USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 981 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 99 GLN : amide:sc= -0.754 K(o=-1.3,f=1.3) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= -0.571 USER MOD Set 2.1: A 52 HIS : no HE2:sc= -1.7 K(o=-1.7,f=-5.7!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 53 TYR OH : rot 115:sc= 0.182 USER MOD Set 3.2: A 57 HIS : no HE2:sc= -5.9! C(o=-5.7!,f=-3.8!) USER MOD Set 3.3: A 74 MET CE :methyl -165:sc= 0 (180deg=-0.365) USER MOD Set 4.1: A 51 GLN : amide:sc= -0.45 K(o=-1.4,f=-2.4!) USER MOD Set 4.2: A 59 MET CE :methyl 174:sc= -0.406 (180deg=-0.452) USER MOD Set 4.3: A 61 ASN : amide:sc= -0.565 K(o=-1.4,f=-2.7) USER MOD Set 5.1: A 50 SER OG : rot -78:sc= 0.275 USER MOD Set 5.2: A 60 THR OG1 : rot 38:sc= 0.719 USER MOD Set 6.1: A 41 GLN : amide:sc= 0 K(o=0.75,f=-0.37!) USER MOD Set 6.2: A 48 THR OG1 : rot -18:sc= 0.748 USER MOD Set 7.1: A 42 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.36) USER MOD Set 7.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 123 SER OG : rot -170:sc= -0.488 USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.157 (180deg=-1.3!) USER MOD Single : A 3 THR OG1 : rot 1:sc= 0.452 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -175:sc= -0.487 (180deg=-0.528) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 0.021 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.3!) USER MOD Single : A 14 TYR OH : rot -145:sc= 0.576 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 0.0189 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.3) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.349 (180deg=0.184) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -42:sc= 0.577 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -21:sc= 0.239 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -14:sc= 0.801 USER MOD Single : A 70 ASN : amide:sc= -0.0195 X(o=-0.019,f=-0.31) USER MOD Single : A 72 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.3) USER MOD Single : A 73 THR OG1 : rot -153:sc= 0.322 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0902) USER MOD Single : A 78 THR OG1 : rot 32:sc= 0.807 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= -0.0585 (180deg=-0.101) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.35) USER MOD Single : A 96 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.4!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 122:sc= 0.76 USER MOD Single : A 113 THR OG1 : rot -1:sc= 1.02 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.250 10.021 12.828 1.00 0.00 N ATOM 2 CA ALA A 1 0.955 9.277 12.495 1.00 0.00 C ATOM 3 C ALA A 1 0.596 7.962 11.846 1.00 0.00 C ATOM 4 O ALA A 1 -0.572 7.607 11.857 1.00 0.00 O ATOM 5 CB ALA A 1 1.782 9.029 13.782 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.245 10.933 12.327 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.086 9.473 12.541 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.282 10.190 13.854 1.00 0.00 H new ATOM 0 HA ALA A 1 1.551 9.858 11.791 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.685 8.472 13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.057 9.985 14.227 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.186 8.456 14.492 1.00 0.00 H new ATOM 11 N PHE A 2 1.588 7.234 11.282 1.00 0.00 N ATOM 12 CA PHE A 2 1.323 5.912 10.708 1.00 0.00 C ATOM 13 C PHE A 2 0.892 4.946 11.788 1.00 0.00 C ATOM 14 O PHE A 2 1.674 4.100 12.189 1.00 0.00 O ATOM 15 CB PHE A 2 2.585 5.365 9.989 1.00 0.00 C ATOM 16 CG PHE A 2 2.822 6.126 8.685 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.023 5.852 7.569 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.833 7.089 8.603 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.246 6.529 6.368 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.078 7.740 7.394 1.00 0.00 C ATOM 21 CZ PHE A 2 3.295 7.442 6.275 1.00 0.00 C ATOM 0 H PHE A 2 2.559 7.540 11.217 1.00 0.00 H new ATOM 0 HA PHE A 2 0.519 6.013 9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.454 5.464 10.639 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.462 4.302 9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.234 5.117 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.423 7.328 9.475 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.609 6.346 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.869 8.471 7.323 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.505 7.923 5.331 1.00 0.00 H new ATOM 31 N THR A 3 -0.362 5.048 12.282 1.00 0.00 N ATOM 32 CA THR A 3 -0.826 4.135 13.324 1.00 0.00 C ATOM 33 C THR A 3 -2.334 4.241 13.377 1.00 0.00 C ATOM 34 O THR A 3 -2.806 5.334 13.648 1.00 0.00 O ATOM 35 CB THR A 3 -0.257 4.518 14.724 1.00 0.00 C ATOM 36 OG1 THR A 3 1.175 4.399 14.791 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.833 3.601 15.834 1.00 0.00 C ATOM 0 H THR A 3 -1.048 5.739 11.979 1.00 0.00 H new ATOM 0 HA THR A 3 -0.489 3.126 13.088 1.00 0.00 H new ATOM 0 HB THR A 3 -0.550 5.557 14.877 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.520 4.104 13.922 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.418 3.893 16.799 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.918 3.700 15.861 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.569 2.565 15.623 1.00 0.00 H new ATOM 45 N GLY A 4 -3.105 3.158 13.128 1.00 0.00 N ATOM 46 CA GLY A 4 -4.560 3.257 13.232 1.00 0.00 C ATOM 47 C GLY A 4 -5.234 2.297 12.289 1.00 0.00 C ATOM 48 O GLY A 4 -4.532 1.574 11.600 1.00 0.00 O ATOM 0 H GLY A 4 -2.750 2.239 12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.870 3.046 14.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.876 4.276 13.007 1.00 0.00 H new ATOM 52 N LYS A 5 -6.588 2.296 12.249 1.00 0.00 N ATOM 53 CA LYS A 5 -7.306 1.482 11.272 1.00 0.00 C ATOM 54 C LYS A 5 -7.708 2.393 10.141 1.00 0.00 C ATOM 55 O LYS A 5 -7.997 3.550 10.403 1.00 0.00 O ATOM 56 CB LYS A 5 -8.517 0.754 11.908 1.00 0.00 C ATOM 57 CG LYS A 5 -9.280 -0.157 10.902 1.00 0.00 C ATOM 58 CD LYS A 5 -10.238 -1.136 11.640 1.00 0.00 C ATOM 59 CE LYS A 5 -10.813 -2.250 10.719 1.00 0.00 C ATOM 60 NZ LYS A 5 -11.795 -1.757 9.726 1.00 0.00 N ATOM 0 H LYS A 5 -7.183 2.841 12.872 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.665 0.685 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.170 0.149 12.746 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.207 1.495 12.313 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.851 0.461 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.564 -0.724 10.307 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.703 -1.600 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.063 -0.569 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.990 -2.734 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.287 -3.011 11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.134 -2.553 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.599 -1.320 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.342 -1.051 9.111 1.00 0.00 H new ATOM 74 N PHE A 6 -7.717 1.886 8.888 1.00 0.00 N ATOM 75 CA PHE A 6 -8.061 2.715 7.742 1.00 0.00 C ATOM 76 C PHE A 6 -8.809 1.874 6.738 1.00 0.00 C ATOM 77 O PHE A 6 -8.721 0.664 6.868 1.00 0.00 O ATOM 78 CB PHE A 6 -6.776 3.267 7.073 1.00 0.00 C ATOM 79 CG PHE A 6 -5.848 4.034 8.018 1.00 0.00 C ATOM 80 CD1 PHE A 6 -4.956 3.327 8.831 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.856 5.433 8.052 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.060 4.018 9.649 1.00 0.00 C ATOM 83 CE2 PHE A 6 -4.955 6.124 8.865 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.073 5.415 9.686 1.00 0.00 C ATOM 0 H PHE A 6 -7.491 0.918 8.660 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.677 3.549 8.077 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.223 2.435 6.637 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.063 3.925 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.960 2.247 8.826 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.563 5.981 7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.354 3.471 10.256 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.940 7.204 8.860 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.404 5.945 10.347 1.00 0.00 H new ATOM 94 N GLU A 7 -9.527 2.455 5.744 1.00 0.00 N ATOM 95 CA GLU A 7 -10.144 1.606 4.721 1.00 0.00 C ATOM 96 C GLU A 7 -10.108 2.318 3.388 1.00 0.00 C ATOM 97 O GLU A 7 -10.475 3.482 3.356 1.00 0.00 O ATOM 98 CB GLU A 7 -11.611 1.196 5.022 1.00 0.00 C ATOM 99 CG GLU A 7 -11.791 0.667 6.469 1.00 0.00 C ATOM 100 CD GLU A 7 -13.240 0.363 6.755 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.047 1.332 6.808 1.00 0.00 O ATOM 102 OE2 GLU A 7 -13.586 -0.836 6.933 1.00 0.00 O ATOM 0 H GLU A 7 -9.683 3.457 5.638 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.559 0.686 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.264 2.055 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.923 0.427 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.192 -0.233 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.424 1.408 7.179 1.00 0.00 H new ATOM 109 N MET A 8 -9.685 1.637 2.296 1.00 0.00 N ATOM 110 CA MET A 8 -9.709 2.252 0.970 1.00 0.00 C ATOM 111 C MET A 8 -11.106 2.779 0.728 1.00 0.00 C ATOM 112 O MET A 8 -12.028 2.012 0.949 1.00 0.00 O ATOM 113 CB MET A 8 -9.304 1.213 -0.110 1.00 0.00 C ATOM 114 CG MET A 8 -9.068 1.834 -1.516 1.00 0.00 C ATOM 115 SD MET A 8 -9.946 0.827 -2.754 1.00 0.00 S ATOM 116 CE MET A 8 -11.557 1.656 -2.648 1.00 0.00 C ATOM 0 H MET A 8 -9.331 0.680 2.316 1.00 0.00 H new ATOM 0 HA MET A 8 -8.994 3.073 0.913 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.395 0.705 0.210 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.084 0.455 -0.183 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.429 2.862 -1.540 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.002 1.865 -1.741 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.279 1.130 -3.273 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.901 1.652 -1.614 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.460 2.685 -2.994 1.00 0.00 H new ATOM 126 N GLU A 9 -11.292 4.050 0.297 1.00 0.00 N ATOM 127 CA GLU A 9 -12.622 4.531 -0.095 1.00 0.00 C ATOM 128 C GLU A 9 -12.677 4.664 -1.598 1.00 0.00 C ATOM 129 O GLU A 9 -13.586 4.115 -2.201 1.00 0.00 O ATOM 130 CB GLU A 9 -12.975 5.900 0.545 1.00 0.00 C ATOM 131 CG GLU A 9 -12.878 5.826 2.086 1.00 0.00 C ATOM 132 CD GLU A 9 -13.792 4.776 2.665 1.00 0.00 C ATOM 133 OE1 GLU A 9 -15.028 5.018 2.702 1.00 0.00 O ATOM 134 OE2 GLU A 9 -13.283 3.702 3.084 1.00 0.00 O ATOM 0 H GLU A 9 -10.548 4.743 0.216 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.350 3.803 0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.298 6.667 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.983 6.194 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.849 5.608 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.129 6.798 2.511 1.00 0.00 H new ATOM 141 N SER A 10 -11.708 5.388 -2.208 1.00 0.00 N ATOM 142 CA SER A 10 -11.681 5.543 -3.663 1.00 0.00 C ATOM 143 C SER A 10 -10.272 5.352 -4.186 1.00 0.00 C ATOM 144 O SER A 10 -9.345 5.345 -3.392 1.00 0.00 O ATOM 145 CB SER A 10 -12.264 6.924 -4.065 1.00 0.00 C ATOM 146 OG SER A 10 -11.511 8.016 -3.514 1.00 0.00 O ATOM 0 H SER A 10 -10.951 5.863 -1.716 1.00 0.00 H new ATOM 0 HA SER A 10 -12.307 4.775 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.278 7.007 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.298 6.992 -3.727 1.00 0.00 H new ATOM 0 HG SER A 10 -11.913 8.865 -3.794 1.00 0.00 H new ATOM 152 N GLU A 11 -10.118 5.184 -5.522 1.00 0.00 N ATOM 153 CA GLU A 11 -8.810 4.932 -6.130 1.00 0.00 C ATOM 154 C GLU A 11 -8.632 5.855 -7.313 1.00 0.00 C ATOM 155 O GLU A 11 -9.586 6.513 -7.697 1.00 0.00 O ATOM 156 CB GLU A 11 -8.799 3.477 -6.678 1.00 0.00 C ATOM 157 CG GLU A 11 -8.911 2.433 -5.540 1.00 0.00 C ATOM 158 CD GLU A 11 -8.759 1.016 -6.037 1.00 0.00 C ATOM 159 OE1 GLU A 11 -8.978 0.763 -7.252 1.00 0.00 O ATOM 160 OE2 GLU A 11 -8.418 0.133 -5.205 1.00 0.00 O ATOM 0 H GLU A 11 -10.889 5.220 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.023 5.089 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.626 3.345 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.880 3.307 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.147 2.635 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.877 2.540 -5.047 1.00 0.00 H new ATOM 167 N LYS A 12 -7.420 5.895 -7.911 1.00 0.00 N ATOM 168 CA LYS A 12 -7.214 6.677 -9.128 1.00 0.00 C ATOM 169 C LYS A 12 -6.032 6.091 -9.866 1.00 0.00 C ATOM 170 O LYS A 12 -5.041 5.835 -9.204 1.00 0.00 O ATOM 171 CB LYS A 12 -6.962 8.160 -8.748 1.00 0.00 C ATOM 172 CG LYS A 12 -6.301 8.967 -9.900 1.00 0.00 C ATOM 173 CD LYS A 12 -6.144 10.468 -9.538 1.00 0.00 C ATOM 174 CE LYS A 12 -5.399 11.241 -10.660 1.00 0.00 C ATOM 175 NZ LYS A 12 -5.228 12.671 -10.313 1.00 0.00 N ATOM 0 H LYS A 12 -6.593 5.403 -7.572 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.092 6.641 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.909 8.628 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.323 8.202 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.322 8.543 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.905 8.872 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.127 10.911 -9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.595 10.563 -8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.422 10.787 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.956 11.156 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.065 13.222 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.086 13.018 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.413 12.779 -9.676 1.00 0.00 H new ATOM 189 N ASN A 13 -6.107 5.865 -11.199 1.00 0.00 N ATOM 190 CA ASN A 13 -4.970 5.300 -11.928 1.00 0.00 C ATOM 191 C ASN A 13 -4.556 3.922 -11.452 1.00 0.00 C ATOM 192 O ASN A 13 -3.480 3.484 -11.827 1.00 0.00 O ATOM 193 CB ASN A 13 -3.791 6.312 -11.925 1.00 0.00 C ATOM 194 CG ASN A 13 -4.161 7.647 -12.527 1.00 0.00 C ATOM 195 OD1 ASN A 13 -5.285 7.825 -12.971 1.00 0.00 O ATOM 196 ND2 ASN A 13 -3.218 8.614 -12.552 1.00 0.00 N ATOM 0 H ASN A 13 -6.927 6.063 -11.772 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.293 5.138 -12.957 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.451 6.463 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.954 5.888 -12.480 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.435 9.528 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.289 8.431 -12.172 1.00 0.00 H new ATOM 203 N TYR A 14 -5.372 3.197 -10.650 1.00 0.00 N ATOM 204 CA TYR A 14 -4.989 1.850 -10.246 1.00 0.00 C ATOM 205 C TYR A 14 -5.100 0.897 -11.417 1.00 0.00 C ATOM 206 O TYR A 14 -4.253 0.033 -11.564 1.00 0.00 O ATOM 207 CB TYR A 14 -5.901 1.342 -9.092 1.00 0.00 C ATOM 208 CG TYR A 14 -7.135 0.603 -9.624 1.00 0.00 C ATOM 209 CD1 TYR A 14 -8.285 1.294 -10.018 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.095 -0.788 -9.748 1.00 0.00 C ATOM 211 CE1 TYR A 14 -9.307 0.618 -10.689 1.00 0.00 C ATOM 212 CE2 TYR A 14 -8.137 -1.466 -10.379 1.00 0.00 C ATOM 213 CZ TYR A 14 -9.243 -0.768 -10.869 1.00 0.00 C ATOM 214 OH TYR A 14 -10.277 -1.427 -11.535 1.00 0.00 O ATOM 0 H TYR A 14 -6.269 3.521 -10.287 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.956 1.886 -9.900 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.330 0.677 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.219 2.187 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.383 2.348 -9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.254 -1.340 -9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.153 1.170 -11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.089 -2.539 -10.490 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.406 -2.315 -11.141 1.00 0.00 H new ATOM 224 N ASP A 15 -6.160 1.017 -12.250 1.00 0.00 N ATOM 225 CA ASP A 15 -6.417 -0.008 -13.262 1.00 0.00 C ATOM 226 C ASP A 15 -5.239 -0.090 -14.196 1.00 0.00 C ATOM 227 O ASP A 15 -4.736 -1.170 -14.459 1.00 0.00 O ATOM 228 CB ASP A 15 -7.678 0.300 -14.114 1.00 0.00 C ATOM 229 CG ASP A 15 -8.160 -0.937 -14.829 1.00 0.00 C ATOM 230 OD1 ASP A 15 -7.369 -1.513 -15.625 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.333 -1.345 -14.604 1.00 0.00 O ATOM 0 H ASP A 15 -6.825 1.790 -12.