USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1063 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 107 SER OG : rot 151:sc= 0.225 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 X(o=0.22,f=0.22) USER MOD Set 2.1: A 39 THR OG1 : rot -161:sc= 1.34 USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0.108 USER MOD Set 3.1: A 8 GLN : amide:sc= -4.92! C(o=-5.7!,f=-4.9!) USER MOD Set 3.2: A 124 TYR OH : rot 180:sc= -0.79 USER MOD Set 4.1: A 1 HIS : no HD1:sc= -0.303 X(o=-2,f=-1.9) USER MOD Set 4.2: A 123 LYS NZ :NH3+ 156:sc= -1.7! (180deg=-2.18) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.46! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -100:sc= -3.06! (180deg=-6.62!) USER MOD Single : A 22 THR OG1 : rot -45:sc= 0.593 USER MOD Single : A 25 THR OG1 : rot -147:sc= -8.95! USER MOD Single : A 28 THR OG1 : rot 47:sc= -4.92! USER MOD Single : A 30 THR OG1 : rot -150:sc= -2.58! USER MOD Single : A 36 SER OG : rot 91:sc= -1.28! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -36:sc= -0.841! USER MOD Single : A 54 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0079) USER MOD Single : A 56 TYR OH : rot -47:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -2.24 X(o=-2.2,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -120:sc= -3.98! USER MOD Single : A 71 GLN : amide:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.76! C(o=-1.8!,f=-6.5!) USER MOD Single : A 74 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.44) USER MOD Single : A 76 HIS : no HD1:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -3.99! C(o=-4!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -9.86! C(o=-9.9!,f=-9.9!) USER MOD Single : A 97 ASN : amide:sc= 0.361 X(o=0.36,f=-0.014) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.67 K(o=-2.7,f=-2) USER MOD Single : A 106 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00474 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 78:sc= 0.563 USER MOD Single : A 120 MET CE :methyl -128:sc= -6.51! (180deg=-12.1!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= -0.0893 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 10.634 -1.635 -24.753 1.00 0.00 N ATOM 2 CA HIS A 1 11.870 -2.461 -24.866 1.00 0.00 C ATOM 3 C HIS A 1 12.730 -1.938 -26.018 1.00 0.00 C ATOM 4 O HIS A 1 13.185 -2.689 -26.857 1.00 0.00 O ATOM 5 CB HIS A 1 11.486 -3.917 -25.135 1.00 0.00 C ATOM 6 CG HIS A 1 12.616 -4.818 -24.718 1.00 0.00 C ATOM 7 ND1 HIS A 1 12.749 -6.110 -25.203 1.00 0.00 N ATOM 8 CD2 HIS A 1 13.671 -4.630 -23.860 1.00 0.00 C ATOM 9 CE1 HIS A 1 13.847 -6.644 -24.640 1.00 0.00 C ATOM 10 NE2 HIS A 1 14.448 -5.783 -23.812 1.00 0.00 N ATOM 0 H1 HIS A 1 10.049 -1.990 -23.970 1.00 0.00 H new ATOM 0 H2 HIS A 1 10.894 -0.645 -24.569 1.00 0.00 H new ATOM 0 H3 HIS A 1 10.096 -1.693 -25.641 1.00 0.00 H new ATOM 0 HA HIS A 1 12.435 -2.400 -23.936 1.00 0.00 H new ATOM 0 HB2 HIS A 1 10.580 -4.173 -24.585 1.00 0.00 H new ATOM 0 HB3 HIS A 1 11.267 -4.057 -26.193 1.00 0.00 H new ATOM 0 HD2 HIS A 1 13.868 -3.724 -23.306 1.00 0.00 H new ATOM 0 HE1 HIS A 1 14.200 -7.646 -24.833 1.00 0.00 H new ATOM 0 HE2 HIS A 1 15.294 -5.938 -23.263 1.00 0.00 H new ATOM 20 N LYS A 2 12.956 -0.653 -26.066 1.00 0.00 N ATOM 21 CA LYS A 2 13.785 -0.082 -27.165 1.00 0.00 C ATOM 22 C LYS A 2 14.316 1.289 -26.742 1.00 0.00 C ATOM 23 O LYS A 2 13.690 1.999 -25.980 1.00 0.00 O ATOM 24 CB LYS A 2 12.930 0.069 -28.424 1.00 0.00 C ATOM 25 CG LYS A 2 12.885 -1.264 -29.173 1.00 0.00 C ATOM 26 CD LYS A 2 12.457 -1.020 -30.622 1.00 0.00 C ATOM 27 CE LYS A 2 13.638 -1.297 -31.556 1.00 0.00 C ATOM 28 NZ LYS A 2 13.437 -0.567 -32.839 1.00 0.00 N ATOM 0 H LYS A 2 12.602 0.026 -25.392 1.00 0.00 H new ATOM 0 HA LYS A 2 14.622 -0.749 -27.373 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.921 0.382 -28.156 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.344 0.846 -29.067 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.865 -1.741 -29.147 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.186 -1.944 -28.686 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.617 -1.666 -30.878 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.117 0.008 -30.744 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.569 -0.980 -31.087 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.724 -2.367 -31.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.239 -0.754 -33.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.556 -0.890 -33.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.375 0.454 -32.651 1.00 0.00 H new ATOM 42 N CYS A 3 15.468 1.667 -27.228 1.00 0.00 N ATOM 43 CA CYS A 3 16.038 2.979 -26.861 1.00 0.00 C ATOM 44 C CYS A 3 15.111 4.096 -27.341 1.00 0.00 C ATOM 45 O CYS A 3 14.586 4.051 -28.436 1.00 0.00 O ATOM 46 CB CYS A 3 17.392 3.124 -27.543 1.00 0.00 C ATOM 47 SG CYS A 3 18.605 2.054 -26.734 1.00 0.00 S ATOM 0 H CYS A 3 16.037 1.113 -27.868 1.00 0.00 H new ATOM 0 HA CYS A 3 16.149 3.046 -25.779 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.308 2.861 -28.597 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.722 4.162 -27.498 1.00 0.00 H new ATOM 52 N ASP A 4 14.906 5.098 -26.534 1.00 0.00 N ATOM 53 CA ASP A 4 14.018 6.212 -26.949 1.00 0.00 C ATOM 54 C ASP A 4 14.528 7.525 -26.354 1.00 0.00 C ATOM 55 O ASP A 4 15.395 7.542 -25.503 1.00 0.00 O ATOM 56 CB ASP A 4 12.608 5.950 -26.434 1.00 0.00 C ATOM 57 CG ASP A 4 12.294 4.457 -26.533 1.00 0.00 C ATOM 58 OD1 ASP A 4 12.202 3.964 -27.646 1.00 0.00 O ATOM 59 OD2 ASP A 4 12.154 3.830 -25.496 1.00 0.00 O ATOM 0 H ASP A 4 15.316 5.192 -25.605 1.00 0.00 H new ATOM 0 HA ASP A 4 14.011 6.281 -28.037 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.520 6.282 -25.400 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.886 6.523 -27.015 1.00 0.00 H new ATOM 64 N ILE A 5 13.986 8.621 -26.797 1.00 0.00 N ATOM 65 CA ILE A 5 14.419 9.944 -26.267 1.00 0.00 C ATOM 66 C ILE A 5 13.934 10.106 -24.822 1.00 0.00 C ATOM 67 O ILE A 5 14.542 10.795 -24.027 1.00 0.00 O ATOM 68 CB ILE A 5 13.825 11.059 -27.132 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.539 11.091 -28.487 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.008 12.406 -26.431 1.00 0.00 C ATOM 71 CD1 ILE A 5 16.052 11.123 -28.266 1.00 0.00 C ATOM 0 H ILE A 5 13.256 8.660 -27.509 1.00 0.00 H new ATOM 0 HA ILE A 5 15.507 10.003 -26.291 1.00 0.00 H new ATOM 0 HB ILE A 5 12.762 10.870 -27.283 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.265 10.215 -29.075 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.225 11.967 -29.055 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.584 13.198 -27.049 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.500 12.386 -25.467 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.070 12.595 -26.277 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.560 11.146 -29.230 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.318 12.013 -27.695 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.358 10.233 -27.715 1.00 0.00 H new ATOM 83 N THR A 6 12.835 9.490 -24.481 1.00 0.00 N ATOM 84 CA THR A 6 12.300 9.618 -23.098 1.00 0.00 C ATOM 85 C THR A 6 13.406 9.343 -22.082 1.00 0.00 C ATOM 86 O THR A 6 13.613 10.104 -21.158 1.00 0.00 O ATOM 87 CB THR A 6 11.166 8.610 -22.896 1.00 0.00 C ATOM 88 OG1 THR A 6 10.038 9.009 -23.663 1.00 0.00 O ATOM 89 CG2 THR A 6 10.785 8.554 -21.416 1.00 0.00 C ATOM 0 H THR A 6 12.283 8.901 -25.105 1.00 0.00 H new ATOM 0 HA THR A 6 11.924 10.631 -22.954 1.00 0.00 H new ATOM 0 HB THR A 6 11.496 7.623 -23.220 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.311 8.364 -23.536 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.977 7.836 -21.275 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.650 8.247 -20.829 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.455 9.540 -21.088 1.00 0.00 H new ATOM 97 N LEU A 7 14.112 8.259 -22.233 1.00 0.00 N ATOM 98 CA LEU A 7 15.185 7.939 -21.269 1.00 0.00 C ATOM 99 C LEU A 7 16.348 8.921 -21.425 1.00 0.00 C ATOM 100 O LEU A 7 16.896 9.390 -20.447 1.00 0.00 O ATOM 101 CB LEU A 7 15.667 6.511 -21.493 1.00 0.00 C ATOM 102 CG LEU A 7 14.486 5.532 -21.436 1.00 0.00 C ATOM 103 CD1 LEU A 7 13.895 5.349 -22.835 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.978 4.180 -20.915 1.00 0.00 C ATOM 0 H LEU A 7 13.988 7.582 -22.986 1.00 0.00 H new ATOM 0 HA LEU A 7 14.792 8.028 -20.256 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.164 6.436 -22.460 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.404 6.246 -20.735 1.00 0.00 H new ATOM 0 HG LEU A 7 13.719 5.930 -20.771 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.057 4.653 -22.788 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.547 6.311 -23.212 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.659 4.952 -23.504 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.143 3.481 -20.872 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.745 3.789 -21.584 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.397 4.305 -19.917 1.00 0.00 H new ATOM 116 N GLN A 8 16.735 9.254 -22.629 1.00 0.00 N ATOM 117 CA GLN A 8 17.856 10.219 -22.778 1.00 0.00 C ATOM 118 C GLN A 8 17.540 11.451 -21.945 1.00 0.00 C ATOM 119 O GLN A 8 18.411 12.114 -21.415 1.00 0.00 O ATOM 120 CB GLN A 8 18.011 10.613 -24.249 1.00 0.00 C ATOM 121 CG GLN A 8 18.700 9.478 -25.011 1.00 0.00 C ATOM 122 CD GLN A 8 18.306 9.544 -26.488 1.00 0.00 C ATOM 123 OE1 GLN A 8 17.704 8.625 -27.008 1.00 0.00 O ATOM 124 NE2 GLN A 8 18.623 10.597 -27.190 1.00 0.00 N ATOM 0 H GLN A 8 16.330 8.906 -23.498 1.00 0.00 H new ATOM 0 HA GLN A 8 18.788 9.766 -22.439 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.034 10.819 -24.686 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.596 11.529 -24.332 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.782 9.561 -24.908 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.412 8.515 -24.589 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.128 11.368 -26.753 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.366 10.649 -28.176 1.00 0.00 H new ATOM 133 N GLU A 9 16.287 11.744 -21.830 1.00 0.00 N ATOM 134 CA GLU A 9 15.843 12.921 -21.033 1.00 0.00 C ATOM 135 C GLU A 9 16.047 12.655 -19.537 1.00 0.00 C ATOM 136 O GLU A 9 16.600 13.470 -18.824 1.00 0.00 O ATOM 137 CB GLU A 9 14.361 13.186 -21.302 1.00 0.00 C ATOM 138 CG GLU A 9 14.221 14.261 -22.382 1.00 0.00 C ATOM 139 CD GLU A 9 12.785 14.273 -22.909 1.00 0.00 C ATOM 140 OE1 GLU A 9 12.124 13.253 -22.790 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.370 15.299 -23.421 1.00 0.00 O ATOM 0 H GLU A 9 15.531 11.211 -22.261 1.00 0.00 H new ATOM 0 HA GLU A 9 16.434 13.790 -21.324 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.869 12.268 -21.622 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.867 13.510 -20.386 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.477 15.238 -21.