new ATOM 1362 N ILE A 120 71.724 -23.517 4.385 1.00 0.00 N ATOM 1363 CA ILE A 120 70.280 -23.877 4.209 1.00 0.00 C ATOM 1364 C ILE A 120 70.034 -25.281 4.779 1.00 0.00 C ATOM 1365 O ILE A 120 70.583 -26.255 4.294 1.00 0.00 O ATOM 1366 CB ILE A 120 70.020 -23.839 2.687 1.00 0.00 C ATOM 1367 CG1 ILE A 120 70.312 -22.437 2.135 1.00 0.00 C ATOM 1368 CG2 ILE A 120 68.554 -24.182 2.391 1.00 0.00 C ATOM 1369 CD1 ILE A 120 70.393 -22.494 0.607 1.00 0.00 C ATOM 0 H ILE A 120 72.330 -23.793 3.613 1.00 0.00 H new ATOM 0 HA ILE A 120 69.612 -23.193 4.732 1.00 0.00 H new ATOM 0 HB ILE A 120 70.675 -24.569 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 120 69.529 -21.744 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 120 71.249 -22.061 2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 120 68.383 -24.152 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 120 68.331 -25.181 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 120 67.904 -23.457 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 120 70.600 -21.498 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 120 71.192 -23.174 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 120 69.445 -22.851 0.205 1.00 0.00 H new ATOM 1381 N GLY A 121 69.215 -25.378 5.803 1.00 0.00 N ATOM 1382 CA GLY A 121 68.901 -26.705 6.418 1.00 0.00 C ATOM 1383 C GLY A 121 67.496 -27.153 5.983 1.00 0.00 C ATOM 1384 O GLY A 121 66.755 -26.354 5.441 1.00 0.00 O ATOM 0 H GLY A 121 68.748 -24.584 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 121 69.641 -27.444 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 121 68.952 -26.635 7.505 1.00 0.00 H new ATOM 1388 N PRO A 122 67.156 -28.415 6.227 1.00 0.00 N ATOM 1389 CA PRO A 122 65.800 -28.939 5.849 1.00 0.00 C ATOM 1390 C PRO A 122 64.680 -28.132 6.520 1.00 0.00 C ATOM 1391 O PRO A 122 64.801 -27.733 7.666 1.00 0.00 O ATOM 1392 CB PRO A 122 65.825 -30.374 6.382 1.00 0.00 C ATOM 1393 CG PRO A 122 67.271 -30.724 6.394 1.00 0.00 C ATOM 1394 CD PRO A 122 67.968 -29.480 6.855 1.00 0.00 C ATOM 0 HA PRO A 122 65.605 -28.874 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 122 65.390 -30.438 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 122 65.256 -31.048 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 122 67.469 -31.559 7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 122 67.613 -31.024 5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 122 67.977 -29.398 7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 122 69.006 -29.449 6.524 1.00 0.00 H new ATOM 1402 N PHE A 123 63.599 -27.897 5.809 1.00 0.00 N ATOM 1403 CA PHE A 123 62.463 -27.101 6.379 1.00 0.00 C ATOM 1404 C PHE A 123 61.542 -28.007 7.206 1.00 0.00 C ATOM 1405 O PHE A 123 61.274 -29.134 6.826 1.00 0.00 O ATOM 1406 CB PHE A 123 61.713 -26.515 5.173 1.00 0.00 C ATOM 1407 CG PHE A 123 61.183 -27.549 4.205 1.00 0.00 C ATOM 1408 CD1 PHE A 123 59.972 -28.248 4.498 1.00 0.00 C ATOM 1409 CD2 PHE A 123 61.891 -27.822 2.993 1.00 0.00 C ATOM 1410 CE1 PHE A 123 59.469 -29.222 3.580 1.00 0.00 C ATOM 1411 CE2 PHE A 123 61.388 -28.797 2.076 1.00 0.00 C ATOM 1412 CZ PHE A 123 60.177 -29.498 2.370 1.00 0.00 C ATOM 0 H PHE A 123 63.455 -28.225 4.854 1.00 0.00 H new ATOM 0 HA PHE A 123 62.815 -26.313 7.045 1.00 0.00 H new ATOM 0 HB2 PHE A 123 60.879 -25.914 5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 123 62.382 -25.842 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 123 59.437 -28.041 5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 123 62.805 -27.292 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 123 58.553 -29.750 3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 123 61.923 -29.004 1.161 1.00 0.00 H new ATOM 0 HZ PHE A 123 59.798 -30.235 1.678 1.00 0.00 H new ATOM 1422 N PHE A 124 61.065 -27.515 8.328 1.00 0.00 N ATOM 1423 CA PHE A 124 60.135 -28.323 9.186 1.00 0.00 C ATOM 1424 C PHE A 124 58.754 -28.407 8.529 1.00 0.00 C ATOM 1425 O PHE A 124 58.362 -27.520 7.791 1.00 0.00 O ATOM 1426 CB PHE A 124 60.042 -27.578 10.522 1.00 0.00 C ATOM 1427 CG PHE A 124 61.345 -27.544 11.285 1.00 0.00 C ATOM 1428 CD1 PHE A 124 62.269 -26.473 11.078 1.00 0.00 C ATOM 1429 CD2 PHE A 124 61.657 -28.587 12.213 1.00 0.00 C ATOM 1430 CE1 PHE A 124 63.501 -26.443 11.800 1.00 0.00 C ATOM 1431 CE2 PHE A 124 62.889 -28.556 12.935 1.00 0.00 C ATOM 1432 CZ PHE A 124 63.812 -27.483 12.729 1.00 0.00 C ATOM 0 H PHE A 124 61.281 -26.585 8.688 1.00 0.00 H new ATOM 0 HA PHE A 124 60.496 -29.343 9.321 1.00 0.00 H new ATOM 0 HB2 PHE A 124 59.712 -26.556 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 124 59.280 -28.052 11.141 1.00 0.00 H new ATOM 0 HD1 PHE A 124 62.035 -25.687 10.376 1.00 0.00 H new ATOM 0 HD2 PHE A 124 60.961 -29.398 12.368 1.00 0.00 H new ATOM 0 HE1 PHE A 124 64.198 -25.633 11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 124 63.124 -29.343 13.637 1.00 0.00 H new ATOM 0 HZ PHE A 124 64.743 -27.459 13.275 1.00 0.00 H new ATOM 1442 N ASP A 125 58.024 -29.467 8.798 1.00 0.00 N ATOM 1443 CA ASP A 125 56.653 -29.625 8.207 1.00 0.00 C ATOM 1444 C ASP A 125 55.621 -28.837 9.033 1.00 0.00 C ATOM 1445 O ASP A 125 54.689 -29.398 9.586 1.00 0.00 O ATOM 1446 CB ASP A 125 56.361 -31.142 8.212 1.00 0.00 C ATOM 1447 CG ASP A 125 56.380 -31.705 9.641 1.00 0.00 C ATOM 1448 OD1 ASP A 125 57.403 -31.577 10.294 1.00 0.00 O ATOM 1449 OD2 ASP A 125 55.372 -32.254 10.053 1.00 0.00 O ATOM 0 H ASP A 125 58.320 -30.232 9.404 1.00 0.00 H new ATOM 0 HA ASP A 125 56.595 -29.229 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 125 55.388 -31.330 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 125 57.103 -31.660 7.604 1.00 0.00 H new ATOM 1454 N GLY A 126 55.792 -27.535 9.113 1.00 0.00 N ATOM 1455 CA GLY A 126 54.851 -26.679 9.900 1.00 0.00 C ATOM 1456 C GLY A 126 53.753 -26.145 8.976 1.00 0.00 C ATOM 1457 O GLY A 126 53.640 -26.563 7.837 1.00 0.00 O ATOM 0 H GLY A 126 56.552 -27.027 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 126 54.409 -27.257 10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 126 55.392 -25.850 10.357 1.00 0.00 H new ATOM 1461 N SER A 127 52.950 -25.226 9.466 1.00 0.00 N ATOM 1462 CA SER A 127 51.852 -24.639 8.628 1.00 0.00 C ATOM 1463 C SER A 127 52.420 -23.567 7.694 1.00 0.00 C ATOM 1464 O SER A 127 53.540 -23.120 7.869 1.00 0.00 O ATOM 1465 CB SER A 127 50.860 -24.016 9.617 1.00 0.00 C