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.579 -0.946 -12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.470 0.686 -13.472 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.449 1.079 -14.841 1.00 0.00 H new ATOM 236 N GLU A 16 -4.795 1.077 -14.705 1.00 0.00 N ATOM 237 CA GLU A 16 -3.641 1.081 -15.596 1.00 0.00 C ATOM 238 C GLU A 16 -2.435 0.573 -14.839 1.00 0.00 C ATOM 239 O GLU A 16 -1.724 -0.277 -15.347 1.00 0.00 O ATOM 240 CB GLU A 16 -3.330 2.492 -16.164 1.00 0.00 C ATOM 241 CG GLU A 16 -4.515 3.079 -16.976 1.00 0.00 C ATOM 242 CD GLU A 16 -4.064 4.313 -17.716 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.819 5.351 -17.042 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.949 4.257 -18.970 1.00 0.00 O ATOM 0 H GLU A 16 -5.206 1.991 -14.518 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.875 0.435 -16.442 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.088 3.166 -15.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.448 2.437 -16.802 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.888 2.336 -17.681 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.340 3.326 -16.307 1.00 0.00 H new ATOM 251 N PHE A 17 -2.171 1.060 -13.608 1.00 0.00 N ATOM 252 CA PHE A 17 -1.020 0.537 -12.871 1.00 0.00 C ATOM 253 C PHE A 17 -1.058 -0.970 -12.805 1.00 0.00 C ATOM 254 O PHE A 17 -0.020 -1.596 -12.922 1.00 0.00 O ATOM 255 CB PHE A 17 -1.008 1.045 -11.412 1.00 0.00 C ATOM 256 CG PHE A 17 0.271 0.610 -10.691 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.469 1.234 -11.052 1.00 0.00 C ATOM 258 CD2 PHE A 17 0.243 -0.336 -9.660 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.622 0.982 -10.313 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.393 -0.549 -8.897 1.00 0.00 C ATOM 261 CZ PHE A 17 2.598 0.037 -9.288 1.00 0.00 C ATOM 0 H PHE A 17 -2.713 1.779 -13.129 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.134 0.881 -13.405 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.084 2.132 -11.401 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.878 0.659 -10.881 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.500 1.906 -11.897 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.658 -0.895 -9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.533 1.518 -10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.350 -1.163 -8.010 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.517 -0.243 -8.794 1.00 0.00 H new ATOM 271 N MET A 18 -2.257 -1.557 -12.622 1.00 0.00 N ATOM 272 CA MET A 18 -2.379 -3.010 -12.553 1.00 0.00 C ATOM 273 C MET A 18 -2.088 -3.571 -13.926 1.00 0.00 C ATOM 274 O MET A 18 -1.404 -4.579 -14.013 1.00 0.00 O ATOM 275 CB MET A 18 -3.818 -3.423 -12.132 1.00 0.00 C ATOM 276 CG MET A 18 -4.022 -3.505 -10.597 1.00 0.00 C ATOM 277 SD MET A 18 -3.456 -2.022 -9.715 1.00 0.00 S ATOM 278 CE MET A 18 -3.790 -2.606 -8.023 1.00 0.00 C ATOM 0 H MET A 18 -3.136 -1.050 -12.522 1.00 0.00 H new ATOM 0 HA MET A 18 -1.678 -3.397 -11.813 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.527 -2.706 -12.546 1.00 0.00 H new ATOM 0 HB3 MET A 18 -4.051 -4.392 -12.572 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.080 -3.663 -10.386 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.487 -4.374 -10.213 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.509 -1.832 -7.309 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.852 -2.828 -7.918 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.210 -3.508 -7.828 1.00 0.00 H new ATOM 288 N LYS A 19 -2.610 -2.945 -15.006 1.00 0.00 N ATOM 289 CA LYS A 19 -2.445 -3.524 -16.338 1.00 0.00 C ATOM 290 C LYS A 19 -0.976 -3.580 -16.701 1.00 0.00 C ATOM 291 O LYS A 19 -0.589 -4.517 -17.382 1.00 0.00 O ATOM 292 CB LYS A 19 -3.420 -2.893 -17.386 1.00 0.00 C ATOM 293 CG LYS A 19 -2.878 -1.669 -18.176 1.00 0.00 C ATOM 294 CD LYS A 19 -2.082 -2.010 -19.472 1.00 0.00 C ATOM 295 CE LYS A 19 -2.959 -2.549 -20.639 1.00 0.00 C ATOM 296 NZ LYS A 19 -2.172 -2.679 -21.888 1.00 0.00 N ATOM 0 H LYS A 19 -3.131 -2.068 -14.975 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.765 -4.566 -16.340 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.701 -3.666 -18.102 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.331 -2.591 -16.869 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.719 -1.029 -18.444 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.233 -1.088 -17.516 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.559 -1.115 -19.809 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.321 -2.752 -19.232 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.375 -3.519 -20.366 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.800 -1.876 -20.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.784 -3.040 -22.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.796 -1.748 -22.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.384 -3.340 -21.734 1.00 0.00 H new ATOM 310 N LEU A 20 -0.130 -2.627 -16.236 1.00 0.00 N ATOM 311 CA LEU A 20 1.317 -2.770 -16.434 1.00 0.00 C ATOM 312 C LEU A 20 1.851 -3.762 -15.423 1.00 0.00 C ATOM 313 O LEU A 20 2.518 -4.709 -15.809 1.00 0.00 O ATOM 314 CB LEU A 20 2.133 -1.458 -16.222 1.00 0.00 C ATOM 315 CG LEU A 20 2.117 -0.489 -17.438 1.00 0.00 C ATOM 316 CD1 LEU A 20 0.677 -0.027 -17.775 1.00 0.00 C ATOM 317 CD2 LEU A 20 3.026 0.734 -17.141 1.00 0.00 C ATOM 0 H LEU A 20 -0.419 -1.784 -15.740 1.00 0.00 H new ATOM 0 HA LEU A 20 1.439 -3.083 -17.471 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.738 -0.935 -15.351 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.166 -1.720 -15.995 1.00 0.00 H new ATOM 0 HG LEU A 20 2.501 -1.022 -18.308 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.702 0.649 -18.630 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.064 -0.895 -18.017 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.250 0.490 -16.916 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.014 1.412 -17.994 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.657 1.255 -16.258 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.046 0.394 -16.962 1.00 0.00 H new ATOM 329 N LEU A 21 1.586 -3.523 -14.118 1.00 0.00 N ATOM 330 CA LEU A 21 2.239 -4.293 -13.058 1.00 0.00 C ATOM 331 C LEU A 21 2.116 -5.779 -13.326 1.00 0.00 C ATOM 332 O LEU A 21 3.088 -6.491 -13.130 1.00 0.00 O ATOM 333 CB LEU A 21 1.632 -3.922 -11.673 1.00 0.00 C ATOM 334 CG LEU A 21 2.424 -4.453 -10.445 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.753 -3.669 -10.251 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.576 -4.289 -9.156 1.00 0.00 C ATOM 0 H LEU A 21 0.933 -2.812 -13.787 1.00 0.00 H new ATOM 0 HA LEU A 21 3.300 -4.042 -13.045 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.565 -2.836 -11.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.614 -4.308 -11.624 1.00 0.00 H new ATOM 0 HG LEU A 21 2.647 -5.504 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.285 -4.063 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.374 -3.780 -11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.533 -2.613 -10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.138 -4.663 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.344 -3.235 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.649 -4.853 -9.256 1.00 0.00 H new ATOM 348 N GLY A 22 0.932 -6.244 -13.791 1.00 0.00 N ATOM 349 CA GLY A 22 0.750 -7.646 -14.170 1.00 0.00 C ATOM 350 C GLY A 22 -0.169 -8.309 -13.174 1.00 0.00 C ATOM 351 O GLY A 22 0.308 -9.114 -12.389 1.00 0.00 O ATOM 0 H GLY A 22 0.100 -5.665 -13.908 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.329 -7.713 -15.173 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.712 -8.158 -14.193 1.00 0.00 H new ATOM 355 N ILE A 23 -1.478 -7.956 -13.191 1.00 0.00 N ATOM 356 CA ILE A 23 -2.414 -8.413 -12.161 1.00 0.00 C ATOM 357 C ILE A 23 -3.681 -8.936 -12.810 1.00 0.00 C ATOM 358 O ILE A 23 -3.907 -8.626 -13.969 1.00 0.00 O ATOM 359 CB ILE A 23 -2.656 -7.193 -11.228 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.346 -6.661 -10.575 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.756 -7.457 -10.173 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.674 -7.628 -9.566 1.00 0.00 C ATOM 0 H ILE A 23 -1.897 -7.360 -13.905 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.025 -9.245 -11.574 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.026 -6.399 -11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.632 -6.432 -11.366 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.568 -5.724 -10.064 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.882 -6.572 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.696 -7.684 -10.676 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.466 -8.302 -9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.229 -7.167 -9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.365 -7.840 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.414 -8.558 -10.071 1.00 0.00 H new ATOM 374 N SER A 24 -4.505 -9.751 -12.099 1.00 0.00 N ATOM 375 CA SER A 24 -5.617 -10.437 -12.760 1.00 0.00 C ATOM 376 C SER A 24 -6.830 -9.558 -12.970 1.00 0.00 C ATOM 377 O SER A 24 -6.996 -8.589 -12.247 1.00 0.00 O ATOM 378 CB SER A 24 -6.061 -11.691 -11.956 1.00 0.00 C ATOM 379 OG SER A 24 -7.103 -12.425 -12.621 1.00 0.00 O ATOM 0 H SER A 24 -4.415 -9.937 -11.100 1.00 0.00 H new ATOM 0 HA SER A 24 -5.230 -10.723 -13.738 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.202 -12.344 -11.801 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.409 -11.383 -10.970 1.00 0.00 H new ATOM 0 HG SER A 24 -7.349 -13.205 -12.081 1.00 0.00 H new ATOM 385 N SER A 25 -7.695 -9.904 -13.953 1.00 0.00 N ATOM 386 CA SER A 25 -8.930 -9.153 -14.169 1.00 0.00 C ATOM 387 C SER A 25 -9.809 -9.217 -12.943 1.00 0.00 C ATOM 388 O SER A 25 -10.371 -8.204 -12.560 1.00 0.00 O ATOM 389 CB SER A 25 -9.736 -9.749 -15.352 1.00 0.00 C ATOM 390 OG SER A 25 -10.015 -11.131 -15.067 1.00 0.00 O ATOM 0 H SER A 25 -7.554 -10.686 -14.593 1.00 0.00 H new ATOM 0 HA SER A 25 -8.648 -8.122 -14.385 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.665 -9.197 -15.493 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.169 -9.661 -16.279 1.00 0.00 H new ATOM 0 HG SER A 25 -10.526 -11.521 -15.807 1.00 0.00 H new ATOM 396 N ASP A 26 -9.948 -10.411 -12.323 1.00 0.00 N ATOM 397 CA ASP A 26 -10.860 -10.542 -11.191 1.00 0.00 C ATOM 398 C ASP A 26 -10.530 -9.512 -10.139 1.00 0.00 C ATOM 399 O ASP A 26 -11.418 -8.794 -9.708 1.00 0.00 O ATOM 400 CB ASP A 26 -10.773 -11.951 -10.545 1.00 0.00 C ATOM 401 CG ASP A 26 -11.628 -12.013 -9.305 1.00 0.00 C ATOM 402 OD1 ASP A 26 -12.846 -12.311 -9.434 1.00 0.00 O ATOM 403 OD2 ASP A 26 -11.087 -11.761 -8.193 1.00 0.00 O ATOM 0 H ASP A 26 -9.454 -11.264 -12.584 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.870 -10.390 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.101 -12.706 -11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.738 -12.179 -10.293 1.00 0.00 H new ATOM 408 N VAL A 27 -9.251 -9.441 -9.711 1.00 0.00 N ATOM 409 CA VAL A 27 -8.906 -8.555 -8.605 1.00 0.00 C ATOM 410 C VAL A 27 -8.901 -7.119 -9.079 1.00 0.00 C ATOM 411 O VAL A 27 -9.263 -6.258 -8.294 1.00 0.00 O ATOM 412 CB VAL A 27 -7.589 -8.960 -7.883 1.00 0.00 C ATOM 413 CG1 VAL A 27 -7.629 -10.443 -7.418 1.00 0.00 C ATOM 414 CG2 VAL A 27 -6.331 -8.667 -8.732 1.00 0.00 C ATOM 0 H VAL A 27 -8.473 -9.970 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.677 -8.658 -7.841 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.516 -8.333 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.693 -10.693 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.460 -10.585 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.762 -11.092 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.441 -8.969 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.385 -9.225 -9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.279 -7.600 -8.949 1.00 0.00 H new ATOM 424 N ILE A 28 -8.519 -6.827 -10.346 1.00 0.00 N ATOM 425 CA ILE A 28 -8.622 -5.450 -10.838 1.00 0.00 C ATOM 426 C ILE A 28 -10.020 -4.942 -10.575 1.00 0.00 C ATOM 427 O ILE A 28 -10.180 -3.894 -9.970 1.00 0.00 O ATOM 428 CB ILE A 28 -8.293 -5.353 -12.367 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.752 -5.421 -12.562 1.00 0.00 C ATOM 430 CG2 ILE A 28 -8.884 -4.090 -13.069 1.00 0.00 C ATOM 431 CD1 ILE A 28 -6.291 -5.793 -13.997 1.00 0.00 C ATOM 0 H ILE A 28 -8.152 -7.503 -11.016 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.891 -4.837 -10.310 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.778 -6.201 -12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.324 -4.454 -12.298 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.344 -6.152 -11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.611 -4.099 -14.124 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.970 -4.096 -12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.484 -3.192 -12.598 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.202 -5.816 -14.035 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.684 -6.775 -14.262 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.663 -5.050 -14.703 1.00 0.00 H new ATOM 443 N GLU A 29 -11.055 -5.676 -11.036 1.00 0.00 N ATOM 444 CA GLU A 29 -12.419 -5.180 -10.870 1.00 0.00 C ATOM 445 C GLU A 29 -12.729 -4.962 -9.406 1.00 0.00 C ATOM 446 O GLU A 29 -13.466 -4.038 -9.094 1.00 0.00 O ATOM 447 CB GLU A 29 -13.478 -6.151 -11.463 1.00 0.00 C ATOM 448 CG GLU A 29 -13.390 -6.271 -13.010 1.00 0.00 C ATOM 449 CD GLU A 29 -13.587 -4.931 -13.672 1.00 0.00 C ATOM 450 OE1 GLU A 29 -14.746 -4.434 -13.673 1.00 0.00 O ATOM 451 OE2 GLU A 29 -12.589 -4.361 -14.191 1.00 0.00 O ATOM 0 H GLU A 29 -10.971 -6.577 -11.506 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.474 -4.237 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.347 -7.138 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.474 -5.807 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.419 -6.679 -13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.146 -6.971 -13.367 1.00 0.00 H new ATOM 458 N LYS A 30 -12.187 -5.796 -8.491 1.00 0.00 N ATOM 459 CA LYS A 30 -12.516 -5.631 -7.077 1.00 0.00 C ATOM 460 C LYS A 30 -11.844 -4.388 -6.545 1.00 0.00 C ATOM 461 O LYS A 30 -12.531 -3.570 -5.955 1.00 0.00 O ATOM 462 CB LYS A 30 -12.115 -6.871 -6.232 