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.917 14.065 -23.198 1.00 0.00 H new ATOM 148 N ILE A 10 15.588 11.531 -19.052 1.00 0.00 N ATOM 149 CA ILE A 10 15.737 11.230 -17.600 1.00 0.00 C ATOM 150 C ILE A 10 17.211 11.306 -17.193 1.00 0.00 C ATOM 151 O ILE A 10 17.554 11.954 -16.229 1.00 0.00 O ATOM 152 CB ILE A 10 15.188 9.825 -17.314 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.660 9.884 -17.240 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.733 9.308 -15.979 1.00 0.00 C ATOM 155 CD1 ILE A 10 13.080 10.017 -18.647 1.00 0.00 C ATOM 0 H ILE A 10 15.117 10.810 -19.599 1.00 0.00 H new ATOM 0 HA ILE A 10 15.177 11.965 -17.022 1.00 0.00 H new ATOM 0 HB ILE A 10 15.499 9.153 -18.114 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.275 8.984 -16.761 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.349 10.730 -16.627 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.337 8.311 -15.786 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.821 9.264 -16.023 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.429 9.980 -15.177 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.992 10.059 -18.590 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.454 10.930 -19.110 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.379 9.157 -19.247 1.00 0.00 H new ATOM 167 N ILE A 11 18.081 10.651 -17.905 1.00 0.00 N ATOM 168 CA ILE A 11 19.523 10.697 -17.527 1.00 0.00 C ATOM 169 C ILE A 11 19.955 12.152 -17.325 1.00 0.00 C ATOM 170 O ILE A 11 20.746 12.457 -16.455 1.00 0.00 O ATOM 171 CB ILE A 11 20.366 10.046 -18.630 1.00 0.00 C ATOM 172 CG1 ILE A 11 20.253 8.522 -18.528 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.834 10.452 -18.471 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.370 7.905 -19.923 1.00 0.00 C ATOM 0 H ILE A 11 17.861 10.089 -18.727 1.00 0.00 H new ATOM 0 HA ILE A 11 19.672 10.149 -16.596 1.00 0.00 H new ATOM 0 HB ILE A 11 20.000 10.379 -19.601 1.00 0.00 H new ATOM 0 HG12 ILE A 11 21.037 8.132 -17.880 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.300 8.247 -18.076 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.428 9.986 -19.258 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.922 11.536 -18.544 1.00 0.00 H new ATOM 0 HG23 ILE A 11 22.199 10.123 -17.498 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.289 6.820 -19.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.570 8.286 -20.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.334 8.168 -20.358 1.00 0.00 H new ATOM 186 N LYS A 12 19.445 13.051 -18.119 1.00 0.00 N ATOM 187 CA LYS A 12 19.834 14.481 -17.962 1.00 0.00 C ATOM 188 C LYS A 12 19.445 14.968 -16.564 1.00 0.00 C ATOM 189 O LYS A 12 20.183 15.687 -15.920 1.00 0.00 O ATOM 190 CB LYS A 12 19.114 15.326 -19.015 1.00 0.00 C ATOM 191 CG LYS A 12 20.050 16.435 -19.505 1.00 0.00 C ATOM 192 CD LYS A 12 19.294 17.352 -20.469 1.00 0.00 C ATOM 193 CE LYS A 12 19.239 16.705 -21.854 1.00 0.00 C ATOM 194 NZ LYS A 12 19.985 17.551 -22.826 1.00 0.00 N ATOM 0 H LYS A 12 18.778 12.860 -18.867 1.00 0.00 H new ATOM 0 HA LYS A 12 20.912 14.578 -18.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.806 14.699 -19.852 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.208 15.760 -18.592 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.425 17.010 -18.658 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.916 16.000 -20.004 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.284 17.532 -20.100 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.789 18.321 -20.529 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.672 15.705 -21.818 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.203 16.592 -22.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.948 17.112 -23.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.553 18.496 -22.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.976 17.637 -22.523 1.00 0.00 H new ATOM 208 N THR A 13 18.290 14.587 -16.090 1.00 0.00 N ATOM 209 CA THR A 13 17.854 15.036 -14.736 1.00 0.00 C ATOM 210 C THR A 13 18.701 14.350 -13.661 1.00 0.00 C ATOM 211 O THR A 13 19.185 14.982 -12.742 1.00 0.00 O ATOM 212 CB THR A 13 16.377 14.677 -14.536 1.00 0.00 C ATOM 213 OG1 THR A 13 15.572 15.551 -15.315 1.00 0.00 O ATOM 214 CG2 THR A 13 16.005 14.819 -13.061 1.00 0.00 C ATOM 0 H THR A 13 17.629 13.985 -16.581 1.00 0.00 H new ATOM 0 HA THR A 13 17.983 16.115 -14.654 1.00 0.00 H new ATOM 0 HB THR A 13 16.209 13.647 -14.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.627 15.323 -15.191 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.954 14.563 -12.924 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.623 14.148 -12.464 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.172 15.847 -12.741 1.00 0.00 H new ATOM 222 N LEU A 14 18.881 13.063 -13.764 1.00 0.00 N ATOM 223 CA LEU A 14 19.691 12.339 -12.749 1.00 0.00 C ATOM 224 C LEU A 14 21.059 13.011 -12.609 1.00 0.00 C ATOM 225 O LEU A 14 21.646 13.041 -11.546 1.00 0.00 O ATOM 226 CB LEU A 14 19.887 10.887 -13.207 1.00 0.00 C ATOM 227 CG LEU A 14 18.614 10.065 -12.952 1.00 0.00 C ATOM 228 CD1 LEU A 14 17.369 10.903 -13.258 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.621 8.828 -13.857 1.00 0.00 C ATOM 0 H LEU A 14 18.500 12.481 -14.510 1.00 0.00 H new ATOM 0 HA LEU A 14 19.176 12.360 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.135 10.865 -14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.727 10.442 -12.674 1.00 0.00 H new ATOM 0 HG LEU A 14 18.592 9.764 -11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.475 10.307 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.357 11.784 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.388 11.214 -14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.719 8.242 -13.679 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.650 9.141 -14.901 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.498 8.220 -13.636 1.00 0.00 H new ATOM 241 N ASN A 15 21.573 13.542 -13.683 1.00 0.00 N ATOM 242 CA ASN A 15 22.908 14.207 -13.633 1.00 0.00 C ATOM 243 C ASN A 15 22.824 15.536 -12.857 1.00 0.00 C ATOM 244 O ASN A 15 23.634 15.796 -11.992 1.00 0.00 O ATOM 245 CB ASN A 15 23.378 14.490 -15.062 1.00 0.00 C ATOM 246 CG ASN A 15 24.731 13.813 -15.295 1.00 0.00 C ATOM 247 OD1 ASN A 15 25.702 14.128 -14.637 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.834 12.890 -16.211 1.00 0.00 N ATOM 0 H ASN A 15 21.124 13.545 -14.599 1.00 0.00 H new ATOM 0 HA ASN A 15 23.612 13.548 -13.125 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.645 14.119 -15.778 1.00 0.00 H new ATOM 0 HB3 ASN A 15 23.464 15.565 -15.222 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.731 12.432 -16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.018 12.626 -16.763 1.00 0.00 H new ATOM 255 N SER A 16 21.875 16.405 -13.173 1.00 0.00 N ATOM 256 CA SER A 16 21.802 17.713 -12.457 1.00 0.00 C ATOM 257 C SER A 16 21.679 17.512 -10.940 1.00 0.00 C ATOM 258 O SER A 16 22.398 18.115 -10.170 1.00 0.00 O ATOM 259 CB SER A 16 20.586 18.494 -12.959 1.00 0.00 C ATOM 260 OG SER A 16 20.993 19.790 -13.374 1.00 0.00 O ATOM 0 H SER A 16 21.162 16.258 -13.888 1.00 0.00 H new ATOM 0 HA SER A 16 22.720 18.265 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.118 17.965 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.839 18.571 -12.169 1.00 0.00 H new ATOM 0 HG SER A 16 20.214 20.290 -13.697 1.00 0.00 H new ATOM 266 N LEU A 17 20.765 16.693 -10.503 1.00 0.00 N ATOM 267 CA LEU A 17 20.591 16.489 -9.034 1.00 0.00 C ATOM 268 C LEU A 17 21.895 15.999 -8.395 1.00 0.00 C ATOM 269 O LEU A 17 22.208 16.345 -7.274 1.00 0.00 O ATOM 270 CB LEU A 17 19.483 15.460 -8.789 1.00 0.00 C ATOM 271 CG LEU A 17 18.269 15.802 -9.656 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.055 14.985 -9.196 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.957 17.295 -9.526 1.00 0.00 C ATOM 0 H LEU A 17 20.131 16.156 -11.095 1.00 0.00 H new ATOM 0 HA LEU A 17 20.319 17.442 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.843 14.459 -9.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.202 15.456 -7.736 1.00 0.00 H new ATOM 0 HG LEU A 17 18.490 15.562 -10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 17 16.194 15.232 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.276 13.922 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.832 15.220 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.093 17.541 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.739 17.532 -8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.817 17.877 -9.858 1.00 0.00 H new ATOM 285 N THR A 18 22.654 15.192 -9.082 1.00 0.00 N ATOM 286 CA THR A 18 23.924 14.689 -8.483 1.00 0.00 C ATOM 287 C THR A 18 24.937 15.821 -8.377 1.00 0.00 C ATOM 288 O THR A 18 25.580 16.012 -7.364 1.00 0.00 O ATOM 289 CB THR A 18 24.494 13.566 -9.353 1.00 0.00 C ATOM 290 OG1 THR A 18 23.668 12.416 -9.239 1.00 0.00 O ATOM 291 CG2 THR A 18 25.912 13.228 -8.888 1.00 0.00 C ATOM 0 H THR A 18 22.453 14.860 -10.025 1.00 0.00 H new ATOM 0 HA THR A 18 23.718 14.304 -7.484 1.00 0.00 H new ATOM 0 HB THR A 18 24.524 13.890 -10.393 1.00 0.00 H new ATOM 0 HG1 THR A 18 24.030 11.696 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 18 26.317 12.428 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 18 26.544 14.112 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.886 12.903 -7.848 1.00 0.00 H new ATOM 299 N GLU A 19 25.076 16.565 -9.420 1.00 0.00 N ATOM 300 CA GLU A 19 26.043 17.698 -9.417 1.00 0.00 C ATOM 301 C GLU A 19 25.788 18.575 -8.200 1.00 0.00 C ATOM 302 O GLU A 19 26.678 19.206 -7.667 1.00 0.00 O ATOM 303 CB GLU A 19 25.878 18.521 -10.696 1.00 0.00 C ATOM 304 CG GLU A 19 27.250 18.773 -11.322 1.00 0.00 C ATOM 305 CD GLU A 19 27.141 18.679 -12.846 1.00 0.00 C ATOM 306 OE1 GLU A 19 26.564 19.577 -13.436 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.637 17.709 -13.396 1.00 0.00 O ATOM 0 H GLU A 19 24.559 16.443 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 19 27.060 17.309 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.237 17.992 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.390 19.469 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.618 19.758 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.970 18.043 -10.953 1.00 0.00 H new ATOM 314 N GLN A 20 24.572 18.612 -7.768 1.00 0.00 N ATOM 315 CA GLN A 20 24.216 19.441 -6.582 1.00 0.00 C ATOM 316 C GLN A 20 23.216 18.682 -5.708 1.00 0.00 C ATOM 317 O GLN A 20 22.087 18.455 -6.097 1.00 0.00 O ATOM 318 CB GLN A 20 23.594 20.757 -7.049 1.00 0.00 C ATOM 319 CG GLN A 20 24.529 21.436 -8.050 1.00 0.00 C ATOM 320 CD GLN A 20 24.140 22.908 -8.200 1.00 0.00 C ATOM 321 OE1 GLN A 20 24.545 23.738 -7.411 1.00 0.00 O ATOM 322 NE2 GLN A 20 23.365 23.269 -9.186 1.00 0.00 N ATOM 0 H GLN A 20 23.794 18.100 -8.185 1.00 0.00 H new ATOM 0 HA