ATOM 1466 OG SER A 127 51.469 -22.903 10.257 1.00 0.00 O ATOM 0 H SER A 127 53.009 -24.856 10.415 1.00 0.00 H new ATOM 0 HA SER A 127 51.372 -25.392 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 127 49.958 -23.700 9.094 1.00 0.00 H new ATOM 0 HB3 SER A 127 50.556 -24.755 10.359 1.00 0.00 H new ATOM 0 HG SER A 127 50.836 -22.502 10.889 1.00 0.00 H new ATOM 1472 N ILE A 128 51.649 -23.158 6.710 1.00 0.00 N ATOM 1473 CA ILE A 128 52.126 -22.121 5.737 1.00 0.00 C ATOM 1474 C ILE A 128 51.765 -20.725 6.264 1.00 0.00 C ATOM 1475 O ILE A 128 50.676 -20.514 6.772 1.00 0.00 O ATOM 1476 CB ILE A 128 51.395 -22.419 4.408 1.00 0.00 C ATOM 1477 CG1 ILE A 128 51.667 -23.866 3.931 1.00 0.00 C ATOM 1478 CG2 ILE A 128 51.844 -21.432 3.320 1.00 0.00 C ATOM 1479 CD1 ILE A 128 53.172 -24.127 3.739 1.00 0.00 C ATOM 0 H ILE A 128 50.704 -23.501 6.539 1.00 0.00 H new ATOM 0 HA ILE A 128 53.207 -22.147 5.598 1.00 0.00 H new ATOM 0 HB ILE A 128 50.326 -22.306 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 128 51.265 -24.571 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 128 51.144 -24.044 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 128 51.321 -21.654 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 128 51.611 -20.414 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 128 52.919 -21.527 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 128 53.323 -25.153 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 128 53.568 -23.439 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 128 53.691 -23.974 4.685 1.00 0.00 H new ATOM 1491 N ARG A 129 52.673 -19.783 6.141 1.00 0.00 N ATOM 1492 CA ARG A 129 52.411 -18.392 6.632 1.00 0.00 C ATOM 1493 C ARG A 129 51.768 -17.554 5.524 1.00 0.00 C ATOM 1494 O ARG A 129 52.072 -17.802 4.369 1.00 0.00 O ATOM 1495 CB ARG A 129 53.784 -17.825 7.004 1.00 0.00 C ATOM 1496 CG ARG A 129 53.606 -16.501 7.750 1.00 0.00 C ATOM 1497 CD ARG A 129 54.977 -15.857 7.986 1.00 0.00 C ATOM 1498 NE ARG A 129 55.656 -16.712 9.020 1.00 0.00 N ATOM 1499 CZ ARG A 129 56.643 -16.256 9.776 1.00 0.00 C ATOM 1500 NH1 ARG A 129 57.113 -15.033 9.668 1.00 0.00 N ATOM 1501 NH2 ARG A 129 57.177 -17.055 10.658 1.00 0.00 N ATOM 1502 OXT ARG A 129 50.985 -16.678 5.849 1.00 0.00 O ATOM 0 H ARG A 129 53.591 -19.921 5.718 1.00 0.00 H new ATOM 0 HA ARG A 129 51.727 -18.381 7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 129 54.326 -18.536 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 129 54.381 -17.670 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 129 52.971 -15.829 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 129 53.105 -16.673 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 129 55.557 -15.823 7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 129 54.872 -14.830 8.335 1.00 0.00 H new ATOM 0 HE ARG A 129 55.346 -17.676 9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 129 56.716 -14.393 8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 129 57.875 -14.724 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 129 56.833 -18.010 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 129 57.938 -16.724 11.251 1.00 0.00 H new TER 1516 ARG A 129