1.00 0.00 C ATOM 463 CG LYS A 30 -12.964 -8.118 -6.600 1.00 0.00 C ATOM 464 CD LYS A 30 -12.460 -9.382 -5.852 1.00 0.00 C ATOM 465 CE LYS A 30 -13.356 -10.613 -6.154 1.00 0.00 C ATOM 466 NZ LYS A 30 -12.812 -11.843 -5.535 1.00 0.00 N ATOM 0 H LYS A 30 -11.545 -6.559 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.598 -5.528 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.059 -7.091 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.240 -6.645 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.009 -7.936 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.919 -8.287 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.433 -9.596 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.450 -9.192 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.364 -10.431 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.435 -10.751 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.566 -12.555 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.043 -12.218 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.444 -11.622 -4.588 1.00 0.00 H new ATOM 480 N ALA A 31 -10.517 -4.225 -6.750 1.00 0.00 N ATOM 481 CA ALA A 31 -9.820 -3.034 -6.258 1.00 0.00 C ATOM 482 C ALA A 31 -10.684 -1.807 -6.441 1.00 0.00 C ATOM 483 O ALA A 31 -10.822 -1.023 -5.516 1.00 0.00 O ATOM 484 CB ALA A 31 -8.497 -2.820 -7.039 1.00 0.00 C ATOM 0 H ALA A 31 -9.925 -4.893 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.606 -3.185 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.991 -1.931 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.852 -3.688 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.717 -2.690 -8.099 1.00 0.00 H new ATOM 490 N ARG A 32 -11.294 -1.651 -7.638 1.00 0.00 N ATOM 491 CA ARG A 32 -12.180 -0.512 -7.857 1.00 0.00 C ATOM 492 C ARG A 32 -13.343 -0.601 -6.898 1.00 0.00 C ATOM 493 O ARG A 32 -13.533 0.326 -6.125 1.00 0.00 O ATOM 494 CB ARG A 32 -12.689 -0.453 -9.325 1.00 0.00 C ATOM 495 CG ARG A 32 -13.859 0.547 -9.525 1.00 0.00 C ATOM 496 CD ARG A 32 -14.258 0.648 -11.023 1.00 0.00 C ATOM 497 NE ARG A 32 -15.482 1.441 -11.164 1.00 0.00 N ATOM 498 CZ ARG A 32 -16.697 0.976 -10.946 1.00 0.00 C ATOM 499 NH1 ARG A 32 -16.947 -0.257 -10.564 1.00 0.00 N ATOM 500 NH2 ARG A 32 -17.718 1.786 -11.116 1.00 0.00 N ATOM 0 H ARG A 32 -11.188 -2.280 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.619 0.405 -7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.863 -0.172 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.013 -1.448 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.719 0.227 -8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.568 1.530 -9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.450 1.107 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.412 -0.349 -11.435 1.00 0.00 H new ATOM 0 HE ARG A 32 -15.388 2.416 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.179 -0.912 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.909 -0.558 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.561 2.750 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.668 1.451 -10.954 1.00 0.00 H new ATOM 514 N ASN A 33 -14.133 -1.700 -6.946 1.00 0.00 N ATOM 515 CA ASN A 33 -15.347 -1.788 -6.134 1.00 0.00 C ATOM 516 C ASN A 33 -15.116 -2.632 -4.900 1.00 0.00 C ATOM 517 O ASN A 33 -15.879 -3.555 -4.660 1.00 0.00 O ATOM 518 CB ASN A 33 -16.504 -2.326 -7.022 1.00 0.00 C ATOM 519 CG ASN A 33 -17.860 -2.288 -6.355 1.00 0.00 C ATOM 520 OD1 ASN A 33 -17.972 -1.842 -5.223 1.00 0.00 O ATOM 521 ND2 ASN A 33 -18.920 -2.753 -7.051 1.00 0.00 N ATOM 0 H ASN A 33 -13.948 -2.517 -7.529 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.626 -0.799 -5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.546 -1.740 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.280 -3.353 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -19.850 -2.739 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -18.790 -3.118 -7.994 1.00 0.00 H new ATOM 528 N PHE A 34 -14.072 -2.321 -4.096 1.00 0.00 N ATOM 529 CA PHE A 34 -13.863 -3.025 -2.831 1.00 0.00 C ATOM 530 C PHE A 34 -13.229 -2.080 -1.836 1.00 0.00 C ATOM 531 O PHE A 34 -12.101 -1.682 -2.079 1.00 0.00 O ATOM 532 CB PHE A 34 -12.915 -4.220 -3.102 1.00 0.00 C ATOM 533 CG PHE A 34 -12.597 -5.150 -1.917 1.00 0.00 C ATOM 534 CD1 PHE A 34 -13.182 -5.037 -0.648 1.00 0.00 C ATOM 535 CD2 PHE A 34 -11.668 -6.174 -2.135 1.00 0.00 C ATOM 536 CE1 PHE A 34 -12.852 -5.932 0.373 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.388 -7.115 -1.142 1.00 0.00 C ATOM 538 CZ PHE A 34 -11.978 -6.990 0.117 1.00 0.00 C ATOM 0 H PHE A 34 -13.380 -1.601 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.809 -3.382 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.352 -4.824 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.973 -3.824 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.896 -4.249 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.160 -6.237 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -13.273 -5.805 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.718 -7.936 -1.347 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.759 -7.710 0.891 1.00 0.00 H new ATOM 548 N LYS A 35 -13.906 -1.716 -0.718 1.00 0.00 N ATOM 549 CA LYS A 35 -13.225 -0.945 0.317 1.00 0.00 C ATOM 550 C LYS A 35 -12.238 -1.859 1.011 1.00 0.00 C ATOM 551 O LYS A 35 -12.519 -2.332 2.101 1.00 0.00 O ATOM 552 CB LYS A 35 -14.201 -0.285 1.331 1.00 0.00 C ATOM 553 CG LYS A 35 -15.094 0.791 0.653 1.00 0.00 C ATOM 554 CD LYS A 35 -15.930 1.571 1.704 1.00 0.00 C ATOM 555 CE LYS A 35 -16.765 2.702 1.045 1.00 0.00 C ATOM 556 NZ LYS A 35 -17.534 3.465 2.056 1.00 0.00 N ATOM 0 H LYS A 35 -14.883 -1.939 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.704 -0.112 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.833 -1.052 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.631 0.172 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.468 1.486 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.761 0.314 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.596 0.882 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.265 1.999 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.102 3.377 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.449 2.272 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.317 3.967 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.917 2.810 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.909 4.154 2.521 1.00 0.00 H new ATOM 570 N ILE A 36 -11.063 -2.103 0.383 1.00 0.00 N ATOM 571 CA ILE A 36 -10.014 -2.892 1.029 1.00 0.00 C ATOM 572 C ILE A 36 -9.769 -2.313 2.401 1.00 0.00 C ATOM 573 O ILE A 36 -9.880 -1.106 2.538 1.00 0.00 O ATOM 574 CB ILE A 36 -8.693 -2.896 0.188 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.812 -3.740 -1.122 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.431 -3.293 1.006 1.00 0.00 C ATOM 577 CD1 ILE A 36 -8.648 -5.269 -0.914 1.00 0.00 C ATOM 0 H ILE A 36 -10.830 -1.768 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.340 -3.929 1.107 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.551 -1.856 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.784 -3.549 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.057 -3.398 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.556 -3.273 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.291 -2.587 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.560 -4.297 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.744 -5.779 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.665 -5.475 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.419 -5.628 -0.233 1.00 0.00 H new ATOM 589 N VAL A 37 -9.449 -3.151 3.417 1.00 0.00 N ATOM 590 CA VAL A 37 -9.227 -2.635 4.763 1.00 0.00 C ATOM 591 C VAL A 37 -7.744 -2.506 4.943 1.00 0.00 C ATOM 592 O VAL A 37 -6.998 -3.223 4.295 1.00 0.00 O ATOM 593 CB VAL A 37 -9.859 -3.557 5.839 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.538 -3.139 7.300 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.391 -3.553 5.646 1.00 0.00 C ATOM 0 H VAL A 37 -9.344 -4.161 3.321 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.710 -1.666 4.886 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.426 -4.548 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.016 -3.834 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.459 -3.158 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.913 -2.132 7.481 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.854 -4.197 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.769 -2.537 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.633 -3.923 4.650 1.00 0.00 H new ATOM 605 N THR A 38 -7.321 -1.584 5.830 1.00 0.00 N ATOM 606 CA THR A 38 -5.904 -1.373 6.059 1.00 0.00 C ATOM 607 C THR A 38 -5.706 -1.068 7.520 1.00 0.00 C ATOM 608 O THR A 38 -6.564 -0.425 8.097 1.00 0.00 O ATOM 609 CB THR A 38 -5.381 -0.259 5.116 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.507 -0.649 3.737 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.921 0.144 5.450 1.00 0.00 C ATOM 0 H THR A 38 -7.938 -0.990 6.384 1.00 0.00 H new ATOM 0 HA THR A 38 -5.321 -2.264 5.824 1.00 0.00 H new ATOM 0 HB THR A 38 -6.004 0.621 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.172 0.070 3.162 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.594 0.927 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.871 0.513 6.474 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.271 -0.724 5.345 1.00 0.00 H new ATOM 619 N GLU A 39 -4.599 -1.539 8.130 1.00 0.00 N ATOM 620 CA GLU A 39 -4.355 -1.306 9.549 1.00 0.00 C ATOM 621 C GLU A 39 -2.879 -1.038 9.690 1.00 0.00 C ATOM 622 O GLU A 39 -2.140 -1.622 8.913 1.00 0.00 O ATOM 623 CB GLU A 39 -4.726 -2.585 10.350 1.00 0.00 C ATOM 624 CG GLU A 39 -6.261 -2.753 10.494 1.00 0.00 C ATOM 625 CD GLU A 39 -6.642 -4.081 11.097 1.00 0.00 C ATOM 626 OE1 GLU A 39 -5.880 -4.594 11.960 1.00 0.00 O ATOM 627 OE2 GLU A 39 -7.712 -4.626 10.711 1.00 0.00 O ATOM 0 H GLU A 39 -3.872 -2.077 7.658 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.949 -0.473 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.311 -3.460 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.272 -2.538 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.655 -1.949 11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.728 -2.655 9.514 1.00 0.00 H new ATOM 634 N VAL A 40 -2.435 -0.175 10.637 1.00 0.00 N ATOM 635 CA VAL A 40 -1.010 0.128 10.732 1.00 0.00 C ATOM 636 C VAL A 40 -0.564 0.262 12.167 1.00 0.00 C ATOM 637 O VAL A 40 -1.368 0.675 12.987 1.00 0.00 O ATOM 638 CB VAL A 40 -0.643 1.423 9.949 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.895 1.622 9.876 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.214 1.389 8.507 1.00 0.00 C ATOM 0 H VAL A 40 -3.028 0.301 11.317 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.485 -0.713 10.280 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.087 2.256 10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.118 2.535 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.300 1.701 10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.348 0.770 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.941 2.307 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.803 0.532 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.300 1.304 8.548 1.00 0.00 H new ATOM 650 N GLN A 41 0.717 -0.067 12.467 1.00 0.00 N ATOM 651 CA GLN A 41 1.274 0.217 13.784 1.00 0.00 C ATOM 652 C GLN A 41 2.733 0.580 13.597 1.00 0.00 C ATOM 653 O GLN A 41 3.526 -0.306 13.326 1.00 0.00 O ATOM 654 CB GLN A 41 1.108 -1.024 14.695 1.00 0.00 C ATOM 655 CG GLN A 41 1.732 -0.794 16.099 1.00 0.00 C ATOM 656 CD GLN A 41 1.609 -2.004 16.994 1.00 0.00 C ATOM 657 OE1 GLN A 41 1.112 -3.033 16.561 1.00 0.00 O ATOM 658 NE2 GLN A 41 2.064 -1.903 18.262 1.00 0.00 N ATOM 0 H GLN A 41 1.361 -0.520 11.819 1.00 0.00 H new ATOM 0 HA GLN A 41 0.755 1.046 14.265 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.049 -1.258 14.802 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.579 -1.887 14.224 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.785 -0.535 15.987 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.244 0.056 16.575 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.473 -1.028 18.589 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.999 -2.702 18.893 1.00 0.00 H new ATOM 667 N GLN A 42 3.108 1.871 13.731 1.00 0.00 N ATOM 668 CA GLN A 42 4.512 2.262 13.614 1.00 0.00 C ATOM 669 C GLN A 42 5.145 2.005 14.958 1.00 0.00 C ATOM 670 O GLN A 42 5.186 2.913 15.774 1.00 0.00 O ATOM 671 CB GLN A 42 4.624 3.753 13.193 1.00 0.00 C ATOM 672 CG GLN A 42 6.082 4.276 13.109 1.00 0.00 C ATOM 673 CD GLN A 42 6.076 5.712 12.633 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.451 5.970 11.500 1.00 0.00 O ATOM 675 NE2 GLN A 42 5.646 6.677 13.476 1.00 0.00 N ATOM 0 H GLN A 42 2.465 2.640 13.917 1.00 0.00 H new ATOM 0 HA GLN A 42 5.027 1.688 12.844 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.146 3.883 12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.070 4.364 13.906 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.561 4.207 14.086 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.663 3.657 12.425 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.338 6.432 14.417 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.629 7.650 13.171 1.00 0.00 H new ATOM 684 N ASP A 43 5.649 0.775 15.211 1.00 0.00 N ATOM 685 CA ASP A 43 6.372 0.511 16.444 1.00 0.00 C ATOM 686 C ASP A 43 7.783 1.011 16.232 1.00 0.00 C ATOM 687 O ASP A 43 8.699 0.210 16.122 1.00 0.00 O ATOM 688 CB ASP A 43 6.286 -1.003 16.783 1.00 0.00 C ATOM 689 CG ASP A 43 6.896 -1.906 15.741 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.541 -1.751 14.543 1.00 0.00 O ATOM 691 OD2 ASP A 43 7.727 -2.780 16.109 1.00 0.00 O ATOM 0 H ASP A 43 5.563 -0.025 14.583 1.00 0.00 H new ATOM 0 HA ASP A 43 5.947 1.027 17.305 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.784 -1.179 17.736 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.239 -1.275 16.915 1.00 0.00 H new ATOM 696 N GLY A 44 7.973 2.351 16.165 1.00 0.00 N ATOM 697 CA GLY A 44 9.312 2.887 15.950 1.00 0.00 C ATOM 698 C GLY A 44 9.792 2.641 14.540 1.00 0.00 C ATOM 699 O GLY A 44 8.984 2.483 13.639 1.00 0.00 O ATOM 0 H GLY A 44 7.235 3.049 16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.312 3.958 16.153 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.005 2.429 16.656 1.00 0.00 H new ATOM 703 N GLN A 45 11.132 2.620 14.362 1.00 0.00 N ATOM 704 CA GLN A 45 11.739 2.312 13.062 1.00 0.00 C ATOM 705 C GLN A 45 11.121 1.066 12.463 1.00 0.00 C ATOM 706 O GLN A 45 11.013 1.015 11.248 1.00 0.00 O ATOM 707 CB GLN A 45 13.278 2.144 13.262 1.00 0.00 C ATOM 708 CG GLN A 45 14.085 2.195 11.941 1.00 0.00 C ATOM 709 CD GLN A 45 15.564 1.972 12.157 1.00 0.00 C ATOM 710 OE1 GLN A 45 16.340 2.890 11.937 1.00 0.00 O ATOM 711 NE2 GLN A 45 15.994 0.765 12.586 1.00 0.00 N ATOM 0 H GLN A 45 11.805 2.813 15.103 1.00 0.00 H new ATOM 0 HA GLN A 45 11.553 3.127 12.362 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.637 2.929 13.928 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.470 1.193 13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.703 1.438 11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.933 3.163 11.463 