GLN A 20 25.115 19.651 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.624 20.570 -7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.420 21.412 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 20 25.562 21.355 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 20 24.471 20.934 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.025 22.572 -9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.100 24.248 -9.294 1.00 0.00 H new ATOM 331 N LYS A 21 23.618 18.285 -4.531 1.00 0.00 N ATOM 332 CA LYS A 21 22.687 17.537 -3.638 1.00 0.00 C ATOM 333 C LYS A 21 23.105 17.742 -2.177 1.00 0.00 C ATOM 334 O LYS A 21 23.278 16.798 -1.433 1.00 0.00 O ATOM 335 CB LYS A 21 22.744 16.046 -3.987 1.00 0.00 C ATOM 336 CG LYS A 21 24.060 15.450 -3.479 1.00 0.00 C ATOM 337 CD LYS A 21 24.805 14.791 -4.642 1.00 0.00 C ATOM 338 CE LYS A 21 25.059 13.319 -4.317 1.00 0.00 C ATOM 339 NZ LYS A 21 24.634 12.476 -5.470 1.00 0.00 N ATOM 0 H LYS A 21 24.550 18.446 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 21 21.670 17.905 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 21 21.899 15.524 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.664 15.911 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 21 24.677 16.230 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.862 14.716 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.220 14.876 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.751 15.304 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 21 26.116 13.159 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.508 13.033 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.696 12.070 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 24.588 13.060 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 25.321 11.708 -5.610 1.00 0.00 H new ATOM 353 N THR A 22 23.291 18.970 -1.767 1.00 0.00 N ATOM 354 CA THR A 22 23.720 19.231 -0.360 1.00 0.00 C ATOM 355 C THR A 22 22.529 19.672 0.519 1.00 0.00 C ATOM 356 O THR A 22 22.727 20.138 1.623 1.00 0.00 O ATOM 357 CB THR A 22 24.768 20.347 -0.364 1.00 0.00 C ATOM 358 OG1 THR A 22 25.376 20.425 0.917 1.00 0.00 O ATOM 359 CG2 THR A 22 24.097 21.680 -0.696 1.00 0.00 C ATOM 0 H THR A 22 23.165 19.802 -2.344 1.00 0.00 H new ATOM 0 HA THR A 22 24.130 18.309 0.052 1.00 0.00 H new ATOM 0 HB THR A 22 25.528 20.131 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.684 20.388 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 22 24.845 22.473 -0.698 1.00 0.00 H new ATOM 0 HG22 THR A 22 23.631 21.618 -1.679 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.336 21.901 0.053 1.00 0.00 H new ATOM 367 N LEU A 23 21.296 19.546 0.068 1.00 0.00 N ATOM 368 CA LEU A 23 20.161 19.979 0.926 1.00 0.00 C ATOM 369 C LEU A 23 19.497 18.758 1.545 1.00 0.00 C ATOM 370 O LEU A 23 19.882 18.285 2.595 1.00 0.00 O ATOM 371 CB LEU A 23 19.152 20.757 0.077 1.00 0.00 C ATOM 372 CG LEU A 23 17.881 21.016 0.891 1.00 0.00 C ATOM 373 CD1 LEU A 23 18.257 21.518 2.287 1.00 0.00 C ATOM 374 CD2 LEU A 23 17.032 22.074 0.183 1.00 0.00 C ATOM 0 H LEU A 23 21.039 19.167 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 23 20.527 20.624 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.587 21.703 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.910 20.193 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 23 17.314 20.090 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 23 17.351 21.702 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.863 20.767 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 23 18.825 22.444 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.127 22.260 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.602 22.999 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.761 21.718 -0.811 1.00 0.00 H new ATOM 386 N CYS A 24 18.507 18.254 0.896 1.00 0.00 N ATOM 387 CA CYS A 24 17.793 17.054 1.421 1.00 0.00 C ATOM 388 C CYS A 24 17.568 16.047 0.289 1.00 0.00 C ATOM 389 O CYS A 24 16.502 15.483 0.165 1.00 0.00 O ATOM 390 CB CYS A 24 16.445 17.469 2.016 1.00 0.00 C ATOM 391 SG CYS A 24 16.278 16.741 3.666 1.00 0.00 S ATOM 0 H CYS A 24 18.148 18.617 0.013 1.00 0.00 H new ATOM 0 HA CYS A 24 18.401 16.591 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.378 18.555 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.631 17.135 1.373 1.00 0.00 H new ATOM 396 N THR A 25 18.579 15.808 -0.519 1.00 0.00 N ATOM 397 CA THR A 25 18.458 14.812 -1.633 1.00 0.00 C ATOM 398 C THR A 25 17.636 13.627 -1.142 1.00 0.00 C ATOM 399 O THR A 25 18.177 12.722 -0.551 1.00 0.00 O ATOM 400 CB THR A 25 19.864 14.339 -2.004 1.00 0.00 C ATOM 401 OG1 THR A 25 19.776 13.136 -2.741 1.00 0.00 O ATOM 402 CG2 THR A 25 20.678 14.105 -0.731 1.00 0.00 C ATOM 0 H THR A 25 19.489 16.265 -0.452 1.00 0.00 H new ATOM 0 HA THR A 25 17.972 15.258 -2.501 1.00 0.00 H new ATOM 0 HB THR A 25 20.356 15.100 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 25 20.553 12.573 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 25 21.680 13.768 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.746 15.035 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.189 13.345 -0.121 1.00 0.00 H new ATOM 410 N GLU A 26 16.327 13.663 -1.348 1.00 0.00 N ATOM 411 CA GLU A 26 15.419 12.566 -0.865 1.00 0.00 C ATOM 412 C GLU A 26 16.107 11.820 0.260 1.00 0.00 C ATOM 413 O GLU A 26 16.259 10.615 0.239 1.00 0.00 O ATOM 414 CB GLU A 26 15.065 11.617 -1.998 1.00 0.00 C ATOM 415 CG GLU A 26 14.726 12.429 -3.251 1.00 0.00 C ATOM 416 CD GLU A 26 13.618 13.434 -2.922 1.00 0.00 C ATOM 417 OE1 GLU A 26 13.871 14.328 -2.132 1.00 0.00 O ATOM 418 OE2 GLU A 26 12.537 13.292 -3.468 1.00 0.00 O ATOM 0 H GLU A 26 15.849 14.419 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 26 14.489 13.002 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 26 15.900 10.946 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.217 10.994 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.612 12.953 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.403 11.764 -4.052 1.00 0.00 H new ATOM 425 N LEU A 27 16.563 12.578 1.218 1.00 0.00 N ATOM 426 CA LEU A 27 17.309 12.017 2.371 1.00 0.00 C ATOM 427 C LEU A 27 16.874 10.582 2.664 1.00 0.00 C ATOM 428 O LEU A 27 15.733 10.231 2.507 1.00 0.00 O ATOM 429 CB LEU A 27 17.120 12.932 3.578 1.00 0.00 C ATOM 430 CG LEU A 27 15.801 12.660 4.252 1.00 0.00 C ATOM 431 CD1 LEU A 27 15.945 11.439 5.152 1.00 0.00 C ATOM 432 CD2 LEU A 27 15.418 13.885 5.094 1.00 0.00 C ATOM 0 H LEU A 27 16.444 13.591 1.247 1.00 0.00 H new ATOM 0 HA LEU A 27 18.371 11.972 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.934 12.780 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 27 17.164 13.974 3.261 1.00 0.00 H new ATOM 0 HG LEU A 27 15.027 12.470 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.994 11.235 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 27 16.235 10.577 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.709 11.630 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.464 13.703 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.187 14.065 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.330 14.758 4.447 1.00 0.00 H new ATOM 444 N THR A 28 17.818 9.757 3.049 1.00 0.00 N ATOM 445 CA THR A 28 17.546 8.301 3.330 1.00 0.00 C ATOM 446 C THR A 28 16.270 7.831 2.621 1.00 0.00 C ATOM 447 O THR A 28 15.167 8.125 3.041 1.00 0.00 O ATOM 448 CB THR A 28 17.423 8.075 4.836 1.00 0.00 C ATOM 449 OG1 THR A 28 16.437 8.944 5.371 1.00 0.00 O ATOM 450 CG2 THR A 28 18.772 8.352 5.495 1.00 0.00 C ATOM 0 H THR A 28 18.790 10.034 3.185 1.00 0.00 H new ATOM 0 HA THR A 28 18.382 7.717 2.945 1.00 0.00 H new ATOM 0 HB THR A 28 17.128 7.044 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.633 8.910 4.812 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.691 8.193 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.523 7.678 5.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.066 9.384 5.302 1.00 0.00 H new ATOM 458 N VAL A 29 16.404 7.101 1.543 1.00 0.00 N ATOM 459 CA VAL A 29 15.191 6.640 0.811 1.00 0.00 C ATOM 460 C VAL A 29 15.291 5.144 0.493 1.00 0.00 C ATOM 461 O VAL A 29 16.353 4.554 0.532 1.00 0.00 O ATOM 462 CB VAL A 29 15.045 7.455 -0.490 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.163 8.689 -0.243 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.411 7.933 -0.975 1.00 0.00 C ATOM 0 H VAL A 29 17.295 6.807 1.142 1.00 0.00 H new ATOM 0 HA VAL A 29 14.313 6.795 1.438 1.00 0.00 H new ATOM 0 HB VAL A 29 14.590 6.811 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.066 9.258 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.176 8.370 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.620 9.316 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.291 8.507 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.868 8.563 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.051 7.072 -1.166 1.00 0.00 H new ATOM 474 N THR A 30 14.172 4.530 0.197 1.00 0.00 N ATOM 475 CA THR A 30 14.154 3.067 -0.109 1.00 0.00 C ATOM 476 C THR A 30 15.395 2.666 -0.911 1.00 0.00 C ATOM 477 O THR A 30 15.740 3.285 -1.898 1.00 0.00 O ATOM 478 CB THR A 30 12.899 2.732 -0.914 1.00 0.00 C ATOM 479 OG1 THR A 30 11.749 3.020 -0.131 1.00 0.00 O ATOM 480 CG2 THR A 30 12.908 1.248 -1.274 1.00 0.00 C ATOM 0 H THR A 30 13.261 4.986 0.154 1.00 0.00 H new ATOM 0 HA THR A 30 14.152 2.514 0.830 1.00 0.00 H new ATOM 0 HB THR A 30 12.880 3.328 -1.827 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.021 2.415 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.013 1.007 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.793 1.023 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.924 0.652 -0.361 1.00 0.00 H new ATOM 488 N ASP A 31 16.070 1.629 -0.487 1.00 0.00 N ATOM 489 CA ASP A 31 17.292 1.174 -1.212 1.00 0.00 C ATOM 490 C ASP A 31 16.908 0.275 -2.395 1.00 0.00 C ATOM 491 O ASP A 31 17.620 0.215 -3.374 1.00 0.00 O ATOM 492 CB ASP A 31 18.182 0.384 -0.251 1.00 0.00 C ATOM 493 CG ASP A 31 19.552 0.158 -0.892 1.00 0.00 C ATOM 494 OD1 ASP A 31 20.010 1.046 -1.592 1.00 0.00 O ATOM 495 OD2 ASP A 31 20.120 -0.900 -0.674 1.00 0.00 O ATOM 0 H ASP A 31 15.825 1.076 0.334 1.00 0.00 H new ATOM 0 HA ASP A 31 17.826 2.047 -1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.293 0.927 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.718 -0.573 -0.013 1.00 0.00 H new ATOM 500 N ILE A 32 15.780 -0.403 -2.298 1.00 0.00 N ATOM 501 CA ILE A 32 15.284 -1.321 -3.390 1.00 0.00 C ATOM 502 C ILE A 32 16.343 -1.572 -4.465 1.00 0.00 C ATOM 503 O ILE A 32 16.112 -1.325 -5.633 1.00 0.00 O ATOM 504 CB ILE A 32 14.080 -0.677 -4.054 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.332 0.824 -4.164 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.842 -0.938 -3.203 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.054 1.279 -5.596 1.00 0.00 C ATOM 0 H ILE A 32 15.165 -0.357 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 32 15.033 -2.277 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 32 13.923 -1.095 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.691 1.364 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.362 1.052 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.973 -0.478 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.681 -2.012 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.986 -0.510 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.233 2.351 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.714 0.747 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.016 1.064 -5.851 1.00 0.00 H new ATOM 519 N PHE A 33 17.499 -2.045 -4.102 1.00 0.00 N ATOM 520 CA PHE A 33 18.538 -2.279 -5.140 1.00 0.00 C ATOM 521 C PHE A 33 19.413 -3.493 -4.772 1.00 0.00 C ATOM 522 O PHE A 33 20.615 -3.461 -4.939 1.00 0.00 O ATOM 523 CB PHE A 33 19.411 -1.033 -5.251 1.00 0.00 C ATOM 524 CG PHE A 33 18.793 -0.105 -6.267 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.670 -0.517 -7.599 1.00 0.00 C ATOM 526 CD2 PHE A 33 18.329 1.158 -5.879 1.00 0.00 C ATOM 527 CE1 PHE A 33 18.087 0.335 -8.545 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.743 2.008 -6.823 1.00 0.00 C ATOM 529 CZ PHE A 33 17.623 1.596 -8.158 1.00 0.00 C ATOM 0 H PHE A 33 17.768 -2.277 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 33 18.051 -2.485 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.489 -0.537 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.423 -1.305 -5.552 1.00 0.00 H new ATOM 0 HD1 PHE A 33 19.025 -1.492 -7.897 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.424 1.476 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.996 0.018 -9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.383 2.981 -6.524 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.172 2.253 -8.887 1.00 0.00 H new ATOM 539 N ALA A 34 18.834 -4.573 -4.285 1.00 0.00 N ATOM 540 CA ALA A 34 19.662 -5.762 -3.938 1.00 0.00 C ATOM 541 C ALA A 34 19.737 -6.673 -5.160 1.00 0.00 C ATOM 542 O ALA A 34 19.626 -7.879 -5.056 1.00 0.00 O ATOM 543 CB ALA A 34 19.022 -6.514 -2.770 1.00 0.00 C ATOM 0 H ALA A 34 17.833 -4.674 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 34 20.664 -5.447 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.631 -7.383 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.957 -5.855 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.021 -6.841 -3.053 1.00 0.00 H new ATOM 549 N ALA A 35 19.910 -6.082 -6.314 1.00 0.00 N ATOM 550 CA ALA A 35 19.991 -6.860 -7.590 1.00 0.00 C ATOM 551 C ALA A 35 18.592 -6.981 -8.198 1.00 0.00 C ATOM 552 O ALA A 35 17.999 -8.039 -8.212 1.00 0.00 O ATOM 553 CB ALA A 35 20.566 -8.255 -7.336 1.00 0.00 C ATOM 0 H ALA A 35 20.000 -5.073 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 35 20.651 -6.336 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.617 -8.804 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 35 21.567 -8.165 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.925 -8.791 -6.637 1.00 0.00 H new ATOM 559 N SER A 36 18.064 -5.897 -8.700 1.00 0.00 N ATOM 560 CA SER A 36 16.705 -5.932 -9.310 1.00 0.00 C ATOM 561 C SER A 36 15.742 -6.666 -8.383 1.00 0.00 C ATOM 562 O SER A 36 14.818 -7.316 -8.826 1.00 0.00 O ATOM 563 CB SER A 36 16.765 -6.644 -10.662 1.00 0.00 C ATOM 564 OG SER A 36 17.933 -7.448 -10.723 1.00 0.00 O ATOM 0 H SER A 36 18.519 -4.984 -8.713 1.00 0.00 H new ATOM 0 HA SER A 36 16.352 -4.911 -9.457 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.878 -7.262 -10.799 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.772 -5.913 -11.470 1.00 0.00 H new ATOM 0 HG SER A 36 17.727 -8.349 -10.397 1.00 0.00 H new ATOM 570 N LYS A 37 15.947 -6.532 -7.100 1.00 0.00 N ATOM 571 CA LYS A 37 15.064 -7.180 -6.093 1.00 0.00 C ATOM 572 C LYS A 37 14.499 -8.494 -6.638 1.00 0.00 C ATOM 573 O LYS A 37 13.376 -8.866 -6.367 1.00 0.00 O ATOM 574 CB LYS A 37 13.944 -6.206 -5.770 1.00 0.00 C ATOM 575 CG LYS A 37 12.925 -6.867 -4.839 1.00 0.00 C ATOM 576 CD LYS A 37 11.598 -7.044 -5.580 1.00 0.00 C ATOM 577 CE LYS A 37 10.446 -6.594 -4.679 1.00 0.00 C ATOM 578 NZ LYS A 37 9.470 -7.709 -4.525 1.00 0.00 N ATOM 0 H LYS A 37 16.710 -5.986 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 37 15.628 -7.420 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.353 -5.313 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.454 -5.885 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.298 -7.834 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.778 -6.255 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.603 -6.461 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.465 -8.088 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.829 -6.295 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.953 -5.722 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.687 -7.403 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.096 -7.974 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.945 -8.529 -4.096 1.00 0.00 H new ATOM 592 N ASN A 38 15.279 -9.196 -7.411 1.00 0.00 N ATOM 593 CA ASN A 38 14.800 -10.485 -7.982 1.00 0.00 C ATOM 594 C ASN A 38 13.602 -10.219 -8.898 1.00 0.00 C ATOM 595 O ASN A 38 12.526 -10.743 -8.695 1.00 0.00 O ATOM 596 CB ASN A 38 14.379 -11.421 -6.848 1.00 0.00 C ATOM 597 CG ASN A 38 15.149 -12.738 -6.961 1.00 0.00 C ATOM 598 OD1 ASN A 38 15.939 -13.070 -6.101 1.00 0.00 O ATOM 599 ND2 ASN A 38 14.949 -13.510 -7.995 1.00 0.00 N ATOM 0 H ASN A 38 16.229 -8.932 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 38 15.601 -10.951 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.577 -10.953 -5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.306 -11.609 -6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.456 -14.391 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.286 -13.232 -8.718 1.00 0.00 H new ATOM 606 N THR A 39 13.782 -9.411 -9.906 1.00 0.00 N ATOM 607 CA THR A 39 12.653 -9.113 -10.833 1.00 0.00 C ATOM 608 C THR A 39 13.159 -8.258 -12.000 1.00 0.00 C ATOM 609 O THR A 39 14.347 -8.114 -12.207 1.00 0.00 O ATOM 610 CB THR A 39 11.552 -8.362 -10.073 1.00 0.00 C ATOM 611 OG1 THR A 39 10.346 -8.410 -10.822 1.00 0.00 O ATOM 612 CG2 THR A 39 11.967 -6.903 -9.861 1.00 0.00 C ATOM 0 H THR A 39 14.661 -8.944 -10.128 1.00 0.00 H new ATOM 0 HA THR A 39 12.246 -10.045 -11.224 1.00 0.00 H new ATOM 0 HB THR A 39 11.399 -8.833 -9.102 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.743 -7.700 -10.517 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.181 -6.376 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.891 -6.868 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.126 -6.426 -10.828 1.00 0.00 H new ATOM 620 N THR A 40 12.264 -7.697 -12.768 1.00 0.00 N ATOM 621 CA THR A 40 12.691 -6.858 -13.925 1.00 0.00 C ATOM 622 C THR A 40 13.057 -5.454 -13.443 1.00 0.00 C ATOM 623 O THR A 40 12.567 -4.985 -12.435 1.00 0.00 O ATOM 624 CB THR A 40 11.545 -6.767 -14.935 1.00 0.00 C ATOM 625 OG1 THR A 40 10.507 -7.661 -14.554 1.00 0.00 O ATOM 626 CG2 THR A 40 12.058 -7.140 -16.327 1.00 0.00 C ATOM 0 H THR A 40 11.255 -7.783 -12.644 1.00 0.00 H new ATOM 0 HA THR A 40 13.562 -7.313 -14.397 1.00 0.00 H new ATOM 0 HB THR A 40 11.158 -5.748 -14.955 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.772 -7.602 -15.199 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.241 -7.075 -17.045 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.853 -6.453 -16.618 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.446 -8.158 -16.311 1.00 0.00 H new ATOM 634 N GLU A 41 13.910 -4.776 -14.163 1.00 0.00 N ATOM 635 CA GLU A 41 14.302 -3.399 -13.750 1.00 0.00 C ATOM 636 C GLU A 41 13.051 -2.521 -13.699 1.00 0.00 C ATOM 637 O GLU A 41 12.862 -1.745 -12.784 1.00 0.00 O ATOM 638 CB GLU A 41 15.293 -2.821 -14.763 1.00 0.00 C ATOM 639 CG GLU A 41 16.261 -3.918 -15.213 1.00 0.00 C ATOM 640 CD GLU A 41 15.903 -4.365 -16.630 1.00 0.00 C ATOM 641 OE1 GLU A 41 15.410 -3.542 -17.383 1.00 0.00 O ATOM 642 OE2 GLU A 41 16.131 -5.523 -16.940 1.00 0.00 O ATOM 0 H GLU A 41 14.351 -5.116 -15.018 1.00 0.00 H new ATOM 0 HA GLU A 41 14.773 -3.429 -12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.757 -2.419 -15.623 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.846 -1.994 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.286 -3.547 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.210 -4.765 -14.529 1.00 0.00 H new ATOM 649 N LYS A 42 12.191 -2.644 -14.673 1.00 0.00 N ATOM 650 CA LYS A 42 10.949 -1.823 -14.675 1.00 0.00 C ATOM 651 C LYS A 42 10.272 -1.947 -13.312 1.00 0.00 C ATOM 652 O LYS A 42 9.616 -1.035 -12.848 1.00 0.00 O ATOM 653 CB LYS A 42 10.003 -2.329 -15.766 1.00 0.00 C ATOM 654 CG LYS A 42 10.448 -1.780 -17.123 1.00 0.00 C ATOM 655 CD LYS A 42 9.224 -1.575 -18.017 1.00 0.00 C ATOM 656 CE LYS A 42 8.813 -2.913 -18.635 1.00 0.00 C ATOM 657 NZ LYS A 42 7.441 -3.270 -18.177 1.00 0.00 N ATOM 0 H LYS A 42 12.295 -3.277 -15.466 1.00 0.00 H new ATOM 0 HA LYS A 42 11.195 -0.779 -14.871 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.003 -3.419 -15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.982 -2.014 -15.551 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.976 -0.836 -16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.145 -2.471 -17.596 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.400 -1.163 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.451 -0.854 -18.802 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.839 -2.847 -19.723 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.519 -3.692 -18.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.161 -4.179 -18.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.431 -3.349 -17.