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.323 0.017 12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 45 16.990 0.602 12.734 1.00 0.00 H new ATOM 720 N ASP A 46 10.694 0.061 13.268 1.00 0.00 N ATOM 721 CA ASP A 46 9.990 -1.088 12.697 1.00 0.00 C ATOM 722 C ASP A 46 8.524 -0.746 12.549 1.00 0.00 C ATOM 723 O ASP A 46 8.038 0.056 13.329 1.00 0.00 O ATOM 724 CB ASP A 46 10.153 -2.372 13.544 1.00 0.00 C ATOM 725 CG ASP A 46 9.347 -3.504 12.954 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.793 -4.079 11.924 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.260 -3.824 13.505 1.00 0.00 O ATOM 0 H ASP A 46 10.824 0.031 14.279 1.00 0.00 H new ATOM 0 HA ASP A 46 10.434 -1.298 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.205 -2.653 13.590 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.829 -2.183 14.567 1.00 0.00 H new ATOM 732 N PHE A 47 7.813 -1.341 11.558 1.00 0.00 N ATOM 733 CA PHE A 47 6.378 -1.106 11.389 1.00 0.00 C ATOM 734 C PHE A 47 5.678 -2.447 11.403 1.00 0.00 C ATOM 735 O PHE A 47 6.341 -3.454 11.206 1.00 0.00 O ATOM 736 CB PHE A 47 6.044 -0.422 10.035 1.00 0.00 C ATOM 737 CG PHE A 47 6.353 1.087 9.990 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.639 1.574 10.254 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.348 2.006 9.657 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.917 2.941 10.144 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.668 3.336 9.370 1.00 0.00 C ATOM 742 CZ PHE A 47 6.962 3.802 9.602 1.00 0.00 C ATOM 0 H PHE A 47 8.217 -1.981 10.874 1.00 0.00 H new ATOM 0 HA PHE A 47 6.051 -0.450 12.196 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.604 -0.919 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.986 -0.570 9.818 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.422 0.889 10.545 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.318 1.684 9.622 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.868 3.329 10.478 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.916 4.000 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.223 4.823 9.364 1.00 0.00 H new ATOM 752 N THR A 48 4.340 -2.460 11.614 1.00 0.00 N ATOM 753 CA THR A 48 3.563 -3.697 11.519 1.00 0.00 C ATOM 754 C THR A 48 2.354 -3.296 10.697 1.00 0.00 C ATOM 755 O THR A 48 1.297 -3.022 11.244 1.00 0.00 O ATOM 756 CB THR A 48 3.270 -4.318 12.928 1.00 0.00 C ATOM 757 OG1 THR A 48 1.907 -4.172 13.364 1.00 0.00 O ATOM 758 CG2 THR A 48 4.168 -3.710 14.037 1.00 0.00 C ATOM 0 H THR A 48 3.791 -1.633 11.848 1.00 0.00 H new ATOM 0 HA THR A 48 4.086 -4.520 11.033 1.00 0.00 H new ATOM 0 HB THR A 48 3.486 -5.377 12.786 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.469 -3.471 12.838 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.927 -4.172 14.994 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.216 -3.894 13.798 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.993 -2.636 14.099 1.00 0.00 H new ATOM 766 N TRP A 49 2.514 -3.215 9.356 1.00 0.00 N ATOM 767 CA TRP A 49 1.427 -2.734 8.505 1.00 0.00 C ATOM 768 C TRP A 49 0.556 -3.900 8.122 1.00 0.00 C ATOM 769 O TRP A 49 1.040 -5.018 8.191 1.00 0.00 O ATOM 770 CB TRP A 49 2.030 -2.168 7.198 1.00 0.00 C ATOM 771 CG TRP A 49 1.247 -1.168 6.396 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.201 -1.355 5.574 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.580 0.299 6.353 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.118 -0.217 5.010 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.701 0.778 5.402 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.495 1.113 7.013 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.761 2.102 4.970 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.480 2.470 6.674 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.673 2.939 5.627 1.00 0.00 C ATOM 0 H TRP A 49 3.367 -3.472 8.859 1.00 0.00 H new ATOM 0 HA TRP A 49 0.856 -1.974 9.038 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.985 -1.708 7.451 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.246 -3.013 6.545 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.299 -2.297 5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.891 -0.099 4.355 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.181 0.718 7.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.135 2.465 4.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.097 3.165 7.225 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.757 3.971 5.319 1.00 0.00 H new ATOM 790 N SER A 50 -0.692 -3.663 7.665 1.00 0.00 N ATOM 791 CA SER A 50 -1.428 -4.738 7.007 1.00 0.00 C ATOM 792 C SER A 50 -2.431 -4.192 6.022 1.00 0.00 C ATOM 793 O SER A 50 -2.887 -3.083 6.243 1.00 0.00 O ATOM 794 CB SER A 50 -2.142 -5.702 7.974 1.00 0.00 C ATOM 795 OG SER A 50 -1.226 -6.195 8.965 1.00 0.00 O ATOM 0 H SER A 50 -1.186 -2.773 7.739 1.00 0.00 H new ATOM 0 HA SER A 50 -0.665 -5.316 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.971 -5.189 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.567 -6.537 7.416 1.00 0.00 H new ATOM 0 HG SER A 50 -0.671 -6.902 8.575 1.00 0.00 H new ATOM 801 N GLN A 51 -2.777 -4.957 4.957 1.00 0.00 N ATOM 802 CA GLN A 51 -3.785 -4.518 3.998 1.00 0.00 C ATOM 803 C GLN A 51 -4.781 -5.651 3.923 1.00 0.00 C ATOM 804 O GLN A 51 -4.664 -6.496 3.050 1.00 0.00 O ATOM 805 CB GLN A 51 -3.143 -4.158 2.633 1.00 0.00 C ATOM 806 CG GLN A 51 -1.940 -3.195 2.826 1.00 0.00 C ATOM 807 CD GLN A 51 -1.378 -2.700 1.514 1.00 0.00 C ATOM 808 OE1 GLN A 51 -1.880 -3.062 0.461 1.00 0.00 O ATOM 809 NE2 GLN A 51 -0.318 -1.863 1.551 1.00 0.00 N ATOM 0 H GLN A 51 -2.370 -5.870 4.754 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.285 -3.599 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.810 -5.067 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.888 -3.692 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.255 -2.342 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.155 -3.706 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.077 -1.580 2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.087 -1.514 0.682 1.00 0.00 H new ATOM 818 N HIS A 52 -5.747 -5.702 4.870 1.00 0.00 N ATOM 819 CA HIS A 52 -6.593 -6.885 4.975 1.00 0.00 C ATOM 820 C HIS A 52 -7.606 -6.866 3.865 1.00 0.00 C ATOM 821 O HIS A 52 -8.046 -5.782 3.517 1.00 0.00 O ATOM 822 CB HIS A 52 -7.362 -7.065 6.311 1.00 0.00 C ATOM 823 CG HIS A 52 -6.500 -6.747 7.500 1.00 0.00 C ATOM 824 ND1 HIS A 52 -5.834 -7.643 8.188 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.298 -5.518 8.013 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.170 -7.057 9.132 1.00 0.00 C ATOM 827 NE2 HIS A 52 -5.398 -5.823 9.093 1.00 0.00 N ATOM 0 H HIS A 52 -5.946 -4.962 5.543 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.897 -7.721 4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.239 -6.418 6.315 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.722 -8.091 6.387 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -5.839 -8.647 8.007 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.701 -4.566 7.700 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.522 -7.551 9.841 1.00 0.00 H new ATOM 835 N TYR A 53 -8.000 -8.041 3.321 1.00 0.00 N ATOM 836 CA TYR A 53 -9.070 -8.072 2.327 1.00 0.00 C ATOM 837 C TYR A 53 -10.324 -8.447 3.085 1.00 0.00 C ATOM 838 O TYR A 53 -10.993 -9.390 2.693 1.00 0.00 O ATOM 839 CB TYR A 53 -8.759 -9.098 1.203 1.00 0.00 C ATOM 840 CG TYR A 53 -7.510 -8.828 0.343 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.578 -7.818 0.614 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.300 -9.644 -0.775 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.409 -7.701 -0.143 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.143 -9.517 -1.549 1.00 0.00 C ATOM 845 CZ TYR A 53 -5.174 -8.568 -1.216 1.00 0.00 C ATOM 846 OH TYR A 53 -3.994 -8.501 -1.966 1.00 0.00 O ATOM 0 H TYR A 53 -7.599 -8.950 3.552 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.183 -7.109 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.650 -10.081 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.623 -9.149 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.765 -7.121 1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.042 -10.382 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.684 -6.938 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.998 -10.155 -2.408 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.481 -9.327 -1.843 1.00 0.00 H new ATOM 856 N SER A 54 -10.642 -7.720 4.184 1.00 0.00 N ATOM 857 CA SER A 54 -11.796 -8.067 5.012 1.00 0.00 C ATOM 858 C SER A 54 -11.986 -9.566 5.099 1.00 0.00 C ATOM 859 O SER A 54 -13.105 -10.034 4.958 1.00 0.00 O ATOM 860 CB SER A 54 -13.037 -7.340 4.429 1.00 0.00 C ATOM 861 OG SER A 54 -14.215 -7.571 5.219 1.00 0.00 O ATOM 0 H SER A 54 -10.118 -6.905 4.504 1.00 0.00 H new ATOM 0 HA SER A 54 -11.638 -7.737 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.839 -6.269 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.212 -7.682 3.409 1.00 0.00 H new ATOM 0 HG SER A 54 -14.250 -8.513 5.487 1.00 0.00 H new ATOM 867 N GLY A 55 -10.896 -10.344 5.304 1.00 0.00 N ATOM 868 CA GLY A 55 -11.038 -11.797 5.264 1.00 0.00 C ATOM 869 C GLY A 55 -9.721 -12.533 5.341 1.00 0.00 C ATOM 870 O GLY A 55 -8.724 -11.936 5.716 1.00 0.00 O ATOM 0 H GLY A 55 -9.954 -9.999 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.672 -12.115 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.550 -12.079 4.344 1.00 0.00 H new ATOM 874 N GLY A 56 -9.719 -13.845 5.002 1.00 0.00 N ATOM 875 CA GLY A 56 -8.511 -14.654 5.147 1.00 0.00 C ATOM 876 C GLY A 56 -7.320 -14.080 4.420 1.00 0.00 C ATOM 877 O GLY A 56 -6.241 -14.085 4.992 1.00 0.00 O ATOM 0 H GLY A 56 -10.528 -14.346 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.271 -14.750 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.707 -15.659 4.773 1.00 0.00 H new ATOM 881 N HIS A 57 -7.480 -13.596 3.165 1.00 0.00 N ATOM 882 CA HIS A 57 -6.337 -13.022 2.455 1.00 0.00 C ATOM 883 C HIS A 57 -5.940 -11.768 3.196 1.00 0.00 C ATOM 884 O HIS A 57 -6.437 -10.706 2.856 1.00 0.00 O ATOM 885 CB HIS A 57 -6.634 -12.751 0.954 1.00 0.00 C ATOM 886 CG HIS A 57 -5.400 -12.308 0.196 1.00 0.00 C ATOM 887 ND1 HIS A 57 -4.828 -13.025 -0.747 1.00 0.00 N ATOM 888 CD2 HIS A 57 -4.722 -11.153 0.355 1.00 0.00 C ATOM 889 CE1 HIS A 57 -3.803 -12.390 -1.224 1.00 0.00 C ATOM 890 NE2 HIS A 57 -3.681 -11.296 -0.625 1.00 0.00 N ATOM 0 H HIS A 57 -8.359 -13.595 2.648 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.512 -13.734 2.443 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.034 -13.655 0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.404 -11.984 0.871 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.144 -13.944 -1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.911 -10.338 1.037 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.157 -12.747 -2.012 1.00 0.00 H new ATOM 898 N THR A 58 -5.046 -11.875 4.209 1.00 0.00 N ATOM 899 CA THR A 58 -4.477 -10.678 4.811 1.00 0.00 C ATOM 900 C THR A 58 -3.177 -10.449 4.078 1.00 0.00 C ATOM 901 O THR A 58 -2.216 -11.139 4.378 1.00 0.00 O ATOM 902 CB THR A 58 -4.231 -10.781 6.341 1.00 0.00 C ATOM 903 OG1 THR A 58 -5.512 -10.907 6.984 1.00 0.00 O ATOM 904 CG2 THR A 58 -3.452 -9.530 6.841 1.00 0.00 C ATOM 0 H THR A 58 -4.721 -12.756 4.606 1.00 0.00 H new ATOM 0 HA THR A 58 -5.182 -9.852 4.714 1.00 0.00 H new ATOM 0 HB THR A 58 -3.621 -11.652 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.386 -10.976 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.284 -9.611 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.493 -9.470 6.327 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.033 -8.632 6.631 1.00 0.00 H new ATOM 912 N MET A 59 -3.118 -9.488 3.130 1.00 0.00 N ATOM 913 CA MET A 59 -1.828 -9.140 2.537 1.00 0.00 C ATOM 914 C MET A 59 -1.165 -8.276 3.580 1.00 0.00 C ATOM 915 O MET A 59 -1.911 -7.639 4.309 1.00 0.00 O ATOM 916 CB MET A 59 -2.030 -8.346 1.218 1.00 0.00 C ATOM 917 CG MET A 59 -0.741 -8.186 0.357 1.00 0.00 C ATOM 918 SD MET A 59 -0.436 -6.437 -0.057 1.00 0.00 S ATOM 919 CE MET A 59 0.164 -5.841 1.548 1.00 0.00 C ATOM 0 H MET A 59 -3.918 -8.964 2.777 1.00 0.00 H new ATOM 0 HA MET A 59 -1.234 -10.017 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.791 -8.847 0.620 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.415 -7.356 1.460 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.114 -8.588 0.900 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.839 -8.768 -0.560 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.500 -4.809 1.450 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.642 -5.892 2.280 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.995 -6.463 1.880 1.00 0.00 H new ATOM 929 N THR A 60 0.183 -8.217 3.702 1.00 0.00 N ATOM 930 CA THR A 60 0.764 -7.388 4.755 1.00 0.00 C ATOM 931 C THR A 60 2.109 -6.797 4.396 1.00 0.00 C ATOM 932 O THR A 60 2.803 -7.377 3.575 1.00 0.00 O ATOM 933 CB THR A 60 0.773 -8.223 6.070 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.388 -7.888 6.848 1.00 0.00 O ATOM 935 CG2 THR A 60 2.059 -8.067 6.925 1.00 0.00 C ATOM 0 H THR A 60 0.851 -8.712 3.110 1.00 0.00 H new ATOM 0 HA THR A 60 0.146 -6.502 4.897 1.00 0.00 H new ATOM 0 HB THR A 60 0.755 -9.271 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.155 -7.758 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.978 -8.683 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.924 -8.385 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.180 -7.023 7.213 1.00 0.00 H new ATOM 943 N ASN A 61 2.472 -5.643 5.018 1.00 0.00 N ATOM 944 CA ASN A 61 3.764 -5.009 4.769 1.00 0.00 C ATOM 945 C ASN A 61 4.460 -4.736 6.088 1.00 0.00 C ATOM 946 O ASN A 61 4.592 -3.587 6.476 1.00 0.00 O ATOM 947 CB ASN A 61 3.614 -3.703 3.930 1.00 0.00 C ATOM 948 CG ASN A 61 2.894 -3.787 2.606 1.00 0.00 C ATOM 949 OD1 ASN A 61 2.113 -2.896 2.307 1.00 0.00 O ATOM 950 ND2 ASN A 61 3.144 -4.811 1.769 1.00 0.00 N ATOM 0 H ASN A 61 1.883 -5.148 5.688 1.00 0.00 H new ATOM 0 HA ASN A 61 4.375 -5.693 4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.095 -2.969 4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.614 -3.311 3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.677 -4.855 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.800 -5.543 2.041 1.00 0.00 H new ATOM 957 N LYS A 62 4.949 -5.773 6.807 1.00 0.00 N ATOM 958 CA LYS A 62 5.821 -5.493 7.948 1.00 0.00 C ATOM 959 C LYS A 62 7.152 -5.082 7.365 1.00 0.00 C ATOM 960 O LYS A 62 7.505 -5.607 6.321 1.00 0.00 O ATOM 961 CB LYS A 62 5.990 -6.655 8.966 1.00 0.00 C ATOM 962 CG LYS A 62 6.770 -7.881 8.410 1.00 0.00 C ATOM 963 CD LYS A 62 7.037 -8.971 9.488 1.00 0.00 C ATOM 964 CE LYS A 62 5.762 -9.575 10.146 1.00 0.00 C ATOM 965 NZ LYS A 62 4.820 -10.161 9.165 1.00 0.00 N ATOM 0 H LYS A 62 4.762 -6.759 6.624 1.00 0.00 H new ATOM 0 HA LYS A 62 5.358 -4.710 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.508 -6.278 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.003 -6.984 9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.206 -8.321 7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.721 -7.543 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.609 -9.779 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.662 -8.541 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.059 -10.344 10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.250 -8.797 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.993 -10.546 9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.510 -9.425 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.294 -10.924 8.642 1.00 0.00 H new ATOM 979 N PHE A 63 7.899 -4.158 8.010 1.00 0.00 N ATOM 980 CA PHE A 63 9.199 -3.759 7.471 1.00 0.00 C ATOM 981 C PHE A 63 9.935 -2.889 8.460 1.00 0.00 C ATOM 982 O PHE A 63 9.317 -2.466 9.424 1.00 0.00 O ATOM 983 CB PHE A 63 9.059 -2.988 6.128 1.00 0.00 C ATOM 984 CG PHE A 63 8.069 -1.822 6.265 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.424 -0.655 6.949 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.794 -1.917 5.697 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.492 0.375 7.111 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.845 -0.912 5.901 1.00 0.00 C ATOM 989 CZ PHE A 63 6.188 0.225 6.636 1.00 0.00 C ATOM 0 H PHE A 63 7.628 -3.693 8.876 1.00 0.00 H new ATOM 0 HA PHE A 63 9.761 -4.675 7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 63 10.033 -2.609 5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.719 -3.669 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.420 -0.549 7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.541 -2.777 5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.782 1.290 7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.851 -1.014 5.492 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.447 0.985 6.836 1.00 0.00 H new ATOM 999 N THR A 64 11.237 -2.603 8.215 1.00 0.00 N ATOM 1000 CA THR A 64 11.970 -1.655 9.049 1.00 0.00 C ATOM 1001 C THR A 64 12.574 -0.611 8.141 1.00 0.00 C ATOM 1002 O THR A 64 13.041 -0.983 7.076 1.00 0.00 O ATOM 1003 CB THR A 64 12.963 -2.418 9.952 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.204 -3.337 10.757 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.767 -1.448 10.853 1.00 0.00 C ATOM 0 H THR A 64 11.782 -3.014 7.457 1.00 0.00 H new ATOM 0 HA THR A 64 11.327 -1.118 9.747 1.00 0.00 H new ATOM 0 HB THR A 64 13.686 -2.952 9.335 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.271 -3.041 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.457 -2.017 11.476 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.330 -0.754 10.229 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.081 -0.889 11.489 1.00 0.00 H new ATOM 1013 N VAL A 65 12.532 0.690 8.530 1.00 0.00 N ATOM 1014 CA VAL A 65 12.872 1.763 7.610 1.00 0.00 C ATOM 1015 C VAL A 65 14.312 2.139 7.835 1.00 0.00 C ATOM 1016 O VAL A 65 14.816 1.919 8.925 1.00 0.00 O ATOM 1017 CB VAL A 65 11.884 2.964 7.734 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.442 2.495 8.048 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.333 4.050 8.740 1.00 0.00 C ATOM 0 H VAL A 65 12.268 1.000 9.465 1.00 0.00 H new ATOM 0 HA VAL A 65 12.765 1.426 6.579 1.00 0.00 H new ATOM 0 HB VAL A 65 11.894 3.435 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.786 3.362 8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.089 1.844 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.434 1.948 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.592 4.849 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.428 3.610 9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.295 4.457 8.430 1.00 0.00 H new ATOM 1029 N GLY A 66 15.005 2.676 6.807 1.00 0.00 N ATOM 1030 CA GLY A 66 16.440 2.875 6.942 1.00 0.00 C ATOM 1031 C GLY A 66 17.120 1.547 7.184 1.00 0.00 C ATOM 1032 O GLY A 66 18.219 1.567 7.715 1.00 0.00 O ATOM 0 H GLY A 66 14.603 2.965 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.839 3.339 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.646 3.555 7.768 1.00 0.00 H new ATOM 1036 N LYS A 67 16.500 0.399 6.803 1.00 0.00 N ATOM 1037 CA LYS A 67 17.127 -0.902 7.025 1.00 0.00 C ATOM 1038 C LYS A 67 16.870 -1.811 5.838 1.00 0.00 C ATOM 1039 O LYS A 67 17.840 -2.161 5.185 1.00 0.00 O ATOM 1040 CB LYS A 67 16.616 -1.493 8.369 1.00 0.00 C ATOM 1041 CG LYS A 67 17.464 -2.722 8.798 1.00 0.00 C ATOM 1042 CD LYS A 67 16.976 -3.312 10.149 1.00 0.00 C ATOM 1043 CE LYS A 67 17.888 -4.455 10.678 1.00 0.00 C ATOM 1044 NZ LYS A 67 17.949 -5.627 9.774 1.00 0.00 N ATOM 0 H LYS A 67 15.586 0.361 6.351 1.00 0.00 H new ATOM 0 HA LYS A 67 18.209 -0.798 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.659 -0.729 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.571 -1.786 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.410 -3.489 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.510 -2.430 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.933 -2.516 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.961 -3.691 10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.896 -4.067 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.525 -4.777 11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.573 -6.351 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.994 -6.021 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.323 -5.333 8.849 1.00 0.00 H new ATOM 1058 N GLU A 68 15.589 -2.173 5.566 1.00 0.00 N ATOM 1059 CA GLU A 68 15.181 -3.011 4.436 1.00 0.00 C ATOM 1060 C GLU A 68 14.528 -4.248 4.993 1.00 0.00 C ATOM 1061 O GLU A 68 14.828 -4.618 6.117 1.00 0.00 O ATOM 1062 CB GLU A 68 16.223 -3.433 3.360 1.00 0.00 C ATOM 1063 CG GLU A 68 17.079 -4.637 3.848 1.00 0.00 C ATOM 1064 CD GLU A 68 18.386 -4.806 3.114 1.00 0.00 C ATOM 1065 OE1 GLU A 68 18.838 -3.851 2.427 1.00 0.00 O ATOM 1066 OE2 GLU A 68 18.982 -5.912 3.224 1.00 0.00 O ATOM 0 H GLU A 68 14.804 -1.878 6.146 1.00 0.00 H new ATOM 0 HA GLU A 68 14.528 -2.350 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.709 -3.700 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.874 -2.590 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.286 -4.514 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.494 -5.551 3.741 1.00 0.00 H new ATOM 1073 N SER A 69 13.646 -4.898 4.203 1.00 0.00 N ATOM 1074 CA SER A 69 13.004 -6.121 4.670 1.00 0.00 C ATOM 1075 C SER A 69 12.418 -6.850 3.487 1.00 0.00 C ATOM 1076 O SER A 69 12.310 -6.224 2.445 1.00 0.00 O ATOM 1077 CB SER A 69 11.850 -5.757 5.641 1.00 0.00 C ATOM 1078 OG SER A 69 12.317 -4.997 6.767 1.00 0.00 O ATOM 0 H SER A 69 13.375 -4.598 3.266 1.00 0.00 H new ATOM 0 HA SER A 69 13.738 -6.747 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.092 -5.185 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.370 -6.670 5.993 1.00 0.00 H new ATOM 0 HG SER A 69 13.294 -5.056 6.819 1.00 0.00 H new ATOM 1084 N ASN A 70 12.023 -8.136 3.622 1.00 0.00 N ATOM 1085 CA ASN A 70 11.264 -8.765 2.545 1.00 0.00 C ATOM 1086 C ASN A 70 9.853 -8.238 2.691 1.00 0.00 C ATOM 1087 O ASN A 70 9.418 -8.115 3.825 1.00 0.00 O ATOM 1088 CB ASN A 70 11.271 -10.314 2.553 1.00 0.00 C ATOM 1089 CG ASN A 70 10.673 -10.876 3.822 1.00 0.00 C ATOM 1090 OD1 ASN A 70 9.461 -11.014 3.884 1.00 0.00 O ATOM 1091 ND2 ASN A 70 11.483 -11.207 4.853 1.00 0.00 N ATOM 0 H ASN A 70 12.211 -8.727 4.432 1.00 0.00 H new ATOM 0 HA ASN A 70 11.728 -8.514 1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.711 -10.684 1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.295 -10.673 2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.085 -11.584 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.492 -11.080 4.770 1.00 0.00 H new ATOM 1098 N ILE A 71 9.135 -7.905 1.591 1.00 0.00 N ATOM 1099 CA ILE A 71 7.801 -7.308 1.698 1.00 0.00 C ATOM 1100 C ILE A 71 6.901 -8.010 0.698 1.00 0.00 C ATOM 1101 O ILE A 71 7.394 -8.338 -0.368 1.00 0.00 O ATOM 1102 CB ILE A 71 7.923 -5.769 1.479 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.921 -5.164 2.510 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.542 -5.071 1.570 1.00 0.00 C ATOM 1105 CD1 ILE A 71 9.048 -3.619 2.450 1.00 0.00 C ATOM 0 H ILE A 71 9.461 -8.042 0.634 1.00 0.00 H new ATOM 0 HA ILE A 71 7.354 -7.440 2.683 1.00 0.00 H new ATOM 0 HB ILE A 71 8.306 -5.596 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.607 -5.452 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.905 -5.604 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.665 -3.999 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.878 -5.476 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.110 -5.246 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.763 -3.283 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.394 -3.321 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.076 -3.166 2.646 1.00 0.00 H new ATOM 1117 N GLN A 72 5.610 -8.279 1.018 1.00 0.00 N ATOM 1118 CA GLN A 72 4.774 -9.122 0.150 1.00 0.00 C ATOM 1119 C GLN A 72 4.326 -8.383 -1.090 1.00 0.00 C ATOM 1120 O GLN A 72 4.303 -8.972 -2.159 1.00 0.00 O ATOM 1121 CB GLN A 72 3.482 -9.605 0.871 1.00 0.00 C ATOM 1122 CG GLN A 72 3.782 -10.509 2.098 1.00 0.00 C ATOM 1123 CD GLN A 72 4.413 -11.834 1.735 1.00 0.00 C ATOM 1124 OE1 GLN A 72 4.394 -12.222 0.577 1.00 0.00 O ATOM 1125 NE2 GLN A 72 4.976 -12.565 2.723 1.00 0.00 N ATOM 0 H GLN A 72 5.140 -7.930 1.853 1.00 0.00 H new ATOM 0 HA GLN A 72 5.404 -9.971 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.907 -8.738 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.860 -10.154 0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.445 -9.975 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.853 -10.694 2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.976 -12.214 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.401 -13.468 2.511 1.00 0.00 H new ATOM 1134 N THR A 73 3.948 -7.098 -0.925 1.00 0.00 N ATOM 1135 CA THR A 73 3.530 -6.249 -2.040 1.00 0.00 C ATOM 1136 C THR A 73 2.238 -6.713 -2.671 1.00 0.00 C ATOM 1137 O THR A 73 1.844 -7.845 -2.445 1.00 0.00 O ATOM 1138 CB THR A 73 4.667 -5.978 -3.061 1.00 0.00 C ATOM 1139 OG1 THR A 73 5.230 -7.187 -3.586 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.794 -5.176 -2.369 1.00 0.00 C ATOM 0 H THR A 73 3.927 -6.631 -0.019 1.00 0.00 H new ATOM 0 HA THR A 73 3.306 -5.272 -1.611 1.00 0.00 H new ATOM 0 HB THR A 73 4.231 -5.418 -3.889 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.159 -7.026 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.595 -4.984 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.396 -4.228 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.186 -5.750 -1.530 1.00 0.00 H new ATOM 1148 N MET A 74 1.592 -5.797 -3.438 1.00 0.00 N ATOM 1149 CA MET A 74 0.276 -6.019 -4.046 1.00 0.00 C ATOM 1150 C MET A 74 -0.439 -7.281 -3.594 1.00 0.00 C ATOM 1151 O MET A 74 -1.361 -7.167 -2.801 1.00 0.00 O ATOM 1152 CB MET A 74 0.372 -5.845 -5.593 1.00 0.00 C ATOM 1153 CG MET A 74 -1.003 -5.575 -6.259 1.00 0.00 C ATOM 1154 SD MET A 74 -2.123 -7.003 -6.042 1.00 0.00 S ATOM 1155 CE MET A 74 -3.444 -6.341 -4.978 1.00 0.00 C ATOM 0 H MET A 74 1.983 -4.878 -3.647 1.00 0.00 H new ATOM 0 HA MET A 74 -0.390 -5.245 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.047 -5.020 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.810 -6.744 -6.028 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.454 -4.684 -5.823 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.864 -5.375 -7.321 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.026 -7.165 -4.565 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.002 -5.766 -4.164 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.096 -5.695 -5.566 1.00 0.00 H new ATOM 1165 N GLY A 75 -0.048 -8.487 -4.072 1.00 0.00 N ATOM 1166 CA GLY A 75 -0.717 -9.721 -3.661 1.00 0.00 C ATOM 1167 C GLY A 75 0.333 -10.625 -3.062 1.00 0.00 C ATOM 1168 O GLY A 75 0.467 -10.655 -1.848 1.00 0.00 O ATOM 0 H GLY A 75 0.718 -8.620 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.501 -9.509 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.195 -10.201 -4.515 1.00 0.00 H new ATOM 1172 N GLY A 76 1.100 -11.347 -3.912 1.00 0.00 N ATOM 1173 CA GLY A 76 2.184 -12.190 -3.418 1.00 0.00 C ATOM 1174 C GLY A 76 3.354 -12.105 -4.369 1.00 0.00 C ATOM 1175 O GLY A 76 3.957 -13.125 -4.664 1.00 0.00 O ATOM 0 H GLY A 76 0.982 -11.356 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.486 -11.867 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.846 -13.223 -3.330 1.00 0.00 H new ATOM 1179 N LYS A 77 3.681 -10.878 -4.839 1.00 0.00 N ATOM 1180 CA LYS A 77 4.815 -10.686 -5.744 1.00 0.00 C ATOM 1181 C LYS A 77 5.938 -10.209 -4.858 1.00 0.00 C ATOM 1182 O LYS A 77 6.407 -9.097 -5.028 1.00 0.00 O ATOM 1183 CB LYS A 77 4.436 -9.664 -6.856 1.00 0.00 C ATOM 1184 CG LYS A 77 3.262 -10.200 -7.725 1.00 0.00 C ATOM 1185 CD LYS A 77 2.527 -9.132 -8.589 1.00 0.00 C ATOM 1186 CE LYS A 77 3.222 -8.700 -9.914 1.00 0.00 C ATOM 1187 NZ LYS A 77 4.409 -7.826 -9.751 1.00 0.00 N ATOM 0 H LYS A 77 3.177 -10.023 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 77 5.109 -11.592 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.154 -8.714 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.303 -9.470 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.647 -10.976 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.533 -10.675 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.537 -9.517 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.380 -8.242 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.523 -9.596 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.492 -8.181 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.678 -7.430 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.183 -7.052 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.200 -8.383 -9.370 1.00 0.00 H new ATOM 1201 N THR A 78 6.361 -11.036 -3.875 1.00 0.00 N ATOM 1202 CA THR A 78 7.276 -10.534 -2.854 1.00 0.00 C ATOM 1203 C THR A 78 8.550 -9.976 -3.444 1.00 0.00 C ATOM 1204 O THR A 78 8.924 -10.359 -4.541 1.00 0.00 O ATOM 1205 CB THR A 78 7.653 -11.602 -1.784 1.00 0.00 C ATOM 1206 OG1 THR A 78 8.384 -11.027 -0.686 1.00 0.00 O ATOM 1207 CG2 THR A 78 8.559 -12.707 -2.384 1.00 0.00 C ATOM 0 H THR A 78 6.090 -12.014 -3.777 1.00 0.00 H new ATOM 0 HA THR A 78 6.720 -9.734 -2.365 1.00 0.00 H new ATOM 0 HB THR A 78 6.706 -12.016 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.083 -10.106 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.804 -13.436 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.034 -13.205 -3.200 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.477 -12.258 -2.763 1.00 0.00 H new ATOM 1215 N PHE A 79 9.232 -9.086 -2.689 1.00 0.00 N ATOM 1216 CA PHE A 79 10.567 -8.630 -3.071 1.00 0.00 C ATOM 1217 C PHE A 79 11.253 -8.105 -1.829 1.00 0.00 C ATOM 1218 O PHE A 79 10.572 -7.946 -0.830 1.00 0.00 O ATOM 1219 CB PHE A 79 10.588 -7.478 -4.114 1.00 0.00 C ATOM 1220 CG PHE A 79 9.388 -7.468 -5.066 1.00 0.00 C ATOM 1221 CD1 PHE A 79 8.231 -6.777 -4.700 1.00 0.00 C ATOM 1222 CD2 PHE A 79 9.438 -8.107 -6.309 1.00 0.00 C ATOM 1223 CE1 PHE A 79 7.231 -6.528 -5.643 1.00 0.00 C ATOM 1224 CE2 PHE A 79 8.385 -7.956 -7.217 1.00 0.00 C ATOM 1225 CZ PHE A 79 7.295 -7.143 -6.894 1.00 0.00 C ATOM 0 H PHE A 79 8.877 -8.679 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 79 11.061 -9.489 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.625 -6.526 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 79 11.503 -7.552 -4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.109 -6.434 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.290 -8.718 -6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.413 -5.864 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 79 8.414 -8.468 -8.168 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.503 -6.991 -7.612 1.00 0.00 H new ATOM 1235 N LYS A 80 12.567 -7.799 -1.886 1.00 0.00 N ATOM 1236 CA LYS A 80 13.214 -7.092 -0.781 1.00 0.00 C ATOM 1237 C LYS A 80 13.370 -5.653 -1.220 1.00 0.00 C ATOM 1238 O LYS A 80 13.736 -5.442 -2.366 1.00 0.00 O ATOM 1239 CB LYS A 80 14.535 -7.789 -0.384 1.00 0.00 C ATOM 1240 CG LYS A 80 15.198 -7.129 0.859 1.00 0.00 C ATOM 1241 CD LYS A 80 16.706 -7.487 1.001 1.00 0.00 C ATOM 1242 CE LYS A 80 17.665 -6.496 0.274 1.00 0.00 C ATOM 1243 NZ LYS A 80 17.526 -6.441 -1.200 1.00 0.00 N ATOM 0 H LYS A 80 13.180 -8.027 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 80 12.618 -7.112 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.340 -8.841 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.228 -7.755 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.091 -6.046 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.668 -7.445 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.964 -7.515 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.869 -8.490 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.498 -5.496 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.692 -6.769 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.250 -5.807 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.649 -7.395 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.581 -6.083 -1.446 1.00 0.00 H new ATOM 1257 N ALA A 81 13.076 -4.665 -0.341 1.00 0.00 N ATOM 1258 CA ALA A 81 13.074 -3.259 -0.746 1.00 0.00 C ATOM 1259 C ALA A 81 13.568 -2.422 0.403 1.00 0.00 C ATOM 1260 O ALA A 81 13.485 -2.919 1.515 1.00 0.00 O ATOM 1261 CB ALA A 81 11.614 -2.855 -1.021 1.00 0.00 C ATOM 0 H ALA A 81 12.841 -4.823 0.639 1.00 0.00 H new ATOM 0 HA ALA A 81 13.704 -3.114 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.577 -1.809 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.207 -3.480 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.022 -2.990 -0.115 1.00 0.00 H new ATOM 1267 N THR A 82 14.062 -1.183 0.170 1.00 0.00 N ATOM 1268 CA THR A 82 14.566 -0.382 1.284 1.00 0.00 C ATOM 1269 C THR A 82 13.522 0.648 1.634 1.00 0.00 C ATOM 1270 O THR A 82 13.408 1.626 0.912 1.00 0.00 O ATOM 1271 CB THR A 82 15.958 0.246 0.997 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.897 -0.780 0.625 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.516 0.939 2.270 1.00 0.00 C ATOM 0 H THR A 82 14.117 -0.739 -0.747 1.00 0.00 H new ATOM 0 HA THR A 82 14.736 -1.031 2.143 1.00 0.00 H new ATOM 0 HB THR A 82 15.833 0.970 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.771 -0.374 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.491 1.373 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.831 1.726 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.617 0.205 3.069 1.00 0.00 H new ATOM 1281 N VAL A 83 12.753 0.450 2.733 1.00 0.00 N ATOM 1282 CA VAL A 83 11.771 1.456 3.122 1.00 0.00 C ATOM 1283 C VAL A 83 12.543 2.582 3.768 1.00 0.00 C ATOM 1284 O VAL A 83 13.545 2.305 4.408 1.00 0.00 O ATOM 1285 CB VAL A 83 10.670 0.899 4.073 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.662 1.997 4.519 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.892 -0.255 3.384 1.00 0.00 C ATOM 0 H VAL A 83 12.799 -0.370 3.337 1.00 0.00 H new ATOM 0 HA VAL A 83 11.227 1.800 2.243 1.00 0.00 H new ATOM 0 HB VAL A 83 11.182 0.528 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.915 1.558 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.195 2.787 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.169 2.416 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.127 -0.633 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.420 0.117 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.583 -1.060 3.132 1.00 0.00 H new ATOM 1297 N GLN A 84 12.095 3.847 3.611 1.00 0.00 N ATOM 1298 CA GLN A 84 12.701 4.969 4.323 1.00 0.00 C ATOM 1299 C GLN A 84 11.574 5.872 4.762 1.00 0.00 C ATOM 1300 O GLN A 84 10.436 5.562 4.450 1.00 0.00 O ATOM 1301 CB GLN A 84 13.732 5.722 3.436 1.00 0.00 C ATOM 1302 CG GLN A 84 14.816 4.776 2.864 1.00 0.00 C ATOM 1303 CD GLN A 84 15.833 5.517 2.024 1.00 0.00 C ATOM 1304 OE1 GLN A 84 15.669 6.701 1.775 1.00 0.00 O ATOM 1305 NE2 GLN A 84 16.905 4.836 1.564 1.00 0.00 N ATOM 0 H GLN A 84 11.321 4.105 2.999 1.00 0.00 H new ATOM 0 HA GLN A 84 13.263 4.615 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.211 6.213 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.210 6.506 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.324 4.270 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.340 4.004 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.016 3.847 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.604 5.311 0.992 1.00 0.00 H new ATOM 1314 N MET A 85 11.876 6.970 5.485 1.00 0.00 N ATOM 1315 CA MET A 85 10.836 7.824 6.061 1.00 0.00 C ATOM 1316 C MET A 85 11.141 9.274 5.779 1.00 0.00 C ATOM 1317 O MET A 85 12.244 9.592 5.362 1.00 0.00 O ATOM 1318 CB MET A 85 10.699 7.656 7.603 1.00 0.00 C ATOM 1319 CG MET A 85 9.482 6.767 7.965 1.00 0.00 C ATOM 1320 SD MET A 85 9.077 6.941 9.730 1.00 0.00 S ATOM 1321 CE MET A 85 7.808 8.235 9.539 1.00 0.00 C ATOM 0 H MET A 85 12.829 7.279 5.679 1.00 0.00 H new ATOM 0 HA MET A 85 9.899 7.517 5.596 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.609 7.212 8.005 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.589 8.635 8.070 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.622 7.051 7.358 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.704 5.724 7.737 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.412 8.503 10.518 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.253 9.115 9.074 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.000 7.862 8.910 1.00 0.00 H new ATOM 1331 N GLU A 86 10.141 10.147 6.041 1.00 0.00 N ATOM 1332 CA GLU A 86 10.326 11.588 5.884 1.00 0.00 C ATOM 1333 C GLU A 86 9.517 12.296 6.953 1.00 0.00 C ATOM 1334 O GLU A 86 8.550 12.972 6.636 1.00 0.00 O ATOM 1335 CB GLU A 86 9.920 12.037 4.454 1.00 0.00 C ATOM 1336 CG GLU A 86 10.901 11.543 3.360 1.00 0.00 C ATOM 1337 CD GLU A 86 10.486 12.084 2.015 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.872 13.240 1.694 1.00 0.00 O ATOM 1339 OE2 GLU A 86 9.771 11.363 1.267 1.00 0.00 O ATOM 0 H GLU A 86 9.211 9.872 6.358 1.00 0.00 H new ATOM 0 HA GLU A 86 11.377 11.850 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.920 11.664 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.868 13.125 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.915 11.868 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.913 10.453 3.335 1.00 0.00 H new ATOM 1346 N GLY A 87 9.911 12.151 8.240 1.00 0.00 N ATOM 1347 CA GLY A 87 9.211 12.858 9.311 1.00 0.00 C ATOM 1348 C GLY A 87 7.882 12.190 9.573 1.00 0.00 C ATOM 1349 O GLY A 87 7.847 11.285 10.391 1.00 0.00 O ATOM 0 H GLY A 87 10.689 11.566 8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.816 12.856 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.057 13.901 9.033 1.00 0.00 H new ATOM 1353 N GLY A 88 6.795 12.612 8.882 1.00 0.00 N ATOM 1354 CA GLY A 88 5.497 11.952 9.026 1.00 0.00 C ATOM 1355 C GLY A 88 5.043 11.476 7.668 1.00 0.00 C ATOM 1356 O GLY A 88 3.874 11.612 7.343 1.00 0.00 O ATOM 0 H GLY A 88 6.801 13.397 8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.575 11.111 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.767 12.642 9.448 1.00 0.00 H new ATOM 1360 N LYS A 89 5.979 10.912 6.869 1.00 0.00 N ATOM 1361 CA LYS A 89 5.657 10.492 5.506 1.00 0.00 C ATOM 1362 C LYS A 89 6.568 9.334 5.162 1.00 0.00 C ATOM 1363 O LYS A 89 7.607 9.244 5.794 1.00 0.00 O ATOM 1364 CB LYS A 89 5.722 11.765 4.615 1.00 0.00 C ATOM 1365 CG LYS A 89 5.416 11.526 3.111 1.00 0.00 C ATOM 1366 CD LYS A 89 6.658 11.087 2.288 1.00 0.00 C ATOM 1367 CE LYS A 89 6.260 10.580 0.875 1.00 0.00 C ATOM 1368 NZ LYS A 89 5.576 11.601 0.047 1.00 0.00 N ATOM 0 H LYS A 89 6.945 10.744 7.149 1.00 0.00 H new ATOM 0 HA LYS A 89 4.653 10.096 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.015 12.499 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.716 12.203 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.643 10.763 3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.010 12.442 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.347 11.926 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.188 10.298 2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.156 10.243 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.607 9.713 0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.340 11.194 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.703 11.907 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.204 12.420 -0.084 1.00 0.00 H new ATOM 1382 N LEU A 90 6.197 8.423 4.230 1.00 0.00 N ATOM 1383 CA LEU A 90 6.914 7.155 4.092 1.00 0.00 C ATOM 1384 C LEU A 90 7.382 6.914 2.678 1.00 0.00 C ATOM 1385 O LEU A 90 6.757 7.441 1.772 1.00 0.00 O ATOM 1386 CB LEU A 90 5.937 6.051 4.536 1.00 0.00 C ATOM 1387 CG LEU A 90 6.569 4.655 4.760 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.518 4.661 5.988 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.443 3.633 5.020 1.00 0.00 C ATOM 0 H LEU A 90 5.421 8.548 3.580 1.00 0.00 H new ATOM 0 HA LEU A 90 7.815 7.166 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.456 6.366 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.153 5.960 3.784 1.00 0.00 H new ATOM 0 HG LEU A 90 7.143 4.390 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.947 3.668 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.318 5.383 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.956 4.936 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.877 2.646 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.880 3.929 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.775 3.601 4.159 1.00 0.00 H new ATOM 1401 N VAL A 91 8.472 6.128 2.489 1.00 0.00 N ATOM 1402 CA VAL A 91 9.050 5.940 1.162 1.00 0.00 C ATOM 1403 C VAL A 91 9.462 4.502 0.960 1.00 0.00 C ATOM 1404 O VAL A 91 9.920 3.919 1.925 1.00 0.00 O ATOM 1405 CB VAL A 91 10.318 6.831 1.065 1.00 0.00 C ATOM 1406 CG1 VAL A 91 10.966 6.770 -0.344 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.030 8.299 1.479 1.00 0.00 C ATOM 0 H VAL A 91 8.953 5.627 3.236 1.00 0.00 H new ATOM 0 HA VAL A 91 8.313 6.206 0.404 1.00 0.00 H new ATOM 0 HB VAL A 91 11.036 6.422 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.849 7.408 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.254 5.743 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.250 7.116 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.944 8.886 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.268 8.719 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.675 8.324 2.509 1.00 0.00 H new ATOM 1417 N VAL A 92 9.348 3.922 -0.258 1.00 0.00 N ATOM 1418 CA VAL A 92 9.905 2.596 -0.509 1.00 0.00 C ATOM 1419 C VAL A 92 10.194 2.417 -1.983 1.00 0.00 C ATOM 1420 O VAL A 92 9.608 3.119 -2.791 1.00 0.00 O ATOM 1421 CB VAL A 92 8.949 1.496 0.032 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.586 1.531 -0.690 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.530 0.059 -0.085 1.00 0.00 C ATOM 0 H VAL A 92 8.884 4.350 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 92 10.851 2.499 0.025 1.00 0.00 H new ATOM 0 HB VAL A 92 8.824 1.726 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.941 0.749 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.117 2.503 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.735 1.365 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.811 -0.658 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.730 -0.168 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.457 -0.006 0.484 1.00 0.00 H new ATOM 1433 N ASN A 93 11.104 1.478 -2.328 1.00 0.00 N ATOM 1434 CA ASN A 93 11.455 1.229 -3.721 1.00 0.00 C ATOM 1435 C ASN A 93 11.809 -0.239 -3.853 1.00 0.00 C ATOM 1436 O ASN A 93 12.731 -0.660 -3.170 1.00 0.00 O ATOM 1437 CB ASN A 93 12.630 2.147 -4.138 1.00 0.00 C ATOM 1438 CG ASN A 93 13.802 2.008 -3.194 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.744 1.304 -3.522 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.772 2.662 -2.010 1.00 0.00 N ATOM 0 H ASN A 93 11.599 0.890 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 93 10.621 1.456 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.946 1.898 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.295 3.184 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.553 2.575 -1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.969 3.242 -1.768 1.00 0.00 H new ATOM 1447 N PHE A 94 11.085 -1.016 -4.698 1.00 0.00 N ATOM 1448 CA PHE A 94 11.329 -2.455 -4.828 1.00 0.00 C ATOM 1449 C PHE A 94 11.997 -2.660 -6.170 1.00 0.00 C ATOM 1450 O PHE A 94 11.794 -1.793 -7.005 1.00 0.00 O ATOM 1451 CB PHE A 94 9.979 -3.241 -4.886 1.00 0.00 C ATOM 1452 CG PHE A 94 8.966 -2.835 -3.807 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.139 -1.715 -3.966 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.844 -3.600 -2.643 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.283 -1.310 -2.939 1.00 0.00 C ATOM 1456 CE2 PHE A 94 8.064 -3.138 -1.583 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.284 -1.992 -1.721 1.00 0.00 C ATOM 0 H PHE A 94 10.334 -0.663 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 94 11.924 -2.803 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.527 -3.092 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.188 -4.306 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.164 -1.159 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.354 -4.549 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.621 -0.470 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.065 -3.674 -0.646 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.687 -1.635 -0.895 1.00 0.00 H new ATOM 1467 N PRO A 95 12.755 -3.746 -6.469 1.00 0.00 N ATOM 1468 CA PRO A 95 13.191 -3.968 -7.843 1.00 0.00 C ATOM 1469 C PRO A 95 11.981 -4.403 -8.645 1.00 0.00 C ATOM 1470 O PRO A 95 11.876 -5.572 -8.981 1.00 0.00 O ATOM 1471 CB PRO A 95 14.236 -5.088 -7.604 1.00 0.00 C ATOM 1472 CG PRO A 95 13.678 -5.853 -6.382 1.00 0.00 C ATOM 1473 CD PRO A 95 13.162 -4.720 -5.465 1.00 0.00 C ATOM 0 HA PRO A 95 13.606 -3.127 -8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.333 -5.738 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.225 -4.677 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.879 -6.538 -6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.449 -6.448 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.332 -5.040 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.937 -4.336 -4.802 1.00 0.00 H new ATOM 1481 N ASN A 96 11.057 -3.459 -8.948 1.00 0.00 N ATOM 1482 CA ASN A 96 9.796 -3.800 -9.614 1.00 0.00 C ATOM 1483 C ASN A 96 8.922 -2.566 -9.766 1.00 0.00 C ATOM 1484 O ASN A 96 8.449 -2.320 -10.863 1.00 0.00 O ATOM 1485 CB ASN A 96 8.975 -4.867 -8.837 1.00 0.00 C ATOM 1486 CG ASN A 96 7.603 -5.028 -9.449 1.00 0.00 C ATOM 1487 OD1 ASN A 96 6.628 -4.633 -8.831 1.00 0.00 O ATOM 1488 ND2 ASN A 96 7.495 -5.598 -10.669 1.00 0.00 N ATOM 0 H ASN A 96 11.168 -2.467 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 