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.772 -2.531 -18.474 1.00 0.00 H new ATOM 671 N GLU A 43 10.427 -3.070 -12.663 1.00 0.00 N ATOM 672 CA GLU A 43 9.794 -3.247 -11.327 1.00 0.00 C ATOM 673 C GLU A 43 10.504 -2.355 -10.309 1.00 0.00 C ATOM 674 O GLU A 43 9.874 -1.725 -9.484 1.00 0.00 O ATOM 675 CB GLU A 43 9.905 -4.711 -10.895 1.00 0.00 C ATOM 676 CG GLU A 43 9.112 -4.922 -9.604 1.00 0.00 C ATOM 677 CD GLU A 43 8.064 -6.016 -9.820 1.00 0.00 C ATOM 678 OE1 GLU A 43 8.427 -7.178 -9.751 1.00 0.00 O ATOM 679 OE2 GLU A 43 6.917 -5.672 -10.052 1.00 0.00 O ATOM 0 H GLU A 43 10.963 -3.869 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 43 8.742 -2.969 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.523 -5.363 -11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.950 -4.978 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.785 -5.203 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.626 -3.992 -9.307 1.00 0.00 H new ATOM 686 N THR A 44 11.809 -2.283 -10.360 1.00 0.00 N ATOM 687 CA THR A 44 12.522 -1.405 -9.384 1.00 0.00 C ATOM 688 C THR A 44 12.068 0.027 -9.625 1.00 0.00 C ATOM 689 O THR A 44 12.026 0.843 -8.735 1.00 0.00 O ATOM 690 CB THR A 44 14.056 -1.511 -9.532 1.00 0.00 C ATOM 691 OG1 THR A 44 14.663 -1.165 -8.295 1.00 0.00 O ATOM 692 CG2 THR A 44 14.558 -0.552 -10.619 1.00 0.00 C ATOM 0 H THR A 44 12.403 -2.783 -11.021 1.00 0.00 H new ATOM 0 HA THR A 44 12.279 -1.723 -8.370 1.00 0.00 H new ATOM 0 HB THR A 44 14.316 -2.532 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.637 -1.231 -8.379 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.641 -0.640 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.092 -0.806 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.298 0.472 -10.349 1.00 0.00 H new ATOM 700 N PHE A 45 11.721 0.325 -10.834 1.00 0.00 N ATOM 701 CA PHE A 45 11.250 1.693 -11.171 1.00 0.00 C ATOM 702 C PHE A 45 9.877 1.918 -10.542 1.00 0.00 C ATOM 703 O PHE A 45 9.499 3.027 -10.226 1.00 0.00 O ATOM 704 CB PHE A 45 11.158 1.845 -12.684 1.00 0.00 C ATOM 705 CG PHE A 45 12.573 1.884 -13.273 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.631 2.493 -12.562 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.843 1.298 -14.524 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.922 2.510 -13.099 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.138 1.318 -15.050 1.00 0.00 C ATOM 710 CZ PHE A 45 15.174 1.923 -14.339 1.00 0.00 C ATOM 0 H PHE A 45 11.742 -0.327 -11.618 1.00 0.00 H new ATOM 0 HA PHE A 45 11.953 2.430 -10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.596 1.015 -13.112 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.620 2.758 -12.938 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.442 2.947 -11.600 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.045 0.830 -15.081 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.726 2.979 -12.552 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.337 0.864 -16.009 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.173 1.937 -14.749 1.00 0.00 H new ATOM 720 N CYS A 46 9.118 0.871 -10.374 1.00 0.00 N ATOM 721 CA CYS A 46 7.767 1.021 -9.775 1.00 0.00 C ATOM 722 C CYS A 46 7.883 1.432 -8.303 1.00 0.00 C ATOM 723 O CYS A 46 7.286 2.400 -7.871 1.00 0.00 O ATOM 724 CB CYS A 46 7.044 -0.314 -9.861 1.00 0.00 C ATOM 725 SG CYS A 46 5.259 -0.039 -9.844 1.00 0.00 S ATOM 0 H CYS A 46 9.377 -0.083 -10.627 1.00 0.00 H new ATOM 0 HA CYS A 46 7.216 1.790 -10.316 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.333 -0.837 -10.773 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.332 -0.950 -9.024 1.00 0.00 H new ATOM 730 N ARG A 47 8.653 0.713 -7.533 1.00 0.00 N ATOM 731 CA ARG A 47 8.819 1.067 -6.093 1.00 0.00 C ATOM 732 C ARG A 47 9.669 2.316 -5.974 1.00 0.00 C ATOM 733 O ARG A 47 9.331 3.278 -5.316 1.00 0.00 O ATOM 734 CB ARG A 47 9.569 -0.060 -5.398 1.00 0.00 C ATOM 735 CG ARG A 47 9.025 -0.250 -3.980 1.00 0.00 C ATOM 736 CD ARG A 47 9.021 1.095 -3.251 1.00 0.00 C ATOM 737 NE ARG A 47 8.483 0.912 -1.875 1.00 0.00 N ATOM 738 CZ ARG A 47 7.473 1.632 -1.467 1.00 0.00 C ATOM 739 NH1 ARG A 47 7.327 2.854 -1.901 1.00 0.00 N ATOM 740 NH2 ARG A 47 6.611 1.130 -0.627 1.00 0.00 N ATOM 0 H ARG A 47 9.176 -0.107 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 47 7.838 1.227 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.461 -0.984 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.634 0.169 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.015 -0.658 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.639 -0.968 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.032 1.500 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.413 1.815 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 47 8.904 0.224 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.001 3.246 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.538 3.417 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.726 0.175 -0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.822 1.693 -0.308 1.00 0.00 H new ATOM 754 N ALA A 48 10.797 2.263 -6.605 1.00 0.00 N ATOM 755 CA ALA A 48 11.766 3.411 -6.559 1.00 0.00 C ATOM 756 C ALA A 48 11.072 4.701 -6.951 1.00 0.00 C ATOM 757 O ALA A 48 11.152 5.707 -6.276 1.00 0.00 O ATOM 758 CB ALA A 48 12.946 3.169 -7.514 1.00 0.00 C ATOM 0 H ALA A 48 11.106 1.467 -7.163 1.00 0.00 H new ATOM 0 HA ALA A 48 12.141 3.490 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.634 4.013 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.468 2.257 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.574 3.065 -8.533 1.00 0.00 H new ATOM 764 N ALA A 49 10.397 4.665 -8.039 1.00 0.00 N ATOM 765 CA ALA A 49 9.677 5.876 -8.520 1.00 0.00 C ATOM 766 C ALA A 49 8.682 6.307 -7.452 1.00 0.00 C ATOM 767 O ALA A 49 8.438 7.477 -7.244 1.00 0.00 O ATOM 768 CB ALA A 49 8.928 5.557 -9.814 1.00 0.00 C ATOM 0 H ALA A 49 10.303 3.843 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 49 10.392 6.676 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.404 6.448 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.638 5.235 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.207 4.760 -9.630 1.00 0.00 H new ATOM 774 N THR A 50 8.114 5.368 -6.762 1.00 0.00 N ATOM 775 CA THR A 50 7.153 5.724 -5.697 1.00 0.00 C ATOM 776 C THR A 50 7.925 6.366 -4.547 1.00 0.00 C ATOM 777 O THR A 50 7.400 7.168 -3.811 1.00 0.00 O ATOM 778 CB THR A 50 6.453 4.460 -5.196 1.00 0.00 C ATOM 779 OG1 THR A 50 6.079 3.656 -6.307 1.00 0.00 O ATOM 780 CG2 THR A 50 5.207 4.847 -4.398 1.00 0.00 C ATOM 0 H THR A 50 8.274 4.369 -6.890 1.00 0.00 H new ATOM 0 HA THR A 50 6.405 6.417 -6.083 1.00 0.00 H new ATOM 0 HB THR A 50 7.131 3.898 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.805 4.233 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.709 3.945 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.497 5.462 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.526 5.409 -5.037 1.00 0.00 H new ATOM 788 N VAL A 51 9.162 5.985 -4.369 1.00 0.00 N ATOM 789 CA VAL A 51 9.966 6.551 -3.248 1.00 0.00 C ATOM 790 C VAL A 51 10.359 8.012 -3.523 1.00 0.00 C ATOM 791 O VAL A 51 10.085 8.882 -2.723 1.00 0.00 O ATOM 792 CB VAL A 51 11.214 5.660 -3.075 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.450 6.492 -2.726 1.00 0.00 C ATOM 794 CG2 VAL A 51 10.966 4.638 -1.968 1.00 0.00 C ATOM 0 H VAL A 51 9.650 5.306 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 51 9.377 6.559 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 51 11.398 5.152 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.311 5.834 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.644 7.208 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.276 7.028 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.849 4.010 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.760 5.158 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.111 4.015 -2.232 1.00 0.00 H new ATOM 804 N LEU A 52 10.977 8.309 -4.636 1.00 0.00 N ATOM 805 CA LEU A 52 11.330 9.736 -4.892 1.00 0.00 C ATOM 806 C LEU A 52 10.026 10.515 -5.043 1.00 0.00 C ATOM 807 O LEU A 52 9.953 11.692 -4.753 1.00 0.00 O ATOM 808 CB LEU A 52 12.256 9.877 -6.129 1.00 0.00 C ATOM 809 CG LEU A 52 11.480 10.117 -7.436 1.00 0.00 C ATOM 810 CD1 LEU A 52 10.387 9.067 -7.606 1.00 0.00 C ATOM 811 CD2 LEU A 52 10.867 11.522 -7.444 1.00 0.00 C ATOM 0 H LEU A 52 11.247 7.645 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 52 11.899 10.145 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.947 10.704 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.858 8.974 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 52 12.177 10.035 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.847 9.251 -8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.837 8.075 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.694 9.124 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.322 11.676 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.183 11.625 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.660 12.265 -7.361 1.00 0.00 H new ATOM 823 N ARG A 53 8.990 9.856 -5.486 1.00 0.00 N ATOM 824 CA ARG A 53 7.681 10.533 -5.648 1.00 0.00 C ATOM 825 C ARG A 53 7.142 10.925 -4.271 1.00 0.00 C ATOM 826 O ARG A 53 6.687 12.034 -4.069 1.00 0.00 O ATOM 827 CB ARG A 53 6.706 9.565 -6.329 1.00 0.00 C ATOM 828 CG ARG A 53 5.270 10.071 -6.171 1.00 0.00 C ATOM 829 CD ARG A 53 4.559 9.259 -5.087 1.00 0.00 C ATOM 830 NE ARG A 53 3.847 10.184 -4.162 1.00 0.00 N ATOM 831 CZ ARG A 53 2.662 10.632 -4.472 1.00 0.00 C ATOM 832 NH1 ARG A 53 2.232 10.543 -5.701 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.905 11.169 -3.554 1.00 0.00 N ATOM 0 H ARG A 53 8.999 8.869 -5.744 1.00 0.00 H new ATOM 0 HA ARG A 53 7.794 11.430 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.953 9.471 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.801 8.572 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.273 11.128 -5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.735 9.981 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.851 8.566 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.282 8.659 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 53 4.286 10.467 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.823 10.123 -6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.305 10.893 -5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.240 11.239 -2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.978 11.519 -3.798 1.00 0.00 H new ATOM 847 N GLN A 54 7.173 10.025 -3.318 1.00 0.00 N ATOM 848 CA GLN A 54 6.641 10.369 -1.967 1.00 0.00 C ATOM 849 C GLN A 54 7.556 11.362 -1.257 1.00 0.00 C ATOM 850 O GLN A 54 7.127 12.152 -0.440 1.00 0.00 O ATOM 851 CB GLN A 54 6.513 9.098 -1.125 1.00 0.00 C ATOM 852 CG GLN A 54 5.454 8.181 -1.737 1.00 0.00 C ATOM 853 CD GLN A 54 4.282 8.033 -0.766 1.00 0.00 C ATOM 854 OE1 GLN A 54 3.146 8.282 -1.122 1.00 0.00 O ATOM 855 NE2 GLN A 54 4.508 7.637 0.457 1.00 0.00 N ATOM 0 H GLN A 54 7.540 9.078 -3.417 1.00 0.00 H new ATOM 0 HA GLN A 54 5.661 10.830 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.472 8.582 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.239 9.354 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.105 8.593 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.886 7.204 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.460 7.428 0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.733 7.537 1.112 1.00 0.00 H new ATOM 864 N PHE A 55 8.810 11.302 -1.546 1.00 0.00 N ATOM 865 CA PHE A 55 9.785 12.207 -0.882 1.00 0.00 C ATOM 866 C PHE A 55 9.627 13.654 -1.359 1.00 0.00 C ATOM 867 O PHE A 55 9.530 14.558 -0.563 1.00 0.00 O ATOM 868 CB PHE A 55 11.201 11.713 -1.176 1.00 0.00 C ATOM 869 CG PHE A 55 12.150 12.321 -0.176 1.00 0.00 C ATOM 870 CD1 PHE A 55 12.363 13.706 -0.143 1.00 0.00 C ATOM 871 CD2 PHE A 55 12.812 11.489 0.723 