96 10.073 -4.208 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.501 -5.822 -8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.881 -4.572 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.578 -5.709 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.331 -5.917 -11.158 1.00 0.00 H new ATOM 1495 N TYR A 97 8.697 -1.792 -8.676 1.00 0.00 N ATOM 1496 CA TYR A 97 7.879 -0.579 -8.729 1.00 0.00 C ATOM 1497 C TYR A 97 8.352 0.361 -7.635 1.00 0.00 C ATOM 1498 O TYR A 97 9.274 -0.010 -6.926 1.00 0.00 O ATOM 1499 CB TYR A 97 6.373 -0.941 -8.603 1.00 0.00 C ATOM 1500 CG TYR A 97 5.835 -1.171 -7.182 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.179 -2.329 -6.482 1.00 0.00 C ATOM 1502 CD2 TYR A 97 4.961 -0.261 -6.572 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.548 -2.627 -5.273 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.260 -0.602 -5.411 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.582 -1.780 -4.730 1.00 0.00 C ATOM 1506 OH TYR A 97 3.963 -2.124 -3.524 1.00 0.00 O ATOM 0 H TYR A 97 9.077 -1.997 -7.752 1.00 0.00 H new ATOM 0 HA TYR A 97 7.992 -0.073 -9.688 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.791 -0.141 -9.062 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.190 -1.843 -9.186 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.933 -2.994 -6.876 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.827 0.719 -7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.813 -3.532 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.474 0.041 -5.042 1.00 0.00 H new ATOM 0 HH TYR A 97 3.315 -1.430 -3.279 1.00 0.00 H new ATOM 1516 N HIS A 98 7.750 1.562 -7.478 1.00 0.00 N ATOM 1517 CA HIS A 98 8.123 2.483 -6.401 1.00 0.00 C ATOM 1518 C HIS A 98 6.860 2.959 -5.738 1.00 0.00 C ATOM 1519 O HIS A 98 5.832 2.962 -6.395 1.00 0.00 O ATOM 1520 CB HIS A 98 8.926 3.688 -6.952 1.00 0.00 C ATOM 1521 CG HIS A 98 8.955 4.917 -6.065 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.939 5.705 -5.781 1.00 0.00 N ATOM 1523 CD2 HIS A 98 10.054 5.393 -5.451 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.332 6.688 -5.036 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.553 6.566 -4.795 1.00 0.00 N ATOM 0 H HIS A 98 7.007 1.907 -8.086 1.00 0.00 H new ATOM 0 HA HIS A 98 8.760 1.968 -5.682 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.952 3.367 -7.131 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.507 3.969 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.057 4.994 -5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.703 7.489 -4.678 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.107 7.202 -4.221 1.00 0.00 H new ATOM 1533 N GLN A 99 6.913 3.361 -4.447 1.00 0.00 N ATOM 1534 CA GLN A 99 5.681 3.716 -3.752 1.00 0.00 C ATOM 1535 C GLN A 99 6.002 4.568 -2.550 1.00 0.00 C ATOM 1536 O GLN A 99 7.100 4.445 -2.032 1.00 0.00 O ATOM 1537 CB GLN A 99 4.960 2.373 -3.449 1.00 0.00 C ATOM 1538 CG GLN A 99 3.700 2.442 -2.547 1.00 0.00 C ATOM 1539 CD GLN A 99 4.054 2.246 -1.091 1.00 0.00 C ATOM 1540 OE1 GLN A 99 4.476 1.154 -0.744 1.00 0.00 O ATOM 1541 NE2 GLN A 99 3.897 3.254 -0.210 1.00 0.00 N ATOM 0 H GLN A 99 7.766 3.442 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 99 5.004 4.335 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.674 1.920 -4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.678 1.701 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.210 3.407 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.987 1.678 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.543 4.157 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.133 3.114 0.772 1.00 0.00 H new ATOM 1550 N THR A 100 5.073 5.457 -2.130 1.00 0.00 N ATOM 1551 CA THR A 100 5.374 6.421 -1.076 1.00 0.00 C ATOM 1552 C THR A 100 4.084 6.656 -0.319 1.00 0.00 C ATOM 1553 O THR A 100 3.190 7.238 -0.912 1.00 0.00 O ATOM 1554 CB THR A 100 5.865 7.742 -1.746 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.217 7.974 -3.006 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.404 7.811 -1.925 1.00 0.00 C ATOM 0 H THR A 100 4.126 5.518 -2.505 1.00 0.00 H new ATOM 0 HA THR A 100 6.149 6.065 -0.397 1.00 0.00 H new ATOM 0 HB THR A 100 5.586 8.533 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.548 8.810 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.673 8.756 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.887 7.741 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.735 6.984 -2.554 1.00 0.00 H new ATOM 1564 N SER A 101 3.946 6.206 0.954 1.00 0.00 N ATOM 1565 CA SER A 101 2.680 6.397 1.663 1.00 0.00 C ATOM 1566 C SER A 101 2.737 7.715 2.397 1.00 0.00 C ATOM 1567 O SER A 101 3.827 8.246 2.535 1.00 0.00 O ATOM 1568 CB SER A 101 2.326 5.236 2.625 1.00 0.00 C ATOM 1569 OG SER A 101 2.378 3.992 1.907 1.00 0.00 O ATOM 0 H SER A 101 4.673 5.727 1.485 1.00 0.00 H new ATOM 0 HA SER A 101 1.879 6.405 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.024 5.216 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.331 5.386 3.044 1.00 0.00 H new ATOM 0 HG SER A 101 2.156 3.255 2.513 1.00 0.00 H new ATOM 1575 N GLU A 102 1.589 8.257 2.868 1.00 0.00 N ATOM 1576 CA GLU A 102 1.610 9.550 3.550 1.00 0.00 C ATOM 1577 C GLU A 102 0.426 9.658 4.488 1.00 0.00 C ATOM 1578 O GLU A 102 -0.671 9.366 4.042 1.00 0.00 O ATOM 1579 CB GLU A 102 1.596 10.682 2.490 1.00 0.00 C ATOM 1580 CG GLU A 102 1.594 12.088 3.145 1.00 0.00 C ATOM 1581 CD GLU A 102 1.600 13.147 2.073 1.00 0.00 C ATOM 1582 OE1 GLU A 102 2.705 13.464 1.556 1.00 0.00 O ATOM 1583 OE2 GLU A 102 0.500 13.667 1.738 1.00 0.00 O ATOM 0 H GLU A 102 0.668 7.826 2.787 1.00 0.00 H new ATOM 0 HA GLU A 102 2.517 9.644 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.468 10.584 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.715 10.575 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.715 12.203 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.467 12.202 3.787 1.00 0.00 H new ATOM 1590 N ILE A 103 0.620 10.072 5.767 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.509 10.279 6.678 1.00 0.00 C ATOM 1592 C ILE A 103 -0.908 11.732 6.599 1.00 0.00 C ATOM 1593 O ILE A 103 -0.035 12.556 6.378 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.160 9.848 8.136 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.159 8.302 8.267 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -1.051 10.518 9.219 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.552 7.666 8.507 1.00 0.00 C ATOM 0 H ILE A 103 1.535 10.263 6.175 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.348 9.652 6.378 1.00 0.00 H new ATOM 0 HB ILE A 103 0.848 10.214 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.267 7.875 7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.499 8.022 9.090 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.748 10.169 10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.936 11.601 9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.094 10.255 9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.449 6.584 8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.976 8.058 9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.211 7.909 7.674 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.215 12.052 6.770 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.675 13.435 6.656 1.00 0.00 C ATOM 1611 C VAL A 104 -3.653 13.683 7.789 1.00 0.00 C ATOM 1612 O VAL A 104 -4.852 13.726 7.560 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.272 13.677 5.236 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.653 15.170 5.031 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.288 13.223 4.120 1.00 0.00 C ATOM 0 H VAL A 104 -2.948 11.376 6.983 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.860 14.152 6.754 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.177 13.074 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.066 15.306 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.396 15.461 5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.764 15.791 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.736 13.406 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.358 13.786 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.079 12.159 4.230 1.00 0.00 H new ATOM 1625 N GLY A 105 -3.143 13.846 9.033 1.00 0.00 N ATOM 1626 CA GLY A 105 -4.014 14.132 10.170 1.00 0.00 C ATOM 1627 C GLY A 105 -4.753 12.882 10.586 1.00 0.00 C ATOM 1628 O GLY A 105 -4.285 12.191 11.478 1.00 0.00 O ATOM 0 H GLY A 105 -2.151 13.784 9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.423 14.509 11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.726 14.913 9.905 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.904 12.585 9.940 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.697 11.407 10.293 1.00 0.00 C ATOM 1634 C ASP A 106 -7.088 10.745 8.994 1.00 0.00 C ATOM 1635 O ASP A 106 -8.262 10.626 8.683 1.00 0.00 O ATOM 1636 CB ASP A 106 -7.917 11.843 11.140 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.430 12.481 12.415 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -7.189 13.719 12.410 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -7.279 11.749 13.431 1.00 0.00 O ATOM 0 H ASP A 106 -6.293 13.144 9.181 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.142 10.694 10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.532 12.546 10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.545 10.981 11.367 1.00 0.00 H new ATOM 1644 N LYS A 107 -6.061 10.329 8.221 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.302 9.774 6.892 1.00 0.00 C ATOM 1646 C LYS A 107 -5.006 9.160 6.417 1.00 0.00 C ATOM 1647 O LYS A 107 -3.975 9.747 6.703 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.672 10.950 5.948 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.017 10.522 4.494 1.00 0.00 C ATOM 1650 CD LYS A 107 -6.855 11.689 3.477 1.00 0.00 C ATOM 1651 CE LYS A 107 -7.655 12.964 3.860 1.00 0.00 C ATOM 1652 NZ LYS A 107 -7.601 13.974 2.778 1.00 0.00 N ATOM 0 H LYS A 107 -5.080 10.370 8.496 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.099 9.031 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.524 11.483 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.839 11.653 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.372 9.695 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.042 10.154 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.798 11.944 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.178 11.350 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.693 12.699 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.250 13.389 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.144 14.815 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.612 14.243 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.010 13.574 1.909 1.00 0.00 H new ATOM 1666 N LEU A 108 -5.034 8.014 5.704 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.814 7.438 5.145 1.00 0.00 C ATOM 1668 C LEU A 108 -3.973 7.519 3.649 1.00 0.00 C ATOM 1669 O LEU A 108 -5.064 7.221 3.191 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.660 5.967 5.620 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.626 5.132 4.812 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.172 5.555 5.151 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.821 3.622 5.114 1.00 0.00 C ATOM 0 H LEU A 108 -5.882 7.482 5.509 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.919 7.969 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.367 5.967 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.631 5.476 5.560 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.793 5.318 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.473 4.953 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.033 6.608 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.987 5.401 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.095 3.041 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.676 3.442 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.829 3.321 4.829 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.926 7.903 2.881 1.00 0.00 N ATOM 1686 CA VAL A 109 -3.042 7.898 1.425 1.00 0.00 C ATOM 1687 C VAL A 109 -1.817 7.244 0.842 1.00 0.00 C ATOM 1688 O VAL A 109 -0.871 7.016 1.580 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.308 9.322 0.852 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.370 10.075 1.698 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.016 10.169 0.757 1.00 0.00 C ATOM 0 H VAL A 109 -2.023 8.209 3.242 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.915 7.314 1.133 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.690 9.182 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.536 11.066 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.305 9.516 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.015 10.173 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.255 11.152 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.581 10.281 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.301 9.670 0.102 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.831 6.933 -0.474 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.701 6.230 -1.069 1.00 0.00 C ATOM 1703 C GLU A 110 -0.597 6.543 -2.540 1.00 0.00 C ATOM 1704 O GLU A 110 -1.624 6.838 -3.129 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.881 4.718 -0.775 1.00 0.00 C ATOM 1706 CG GLU A 110 0.161 3.819 -1.491 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.084 3.674 -2.976 1.00 0.00 C ATOM 1708 OE1 GLU A 110 -1.235 3.900 -3.440 1.00 0.00 O ATOM 1709 OE2 GLU A 110 0.877 3.319 -3.705 1.00 0.00 O ATOM 0 H GLU A 110 -2.592 7.154 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 110 0.244 6.558 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.812 4.555 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.882 4.414 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.156 4.235 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.153 2.831 -1.032 1.00 0.00 H new ATOM 1716 N VAL A 111 0.623 6.490 -3.132 1.00 0.00 N ATOM 1717 CA VAL A 111 0.793 6.820 -4.545 1.00 0.00 C ATOM 1718 C VAL A 111 1.852 5.883 -5.113 1.00 0.00 C ATOM 1719 O VAL A 111 3.024 6.073 -4.831 1.00 0.00 O ATOM 1720 CB VAL A 111 1.047 8.353 -4.673 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.272 8.874 -3.881 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.190 8.753 -6.161 1.00 0.00 C ATOM 0 H VAL A 111 1.482 6.225 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.093 6.650 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 111 0.172 8.825 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.371 9.949 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.135 8.665 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.174 8.375 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.367 9.826 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.029 8.216 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.275 8.499 -6.696 1.00 0.00 H new ATOM 1732 N SER A 112 1.462 4.840 -5.891 1.00 0.00 N ATOM 1733 CA SER A 112 2.429 3.864 -6.415 1.00 0.00 C ATOM 1734 C SER A 112 3.154 4.458 -7.600 1.00 0.00 C ATOM 1735 O SER A 112 2.842 5.581 -7.953 1.00 0.00 O ATOM 1736 CB SER A 112 1.707 2.588 -6.920 1.00 0.00 C ATOM 1737 OG SER A 112 1.239 2.860 -8.251 1.00 0.00 O ATOM 0 H SER A 112 0.495 4.662 -6.162 1.00 0.00 H new ATOM 0 HA SER A 112 3.118 3.613 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.387 1.736 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.874 2.333 -6.265 1.00 0.00 H new ATOM 0 HG SER A 112 1.626 2.209 -8.873 1.00 0.00 H new ATOM 1743 N THR A 113 4.087 3.722 -8.248 1.00 0.00 N ATOM 1744 CA THR A 113 4.773 4.249 -9.428 1.00 0.00 C ATOM 1745 C THR A 113 5.547 3.149 -10.108 1.00 0.00 C ATOM 1746 O THR A 113 5.893 2.218 -9.404 1.00 0.00 O ATOM 1747 CB THR A 113 5.785 5.325 -8.956 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.135 6.510 -8.469 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.853 5.700 -10.010 1.00 0.00 C ATOM 0 H THR A 113 4.371 2.782 -7.973 1.00 0.00 H new ATOM 0 HA THR A 113 4.041 4.665 -10.120 1.00 0.00 H new ATOM 0 HB THR A 113 6.314 4.849 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.164 6.410 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.520 6.458 -9.599 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.430 4.814 -10.274 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.363 6.093 -10.901 1.00 0.00 H new ATOM 1757 N ILE A 114 5.849 3.221 -11.427 1.00 0.00 N ATOM 1758 CA ILE A 114 6.667 2.175 -12.045 1.00 0.00 C ATOM 1759 C ILE A 114 7.399 2.651 -13.287 1.00 0.00 C ATOM 1760 O ILE A 114 8.605 2.466 -13.347 1.00 0.00 O ATOM 1761 CB ILE A 114 5.836 0.877 -12.272 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.757 -0.274 -12.759 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.614 1.085 -13.207 1.00 0.00 C ATOM 1764 CD1 ILE A 114 6.038 -1.645 -12.760 1.00 0.00 C ATOM 0 H ILE A 114 5.547 3.966 -12.055 1.00 0.00 H new ATOM 0 HA ILE A 114 7.460 1.922 -11.341 1.00 0.00 H new ATOM 0 HB ILE A 114 5.411 0.595 -11.309 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.111 -0.052 -13.766 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.636 -0.328 -12.117 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.079 0.142 -13.322 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.947 1.830 -12.773 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.957 1.429 -14.183 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.725 -2.416 -13.109 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.708 -1.883 -11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.174 -1.602 -13.423 1.00 0.00 H new ATOM 1776 N GLY A 115 6.719 3.265 -14.284 1.00 0.00 N ATOM 1777 CA GLY A 115 7.404 3.759 -15.479 1.00 0.00 C ATOM 1778 C GLY A 115 6.777 5.079 -15.860 1.00 0.00 C ATOM 1779 O GLY A 115 7.356 6.112 -15.561 1.00 0.00 O ATOM 0 H GLY A 115 5.711 3.424 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.469 3.884 -15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.312 3.043 -16.295 1.00 0.00 H new ATOM 1783 N GLY A 116 5.579 5.051 -16.492 1.00 0.00 N ATOM 1784 CA GLY A 116 4.842 6.281 -16.776 1.00 0.00 C ATOM 1785 C GLY A 116 3.427 6.158 -16.260 1.00 0.00 C ATOM 1786 O GLY A 116 2.531 6.704 -16.885 1.00 0.00 O ATOM 0 H GLY A 116 5.117 4.197 -16.806 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.338 7.130 -16.306 1.00 0.00 H new ATOM 0 HA3 GLY A 116 4.833 6.471 -17.849 1.00 0.00 H new ATOM 1790 N VAL A 117 3.218 5.449 -15.123 1.00 0.00 N ATOM 1791 CA VAL A 117 1.872 5.232 -14.591 1.00 0.00 C ATOM 1792 C VAL A 117 1.957 5.245 -13.079 1.00 0.00 C ATOM 1793 O VAL A 117 3.011 4.918 -12.557 1.00 0.00 O ATOM 1794 CB VAL A 117 1.293 3.884 -15.111 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -0.143 3.622 -14.580 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.280 3.853 -16.666 1.00 0.00 C ATOM 0 H VAL A 117 3.963 5.026 -14.570 1.00 0.00 H new ATOM 0 HA VAL A 117 1.200 6.022 -14.926 1.00 0.00 H new ATOM 0 HB VAL A 117 1.945 3.096 -14.734 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.507 2.671 -14.968 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.127 3.587 -13.491 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.804 4.424 -14.908 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.872 2.902 -17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.662 4.669 -17.041 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.297 3.966 -17.041 1.00 0.00 H new ATOM 1806 N THR A 118 0.870 5.638 -12.376 1.00 0.00 N ATOM 1807 CA THR A 118 0.906 5.808 -10.922 1.00 0.00 C ATOM 1808 C THR A 118 -0.369 5.215 -10.358 1.00 0.00 C ATOM 1809 O THR A 118 -1.231 4.884 -11.154 1.00 0.00 O ATOM 1810 CB THR A 118 1.017 7.350 -10.713 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.349 7.803 -11.017 1.00 0.00 O ATOM 1812 CG2 THR A 118 0.682 7.813 -9.281 1.00 0.00 C ATOM 0 H THR A 118 -0.036 5.841 -12.799 1.00 0.00 H new ATOM 0 HA THR A 118 1.732 5.308 -10.416 1.00 0.00 H new ATOM 0 HB THR A 118 0.279 7.782 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.403 8.772 -10.883 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.782 8.896 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.341 7.528 -9.036 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.368 7.342 -8.577 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.529 5.069 -9.020 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.827 4.684 -8.445 1.00 0.00 C ATOM 1822 C TYR A 119 -2.111 5.531 -7.215 1.00 0.00 C ATOM 1823 O TYR A 119 -1.802 5.083 -6.122 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.782 3.178 -8.071 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.942 2.577 -7.269 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.140 3.261 -7.045 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.793 1.294 -6.727 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -5.110 2.731 -6.192 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.781 0.746 -5.903 1.00 0.00 C ATOM 1830 CZ TYR A 119 -4.957 1.458 -5.642 1.00 0.00 C ATOM 1831 OH TYR A 119 -5.967 0.929 -4.836 1.00 0.00 O ATOM 0 H TYR A 119 0.214 5.210 -8.335 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.624 4.850 -9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.694 2.611 -8.998 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.867 3.007 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.317 4.207 -7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.905 0.721 -6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.988 3.313 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -3.636 -0.231 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 119 -5.708 0.034 -4.532 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.712 6.741 -7.338 1.00 0.00 N ATOM 1842 CA GLU A 120 -3.034 7.521 -6.137 1.00 0.00 C ATOM 1843 C GLU A 120 -4.176 6.855 -5.402 1.00 0.00 C ATOM 1844 O GLU A 120 -4.969 6.205 -6.066 1.00 0.00 O ATOM 1845 CB GLU A 120 -3.403 8.999 -6.409 1.00 0.00 C ATOM 1846 CG GLU A 120 -2.258 9.833 -7.037 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.777 11.182 -7.470 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -3.208 11.965 -6.582 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -2.761 11.471 -8.698 1.00 0.00 O ATOM 0 H GLU A 120 -2.971 7.177 -8.223 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.123 7.541 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.267 9.030 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.705 9.465 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.451 9.960 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.839 9.304 -7.893 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.288 6.986 -4.055 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.298 6.204 -3.330 1.00 0.00 C ATOM 1858 C ARG A 121 -5.519 6.794 -1.958 1.00 0.00 C ATOM 1859 O ARG A 121 -4.580 7.405 -1.477 1.00 0.00 O ATOM 1860 CB ARG A 121 -4.775 4.743 -3.257 1.00 0.00 C ATOM 1861 CG ARG A 121 -5.695 3.748 -2.489 1.00 0.00 C ATOM 1862 CD ARG A 121 -5.247 3.581 -1.007 1.00 0.00 C ATOM 1863 NE ARG A 121 -4.022 2.775 -0.905 1.00 0.00 N ATOM 1864 CZ ARG A 121 -3.342 2.602 0.211 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -3.687 3.153 1.350 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -2.268 1.845 0.188 1.00 0.00 N ATOM 0 H ARG A 121 -3.714 7.600 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.262 6.223 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.634 4.373 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.795 4.748 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.724 4.105 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.678 2.778 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.077 4.562 -0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.045 3.107 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.676 2.321 -1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.515 3.746 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.127 2.988 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.974 1.403 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.729 1.699 1.041 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.712 6.646 -1.326 1.00 0.00 N ATOM 1881 CA VAL A 122 -6.982 7.310 -0.051 1.00 0.00 C ATOM 1882 C VAL A 122 -7.632 6.341 0.920 1.00 0.00 C ATOM 1883 O VAL A 122 -8.833 6.140 0.842 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.795 8.621 -0.294 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -6.972 9.623 -1.153 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -9.175 8.412 -0.984 1.00 0.00 C ATOM 0 H VAL A 122 -7.482 6.080 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.050 7.618 0.422 1.00 0.00 H new ATOM 0 HB VAL A 122 -7.989 9.013 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -7.555 10.530 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -6.046 9.872 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.737 9.169 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -9.668 9.376 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.028 7.948 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -9.797 7.766 -0.365 1.00 0.00 H new ATOM 1896 N SER A 123 -6.867 5.725 1.856 1.00 0.00 N ATOM 1897 CA SER A 123 -7.492 4.911 2.895 1.00 0.00 C ATOM 1898 C SER A 123 -7.848 5.845 4.033 1.00 0.00 C ATOM 1899 O SER A 123 -6.976 6.181 4.815 1.00 0.00 O ATOM 1900 CB SER A 123 -6.551 3.772 3.366 1.00 0.00 C ATOM 1901 OG SER A 123 -6.144 2.917 2.287 1.00 0.00 O ATOM 0 H SER A 123 -5.850 5.781 1.903 1.00 0.00 H new ATOM 0 HA SER A 123 -8.386 4.420 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.668 4.205 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.057 3.177 4.126 1.00 0.00 H new ATOM 0 HG SER A 123 -5.686 2.130 2.648 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.121 6.287 4.150 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.520 7.170 5.250 1.00 0.00 C ATOM 1909 C LYS A 124 -9.263 6.502 6.578 1.00 0.00 C ATOM 1910 O LYS A 124 -8.958 5.324 6.567 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.026 7.571 5.158 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.245 8.965 4.525 1.00 0.00 C ATOM 1913 CD LYS A 124 -10.759 9.125 3.060 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.078 10.575 2.601 1.00 0.00 C ATOM 1915 NZ LYS A 124 -10.711 10.836 1.193 1.00 0.00 N ATOM 0 H LYS A 124 -9.873 6.047 3.504 1.00 0.00 H new ATOM 0 HA LYS A 124 -8.920 8.076 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.560 6.824 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.460 7.560 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.309 9.197 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.735 9.707 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.689 8.931 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.257 8.403 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -12.143 10.764 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.547 11.277 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.949 11.819 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.690 10.685 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -11.236 10.188 0.572 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.401 7.233 7.712 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.101 6.686 9.039 1.00 0.00 C ATOM 1931 C ARG A 125 -10.443 6.481 9.704 1.00 0.00 C ATOM 1932 O ARG A 125 -10.986 7.422 10.261 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.173 7.642 9.838 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.491 6.987 11.078 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.466 6.454 12.166 1.00 0.00 C ATOM 1936 NE ARG A 125 -9.292 7.507 12.761 1.00 0.00 N ATOM 1937 CZ ARG A 125 -10.244 7.275 13.640 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -10.533 6.071 14.080 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -10.937 8.291 14.104 1.00 0.00 N ATOM 0 H ARG A 125 -9.719 8.202 7.723 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.554 5.744 8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.399 8.020 9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -8.756 8.501 10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.868 6.161 10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.826 7.719 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -9.115 5.697 11.725 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.892 5.963 12.952 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.120 8.472 12.479 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.010 5.264 13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -11.281 5.943 14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -10.733 9.237 13.782 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -11.679 8.133 14.786 1.00 0.00 H new ATOM 1953 N LEU A 126 -10.991 5.249 9.629 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.358 4.985 10.062 1.00 0.00 C ATOM 1955 C LEU A 126 -12.522 3.484 10.152 1.00 0.00 C ATOM 1956 O LEU A 126 -11.508 2.813 10.269 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.364 5.703 9.112 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.558 5.046 7.710 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.391 6.004 6.819 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.208 4.730 7.025 1.00 0.00 C ATOM 0 H LEU A 126 -10.499 4.430 9.271 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.572 5.394 11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.333 5.750 9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.029 6.730 8.968 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.080 4.099 7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.533 5.555 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.362 6.179 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -13.864 6.952 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.392 4.274 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.643 5.652 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.637 4.041 7.647 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.750 2.930 10.098 1.00 0.00 N ATOM 1973 CA ALA A 127 -13.903 1.485 10.236 1.00 0.00 C ATOM 1974 C ALA A 127 -15.248 1.029 9.734 1.00 0.00 C ATOM 1975 O ALA A 127 -16.012 1.818 9.202 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.739 1.107 11.730 1.00 0.00 C ATOM 0 H ALA A 127 -14.618 3.449 9.964 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.140 0.989 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.851 0.029 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.750 1.409 12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.500 1.617 12.320 1.00 0.00 H new TER 1982 ALA A 127