1.00 0.00 C ATOM 872 CE1 PHE A 55 13.256 14.257 0.800 1.00 0.00 C ATOM 873 CE2 PHE A 55 13.700 12.030 1.654 1.00 0.00 C ATOM 874 CZ PHE A 55 13.929 13.411 1.699 1.00 0.00 C ATOM 0 H PHE A 55 9.216 10.657 -2.224 1.00 0.00 H new ATOM 0 HA PHE A 55 9.596 12.193 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.240 10.625 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.493 11.989 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.845 14.350 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.638 10.423 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.422 15.324 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.215 11.379 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.619 13.824 2.420 1.00 0.00 H new ATOM 884 N TYR A 56 9.608 13.898 -2.638 1.00 0.00 N ATOM 885 CA TYR A 56 9.472 15.314 -3.102 1.00 0.00 C ATOM 886 C TYR A 56 8.043 15.832 -2.813 1.00 0.00 C ATOM 887 O TYR A 56 7.868 16.987 -2.485 1.00 0.00 O ATOM 888 CB TYR A 56 9.790 15.434 -4.613 1.00 0.00 C ATOM 889 CG TYR A 56 8.572 15.109 -5.448 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.976 13.847 -5.367 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.038 16.081 -6.305 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.845 13.556 -6.141 1.00 0.00 C ATOM 893 CE2 TYR A 56 6.908 15.790 -7.078 1.00 0.00 C ATOM 894 CZ TYR A 56 6.312 14.527 -6.995 1.00 0.00 C ATOM 895 OH TYR A 56 5.197 14.239 -7.756 1.00 0.00 O ATOM 0 H TYR A 56 9.679 13.196 -3.374 1.00 0.00 H new ATOM 0 HA TYR A 56 10.190 15.925 -2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.131 16.445 -4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.605 14.758 -4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.387 13.097 -4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.499 17.056 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.384 12.581 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.497 16.540 -7.738 1.00 0.00 H new ATOM 0 HH TYR A 56 5.315 13.370 -8.193 1.00 0.00 H new ATOM 905 N SER A 57 7.009 15.010 -2.936 1.00 0.00 N ATOM 906 CA SER A 57 5.632 15.522 -2.668 1.00 0.00 C ATOM 907 C SER A 57 5.421 15.783 -1.170 1.00 0.00 C ATOM 908 O SER A 57 4.900 16.806 -0.777 1.00 0.00 O ATOM 909 CB SER A 57 4.611 14.488 -3.147 1.00 0.00 C ATOM 910 OG SER A 57 3.394 15.141 -3.475 1.00 0.00 O ATOM 0 H SER A 57 7.068 14.028 -3.206 1.00 0.00 H new ATOM 0 HA SER A 57 5.502 16.462 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.997 13.956 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.439 13.744 -2.369 1.00 0.00 H new ATOM 0 HG SER A 57 2.740 14.479 -3.783 1.00 0.00 H new ATOM 916 N HIS A 58 5.786 14.851 -0.335 1.00 0.00 N ATOM 917 CA HIS A 58 5.569 15.033 1.131 1.00 0.00 C ATOM 918 C HIS A 58 6.512 16.089 1.710 1.00 0.00 C ATOM 919 O HIS A 58 6.099 16.967 2.442 1.00 0.00 O ATOM 920 CB HIS A 58 5.813 13.700 1.841 1.00 0.00 C ATOM 921 CG HIS A 58 4.972 13.634 3.086 1.00 0.00 C ATOM 922 ND1 HIS A 58 5.507 13.821 4.350 1.00 0.00 N ATOM 923 CD2 HIS A 58 3.631 13.404 3.277 1.00 0.00 C ATOM 924 CE1 HIS A 58 4.502 13.701 5.238 1.00 0.00 C ATOM 925 NE2 HIS A 58 3.337 13.448 4.636 1.00 0.00 N ATOM 0 H HIS A 58 6.225 13.970 -0.602 1.00 0.00 H new ATOM 0 HA HIS A 58 4.544 15.370 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.565 12.872 1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.868 13.599 2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.914 13.217 2.491 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.623 13.798 6.307 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.427 13.316 5.078 1.00 0.00 H new ATOM 933 N HIS A 59 7.778 15.992 1.424 1.00 0.00 N ATOM 934 CA HIS A 59 8.751 16.961 1.995 1.00 0.00 C ATOM 935 C HIS A 59 8.587 18.351 1.375 1.00 0.00 C ATOM 936 O HIS A 59 8.876 19.342 2.015 1.00 0.00 O ATOM 937 CB HIS A 59 10.162 16.449 1.733 1.00 0.00 C ATOM 938 CG HIS A 59 10.706 15.808 2.978 1.00 0.00 C ATOM 939 ND1 HIS A 59 11.173 16.551 4.049 1.00 0.00 N ATOM 940 CD2 HIS A 59 10.863 14.492 3.335 1.00 0.00 C ATOM 941 CE1 HIS A 59 11.587 15.684 4.993 1.00 0.00 C ATOM 942 NE2 HIS A 59 11.421 14.415 4.607 1.00 0.00 N ATOM 0 H HIS A 59 8.183 15.280 0.816 1.00 0.00 H new ATOM 0 HA HIS A 59 8.568 17.050 3.066 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.152 15.728 0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.807 17.272 1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 59 11.199 17.569 4.112 1.00 0.00 H new ATOM 0 HD2 HIS A 59 10.594 13.645 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.002 15.978 5.946 1.00 0.00 H new ATOM 950 N GLU A 60 8.150 18.445 0.141 1.00 0.00 N ATOM 951 CA GLU A 60 7.997 19.796 -0.486 1.00 0.00 C ATOM 952 C GLU A 60 7.418 20.761 0.548 1.00 0.00 C ATOM 953 O GLU A 60 7.714 21.939 0.556 1.00 0.00 O ATOM 954 CB GLU A 60 7.069 19.719 -1.702 1.00 0.00 C ATOM 955 CG GLU A 60 5.691 19.217 -1.273 1.00 0.00 C ATOM 956 CD GLU A 60 4.696 20.379 -1.299 1.00 0.00 C ATOM 957 OE1 GLU A 60 5.098 21.484 -0.977 1.00 0.00 O ATOM 958 OE2 GLU A 60 3.549 20.143 -1.639 1.00 0.00 O ATOM 0 H GLU A 60 7.896 17.655 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 60 8.972 20.151 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.980 20.702 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.492 19.050 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.357 18.423 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.743 18.790 -0.271 1.00 0.00 H new ATOM 965 N LYS A 61 6.611 20.253 1.438 1.00 0.00 N ATOM 966 CA LYS A 61 6.024 21.121 2.501 1.00 0.00 C ATOM 967 C LYS A 61 5.811 20.281 3.763 1.00 0.00 C ATOM 968 O LYS A 61 4.898 19.482 3.833 1.00 0.00 O ATOM 969 CB LYS A 61 4.678 21.688 2.027 1.00 0.00 C ATOM 970 CG LYS A 61 3.854 20.576 1.371 1.00 0.00 C ATOM 971 CD LYS A 61 2.836 20.035 2.377 1.00 0.00 C ATOM 972 CE LYS A 61 1.420 20.346 1.887 1.00 0.00 C ATOM 973 NZ LYS A 61 0.431 19.614 2.730 1.00 0.00 N ATOM 0 H LYS A 61 6.331 19.273 1.476 1.00 0.00 H new ATOM 0 HA LYS A 61 6.701 21.948 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.132 22.109 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.843 22.499 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.341 20.960 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.510 19.773 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.963 18.959 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.001 20.486 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.234 21.419 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.312 20.052 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.532 19.825 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.605 18.591 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.529 19.915 3.721 1.00 0.00 H new ATOM 987 N ASP A 62 6.642 20.442 4.765 1.00 0.00 N ATOM 988 CA ASP A 62 6.455 19.629 6.002 1.00 0.00 C ATOM 989 C ASP A 62 7.446 20.063 7.079 1.00 0.00 C ATOM 990 O ASP A 62 7.755 19.317 7.987 1.00 0.00 O ATOM 991 CB ASP A 62 6.673 18.154 5.672 1.00 0.00 C ATOM 992 CG ASP A 62 5.634 17.306 6.408 1.00 0.00 C ATOM 993 OD1 ASP A 62 4.464 17.424 6.083 1.00 0.00 O ATOM 994 OD2 ASP A 62 6.026 16.554 7.284 1.00 0.00 O ATOM 0 H ASP A 62 7.429 21.091 4.779 1.00 0.00 H new ATOM 0 HA ASP A 62 5.443 19.780 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.591 17.995 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.678 17.850 5.964 1.00 0.00 H new ATOM 999 N THR A 63 7.939 21.262 6.979 1.00 0.00 N ATOM 1000 CA THR A 63 8.919 21.776 7.984 1.00 0.00 C ATOM 1001 C THR A 63 9.863 20.650 8.385 1.00 0.00 C ATOM 1002 O THR A 63 10.368 20.604 9.490 1.00 0.00 O ATOM 1003 CB THR A 63 8.173 22.289 9.217 1.00 0.00 C ATOM 1004 OG1 THR A 63 7.093 23.117 8.806 1.00 0.00 O ATOM 1005 CG2 THR A 63 9.131 23.096 10.096 1.00 0.00 C ATOM 0 H THR A 63 7.705 21.920 6.236 1.00 0.00 H new ATOM 0 HA THR A 63 9.492 22.595 7.549 1.00 0.00 H new ATOM 0 HB THR A 63 7.786 21.443 9.786 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.613 23.445 9.595 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.599 23.461 10.974 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.958 22.460 10.411 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.519 23.942 9.529 1.00 0.00 H new ATOM 1013 N ARG A 64 10.106 19.747 7.485 1.00 0.00 N ATOM 1014 CA ARG A 64 11.021 18.617 7.785 1.00 0.00 C ATOM 1015 C ARG A 64 12.240 18.733 6.879 1.00 0.00 C ATOM 1016 O ARG A 64 12.225 18.294 5.748 1.00 0.00 O ATOM 1017 CB ARG A 64 10.306 17.291 7.523 1.00 0.00 C ATOM 1018 CG ARG A 64 9.330 17.004 8.665 1.00 0.00 C ATOM 1019 CD ARG A 64 9.311 15.502 8.954 1.00 0.00 C ATOM 1020 NE ARG A 64 10.252 15.199 10.070 1.00 0.00 N ATOM 1021 CZ ARG A 64 10.822 14.028 10.141 1.00 0.00 C ATOM 1022 NH1 ARG A 64 10.106 12.966 10.392 1.00 0.00 N ATOM 1023 NH2 ARG A 64 12.111 13.918 9.962 1.00 0.00 N ATOM 0 H ARG A 64 9.707 19.742 6.546 1.00 0.00 H new ATOM 0 HA ARG A 64 11.327 18.649 8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.770 17.336 6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.033 16.483 7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.627 17.553 9.558 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.330 17.347 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.302 15.184 9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.597 14.945 8.062 1.00 0.00 H new ATOM 0 HE ARG A 64 10.450 15.907 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.099 13.051 10.533 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.553 12.051 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.671 14.748 9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.557 13.002 10.017 1.00 0.00 H new ATOM 1037 N CYS A 65 13.287 19.340 7.360 1.00 0.00 N ATOM 1038 CA CYS A 65 14.505 19.502 6.520 1.00 0.00 C ATOM 1039 C CYS A 65 14.182 20.432 5.345 1.00 0.00 C ATOM 1040 O CYS A 65 14.933 20.528 4.395 1.00 0.00 O ATOM 1041 CB CYS A 65 14.952 18.128 5.997 1.00 0.00 C ATOM 1042 SG CYS A 65 16.406 18.310 4.935 1.00 0.00 S ATOM 0 H CYS A 65 13.352 19.732 8.300 1.00 0.00 H new ATOM 0 HA CYS A 65 15.311 19.935 7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.184 17.469 6.834 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.140 17.661 5.439 1.00 0.00 H new ATOM 1047 N LEU A 66 13.074 21.129 5.398 1.00 0.00 N ATOM 1048 CA LEU A 66 12.735 22.047 4.276 1.00 0.00 C ATOM 1049 C LEU A 66 13.976 22.860 3.904 1.00 0.00 C ATOM 1050 O LEU A 66 14.125 23.304 2.783 1.00 0.00 O ATOM 1051 CB LEU A 66 11.611 22.998 4.700 1.00 0.00 C ATOM 1052 CG LEU A 66 10.522 23.036 3.617 1.00 0.00 C ATOM 1053 CD1 LEU A 66 9.677 24.298 3.792 1.00 0.00 C ATOM 1054 CD2 LEU A 66 11.164 23.050 2.227 1.00 0.00 C ATOM 0 H LEU A 66 12.399 21.101 6.162 1.00 0.00 H new ATOM 0 HA LEU A 66 12.402 21.463 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.183 22.670 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.011 23.999 4.861 1.00 0.00 H new ATOM 0 HG LEU A 66 9.893 22.151 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.903 24.327 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.211 24.290 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.314 25.178 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.384 23.077 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.798 23.931 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.768 22.152 2.096 1.00 0.00 H new ATOM 1066 N GLY A 67 14.872 23.054 4.835 1.00 0.00 N ATOM 1067 CA GLY A 67 16.103 23.832 4.526 1.00 0.00 C ATOM 1068 C GLY A 67 16.556 24.617 5.767 1.00 0.00 C ATOM 1069 O GLY A 67 17.723 24.628 6.104 1.00 0.00 O ATOM 0 H GLY A 67 14.804 22.708 5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.897 23.159 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.911 24.519 3.701 1.00 0.00 H new ATOM 1073 N ALA A 68 15.654 25.290 6.447 1.00 0.00 N ATOM 1074 CA ALA A 68 16.067 26.074 7.646 1.00 0.00 C ATOM 1075 C ALA A 68 16.773 27.355 7.188 1.00 0.00 C ATOM 1076 O ALA A 68 17.225 28.151 7.988 1.00 0.00 O ATOM 1077 CB ALA A 68 17.026 25.240 8.499 1.00 0.00 C ATOM 0 H ALA A 68 14.660 25.327 6.222 1.00 0.00 H new ATOM 0 HA ALA A 68 15.188 26.329 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.327 25.814 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.527 24.325 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.908 24.986 7.911 1.00 0.00 H new ATOM 1083 N THR A 69 16.866 27.556 5.901 1.00 0.00 N ATOM 1084 CA THR A 69 17.533 28.774 5.365 1.00 0.00 C ATOM 1085 C THR A 69 16.756 29.246 4.131 1.00 0.00 C ATOM 1086 O THR A 69 16.683 28.536 3.154 1.00 0.00 O ATOM 1087 CB THR A 69 18.964 28.417 4.950 1.00 0.00 C ATOM 1088 OG1 THR A 69 19.118 27.005 4.959 1.00 0.00 O ATOM 1089 CG2 THR A 69 19.954 29.044 5.931 1.00 0.00 C ATOM 0 H THR A 69 16.503 26.920 5.191 1.00 0.00 H new ATOM 0 HA THR A 69 17.555 29.559 6.121 1.00 0.00 H new ATOM 0 HB THR A 69 19.158 28.799 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 69 19.824 26.757 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.971 28.789 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 69 19.835 30.127 5.925 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.763 28.663 6.934 1.00 0.00 H new ATOM 1097 N ALA A 70 16.169 30.423 4.142 1.00 0.00 N ATOM 1098 CA ALA A 70 15.422 30.860 2.937 1.00 0.00 C ATOM 1099 C ALA A 70 16.306 30.626 1.714 1.00 0.00 C ATOM 1100 O ALA A 70 15.826 30.397 0.621 1.00 0.00 O ATOM 1101 CB ALA A 70 15.083 32.347 3.051 1.00 0.00 C ATOM 0 H ALA A 70 16.179 31.081 4.921 1.00 0.00 H new ATOM 0 HA ALA A 70 14.495 30.295 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.534 32.664 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 70 14.469 32.513 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 70 16.004 32.925 3.134 1.00 0.00 H new ATOM 1107 N GLN A 71 17.599 30.674 1.890 1.00 0.00 N ATOM 1108 CA GLN A 71 18.511 30.445 0.733 1.00 0.00 C ATOM 1109 C GLN A 71 18.456 28.974 0.322 1.00 0.00 C ATOM 1110 O GLN A 71 18.273 28.648 -0.833 1.00 0.00 O ATOM 1111 CB GLN A 71 19.943 30.815 1.127 1.00 0.00 C ATOM 1112 CG GLN A 71 20.057 32.334 1.269 1.00 0.00 C ATOM 1113 CD GLN A 71 20.612 32.928 -0.027 1.00 0.00 C ATOM 1114 OE1 GLN A 71 21.693 33.481 -0.043 1.00 0.00 O ATOM 1115 NE2 GLN A 71 19.911 32.837 -1.125 1.00 0.00 N ATOM 0 H GLN A 71 18.061 30.861 2.780 1.00 0.00 H new ATOM 0 HA GLN A 71 18.195 31.067 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.210 30.330 2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 71 20.643 30.456 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.080 32.764 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.710 32.584 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.003 32.373 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.272 33.230 -1.994 1.00 0.00 H new ATOM 1124 N GLN A 72 18.607 28.079 1.260 1.00 0.00 N ATOM 1125 CA GLN A 72 18.558 26.629 0.920 1.00 0.00 C ATOM 1126 C GLN A 72 17.203 26.308 0.288 1.00 0.00 C ATOM 1127 O GLN A 72 17.082 25.419 -0.530 1.00 0.00 O ATOM 1128 CB GLN A 72 18.743 25.796 2.190 1.00 0.00 C ATOM 1129 CG GLN A 72 20.125 26.072 2.784 1.00 0.00 C ATOM 1130 CD GLN A 72 21.199 25.453 1.887 1.00 0.00 C ATOM 1131 OE1 GLN A 72 20.935 25.115 0.751 1.00 0.00 O ATOM 1132 NE2 GLN A 72 22.406 25.289 2.354 1.00 0.00 N ATOM 0 H GLN A 72 18.762 28.289 2.246 1.00 0.00 H new ATOM 0 HA GLN A 72 19.356 26.391 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 72 17.968 26.042 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.639 24.736 1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 72 20.286 27.146 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 72 20.191 25.655 3.789 1.00 0.00 H new ATOM 0 HE21 GLN A 72 22.627 25.573 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 72 23.129 24.876 1.765 1.00 0.00 H new ATOM 1141 N PHE A 73 16.183 27.032 0.660 1.00 0.00 N ATOM 1142 CA PHE A 73 14.837 26.778 0.083 1.00 0.00 C ATOM 1143 C PHE A 73 14.925 26.868 -1.439 1.00 0.00 C ATOM 1144 O PHE A 73 14.320 26.091 -2.151 1.00 0.00 O ATOM 1145 CB PHE A 73 13.851 27.826 0.605 1.00 0.00 C ATOM 1146 CG PHE A 73 12.481 27.558 0.031 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.165 27.993 -1.262 1.00 0.00 C ATOM 1148 CD2 PHE A 73 11.524 26.878 0.794 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.893 27.745 -1.792 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.252 26.630 0.263 1.00 0.00 C ATOM 1151 CZ PHE A 73 9.936 27.063 -1.030 1.00 0.00 C ATOM 0 H PHE A 73 16.226 27.790 1.341 1.00 0.00 H new ATOM 0 HA PHE A 73 14.491 25.786 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.813 27.795 1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.185 28.826 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.902 28.520 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.767 26.545 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.650 28.080 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.515 26.104 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.955 26.871 -1.440 1.00 0.00 H new ATOM 1161 N HIS A 74 15.677 27.807 -1.946 1.00 0.00 N ATOM 1162 CA HIS A 74 15.799 27.930 -3.423 1.00 0.00 C ATOM 1163 C HIS A 74 16.276 26.606 -3.990 1.00 0.00 C ATOM 1164 O HIS A 74 15.839 26.152 -5.027 1.00 0.00 O ATOM 1165 CB HIS A 74 16.798 29.035 -3.768 1.00 0.00 C ATOM 1166 CG HIS A 74 16.284 29.829 -4.937 1.00 0.00 C ATOM 1167 ND1 HIS A 74 15.439 29.280 -5.888 1.00 0.00 N ATOM 1168 CD2 HIS A 74 16.485 31.132 -5.323 1.00 0.00 C ATOM 1169 CE1 HIS A 74 15.164 30.238 -6.790 1.00 0.00 C ATOM 1170 NE2 HIS A 74 15.777 31.388 -6.493 1.00 0.00 N ATOM 0 H HIS A 74 16.208 28.489 -1.404 1.00 0.00 H new ATOM 0 HA HIS A 74 14.831 28.184 -3.854 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.945 29.688 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.768 28.601 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.099 31.849 -4.798 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.526 30.096 -7.650 1.00 0.00 H new ATOM 0 HE2 HIS A 74 15.735 32.265 -7.012 1.00 0.00 H new ATOM 1178 N ARG A 75 17.159 25.993 -3.288 1.00 0.00 N ATOM 1179 CA ARG A 75 17.707 24.673 -3.717 1.00 0.00 C ATOM 1180 C ARG A 75 16.626 23.603 -3.563 1.00 0.00 C ATOM 1181 O ARG A 75 16.597 22.623 -4.277 1.00 0.00 O ATOM 1182 CB ARG A 75 18.913 24.313 -2.847 1.00 0.00 C ATOM 1183 CG ARG A 75 19.750 23.244 -3.553 1.00 0.00 C ATOM 1184 CD ARG A 75 21.052 23.868 -4.059 1.00 0.00 C ATOM 1185 NE ARG A 75 21.870 24.322 -2.898 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.080 24.770 -3.089 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.411 25.285 -4.242 1.00 0.00 N ATOM 1188 NH2 ARG A 75 23.960 24.705 -2.127 1.00 0.00 N ATOM 0 H ARG A 75 17.542 26.348 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 75 18.019 24.728 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.518 25.200 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.578 23.946 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.969 22.426 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.190 22.820 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.611 23.141 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.833 24.711 -4.715 1.00 0.00 H new ATOM 0 HE ARG A 75 21.484 24.282 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.723 25.337 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.357 25.635 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.701 24.304 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 75 24.906 25.055 -2.277 1.00 0.00 H new ATOM 1202 N HIS A 76 15.739 23.779 -2.626 1.00 0.00 N ATOM 1203 CA HIS A 76 14.660 22.762 -2.430 1.00 0.00 C ATOM 1204 C HIS A 76 13.692 22.831 -3.620 1.00 0.00 C ATOM 1205 O HIS A 76 13.161 21.833 -4.058 1.00 0.00 O ATOM 1206 CB HIS A 76 13.918 23.007 -1.084 1.00 0.00 C ATOM 1207 CG HIS A 76 12.419 23.007 -1.267 1.00 0.00 C ATOM 1208 ND1 HIS A 76 11.755 21.993 -1.943 1.00 0.00 N ATOM 1209 CD2 HIS A 76 11.447 23.894 -0.876 1.00 0.00 C ATOM 1210 CE1 HIS A 76 10.444 22.296 -1.941 1.00 0.00 C ATOM 1211 NE2 HIS A 76 10.201 23.444 -1.304 1.00 0.00 N ATOM 0 H HIS A 76 15.710 24.575 -1.989 1.00 0.00 H new ATOM 0 HA HIS A 76 15.096 21.764 -2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.198 22.234 -0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.234 23.961 -0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.622 24.803 -0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.681 21.685 -2.399 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.297 23.894 -1.162 1.00 0.00 H new ATOM 1219 N LYS A 77 13.452 24.004 -4.138 1.00 0.00 N ATOM 1220 CA LYS A 77 12.508 24.133 -5.286 1.00 0.00 C ATOM 1221 C LYS A 77 13.112 23.533 -6.565 1.00 0.00 C ATOM 1222 O LYS A 77 12.420 22.913 -7.347 1.00 0.00 O ATOM 1223 CB LYS A 77 12.183 25.612 -5.518 1.00 0.00 C ATOM 1224 CG LYS A 77 11.262 26.112 -4.404 1.00 0.00 C ATOM 1225 CD LYS A 77 9.888 26.442 -4.987 1.00 0.00 C ATOM 1226 CE LYS A 77 8.796 25.918 -4.050 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.958 24.920 -4.773 1.00 0.00 N ATOM 0 H LYS A 77 13.868 24.878 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 77 11.596 23.586 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.101 26.199 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.702 25.742 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.167 25.352 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.691 26.996 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.785 27.519 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.782 25.991 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.246 25.461 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.176 26.743 -3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.216 24.564 -4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.518 25.371 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.555 24.128 -5.087 1.00 0.00 H new ATOM 1241 N GLN A 78 14.382 23.726 -6.806 1.00 0.00 N ATOM 1242 CA GLN A 78 14.987 23.178 -8.061 1.00 0.00 C ATOM 1243 C GLN A 78 15.047 21.649 -8.023 1.00 0.00 C ATOM 1244 O GLN A 78 14.648 20.984 -8.954 1.00 0.00 O ATOM 1245 CB GLN A 78 16.412 23.714 -8.253 1.00 0.00 C ATOM 1246 CG GLN A 78 17.064 24.020 -6.905 1.00 0.00 C ATOM 1247 CD GLN A 78 18.569 24.217 -7.100 1.00 0.00 C ATOM 1248 OE1 GLN A 78 19.364 23.695 -6.343 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.996 24.952 -8.090 1.00 0.00 N ATOM 0 H GLN A 78 15.023 24.234 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 78 14.354 23.496 -8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 78 17.011 22.981 -8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.386 24.617 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.622 24.917 -6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.881 23.204 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.329 25.390 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.997 25.089 -8.229 1.00 0.00 H new ATOM 1258 N LEU A 79 15.568 21.088 -6.971 1.00 0.00 N ATOM 1259 CA LEU A 79 15.678 19.605 -6.891 1.00 0.00 C ATOM 1260 C LEU A 79 14.301 18.981 -6.732 1.00 0.00 C ATOM 1261 O LEU A 79 14.002 18.009 -7.371 1.00 0.00 O ATOM 1262 CB LEU A 79 16.563 19.212 -5.708 1.00 0.00 C ATOM 1263 CG LEU A 79 18.018 19.572 -6.018 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.449 20.751 -5.143 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.914 18.366 -5.727 1.00 0.00 C ATOM 0 H LEU A 79 15.924 21.593 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 79 16.127 19.238 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.234 19.728 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.475 18.143 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 79 18.109 19.847 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.485 21.008 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.810 21.610 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.359 20.476 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.951 18.621 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.824 18.091 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.607 17.526 -6.350 1.00 0.00 H new ATOM 1277 N ILE A 80 13.462 19.513 -5.894 1.00 0.00 N ATOM 1278 CA ILE A 80 12.103 18.912 -5.743 1.00 0.00 C ATOM 1279 C ILE A 80 11.314 19.130 -7.039 1.00 0.00 C ATOM 1280 O ILE A 80 10.470 18.334 -7.398 1.00 0.00 O ATOM 1281 CB ILE A 80 11.374 19.567 -4.567 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.932 18.985 -3.257 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.867 19.291 -4.674 1.00 0.00 C ATOM 1284 CD1 ILE A 80 10.883 19.057 -2.142 1.00 0.00 C ATOM 0 H ILE A 80 13.650 20.329 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 80 12.192 17.843 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 80 11.530 20.646 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.234 17.949 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.824 19.536 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.351 19.759 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.487 19.703 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.692 18.215 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.298 18.640 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.602 20.097 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.002 18.485 -2.434 1.00 0.00 H new ATOM 1296 N ARG A 81 11.587 20.191 -7.756 1.00 0.00 N ATOM 1297 CA ARG A 81 10.852 20.427 -9.031 1.00 0.00 C ATOM 1298 C ARG A 81 11.272 19.342 -10.009 1.00 0.00 C ATOM 1299 O ARG A 81 10.458 18.657 -10.594 1.00 0.00 O ATOM 1300 CB ARG A 81 11.234 21.791 -9.602 1.00 0.00 C ATOM 1301 CG ARG A 81 10.399 22.072 -10.853 1.00 0.00 C ATOM 1302 CD ARG A 81 9.056 22.678 -10.444 1.00 0.00 C ATOM 1303 NE ARG A 81 8.025 21.605 -10.386 1.00 0.00 N ATOM 1304 CZ ARG A 81 6.873 21.838 -9.819 1.00 0.00 C ATOM 1305 NH1 ARG A 81 6.813 22.558 -8.732 1.00 0.00 N ATOM 1306 NH2 ARG A 81 5.779 21.351 -10.340 1.00 0.00 N ATOM 0 H ARG A 81 12.282 20.898 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 81 9.776 20.405 -8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.066 22.569 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.296 21.810 -9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.933 22.756 -11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.239 21.150 -11.411 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.145 23.165 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.758 23.445 -11.159 1.00 0.00 H new ATOM 0 HE ARG A 81 8.219 20.688 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.667 22.939 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.912 22.740 -8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.825 20.789 -11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.878 21.533 -9.897 1.00 0.00 H new ATOM 1320 N PHE A 82 12.551 19.168 -10.157 1.00 0.00 N ATOM 1321 CA PHE A 82 13.067 18.125 -11.048 1.00 0.00 C ATOM 1322 C PHE A 82 12.698 16.770 -10.441 1.00 0.00 C ATOM 1323 O PHE A 82 12.491 15.802 -11.141 1.00 0.00 O ATOM 1324 CB PHE A 82 14.579 18.302 -11.144 1.00 0.00 C ATOM 1325 CG PHE A 82 14.902 19.269 -12.257 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.428 19.031 -13.553 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.676 20.406 -11.994 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.727 19.929 -14.584 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.975 21.304 -13.026 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.500 21.065 -14.320 1.00 0.00 C ATOM 0 H PHE A 82 13.266 19.720 -9.684 1.00 0.00 H new ATOM 0 HA PHE A 82 12.643 18.187 -12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.973 18.674 -10.198 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.057 17.341 -11.332 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.831 18.154 -13.757 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.042 20.590 -10.995 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.361 19.745 -15.583 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.572 22.181 -12.823 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.730 21.758 -15.116 1.00 0.00 H new ATOM 1340 N LEU A 83 12.587 16.704 -9.133 1.00 0.00 N ATOM 1341 CA LEU A 83 12.198 15.435 -8.476 1.00 0.00 C ATOM 1342 C LEU A 83 10.785 15.081 -8.912 1.00 0.00 C ATOM 1343 O LEU A 83 10.421 13.929 -9.051 1.00 0.00 O ATOM 1344 CB LEU A 83 12.261 15.660 -6.968 1.00 0.00 C ATOM 1345 CG LEU A 83 13.677 15.355 -6.484 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.778 15.574 -4.972 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.026 13.901 -6.795 1.00 0.00 C ATOM 0 H LEU A 83 12.752 17.485 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 83 12.862 14.615 -8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.994 16.689 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.542 15.017 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 83 14.370 16.023 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.792 15.353 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.537 16.611 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.077 14.914 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.037 13.687 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.322 13.241 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.969 13.735 -7.871 1.00 0.00 H new ATOM 1359 N LYS A 84 10.001 16.083 -9.153 1.00 0.00 N ATOM 1360 CA LYS A 84 8.604 15.863 -9.616 1.00 0.00 C ATOM 1361 C LYS A 84 8.639 15.335 -11.048 1.00 0.00 C ATOM 1362 O LYS A 84 8.002 14.352 -11.371 1.00 0.00 O ATOM 1363 CB LYS A 84 7.832 17.183 -9.573 1.00 0.00 C ATOM 1364 CG LYS A 84 6.394 16.948 -10.040 1.00 0.00 C ATOM 1365 CD LYS A 84 5.564 18.211 -9.798 1.00 0.00 C ATOM 1366 CE LYS A 84 4.082 17.841 -9.721 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.339 18.540 -10.807 1.00 0.00 N ATOM 0 H LYS A 84 10.268 17.062 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 84 8.108 15.142 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.836 17.586 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.317 17.921 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.382 16.690 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.959 16.106 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.878 18.693 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.730 18.927 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.960 16.762 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.676 18.121 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.331 18.289 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.446 19.568 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.721 18.251 -11.730 1.00 0.00 H new ATOM 1381 N ARG A 85 9.389 15.969 -11.910 1.00 0.00 N ATOM 1382 CA ARG A 85 9.466 15.477 -13.311 1.00 0.00 C ATOM 1383 C ARG A 85 9.904 14.022 -13.267 1.00 0.00 C ATOM 1384 O ARG A 85 9.473 13.195 -14.046 1.00 0.00 O ATOM 1385 CB ARG A 85 10.483 16.302 -14.101 1.00 0.00 C ATOM 1386 CG ARG A 85 10.045 17.768 -14.122 1.00 0.00 C ATOM 1387 CD ARG A 85 10.941 18.555 -15.078 1.00 0.00 C ATOM 1388 NE ARG A 85 10.227 18.766 -16.369 1.00 0.00 N ATOM 1389 CZ ARG A 85 9.199 19.570 -16.422 1.00 0.00 C ATOM 1390 NH1 ARG A 85 9.379 20.845 -16.634 1.00 0.00 N ATOM 1391 NH2 ARG A 85 7.993 19.099 -16.263 1.00 0.00 N ATOM 0 H ARG A 85 9.946 16.799 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 85 8.496 15.570 -13.800 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.470 16.213 -13.648 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.564 15.921 -15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.004 17.843 -14.437 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.105 18.191 -13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.207 19.515 -14.636 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.872 18.014 -15.249 1.00 0.00 H new ATOM 0 HE ARG A 85 10.541 18.283 -17.211 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.322 21.213 -16.758 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.577 21.473 -16.676 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.852 18.102 -16.097 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.191 19.727 -16.304 1.00 0.00 H new ATOM 1405 N LEU A 86 10.754 13.717 -12.341 1.00 0.00 N ATOM 1406 CA LEU A 86 11.245 12.320 -12.193 1.00 0.00 C ATOM 1407 C LEU A 86 10.099 11.418 -11.716 1.00 0.00 C ATOM 1408 O LEU A 86 10.036 10.257 -12.059 1.00 0.00 O ATOM 1409 CB LEU A 86 12.379 12.285 -11.167 1.00 0.00 C ATOM 1410 CG LEU A 86 13.483 11.348 -11.662 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.947 11.796 -13.050 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.665 11.393 -10.691 1.00 0.00 C ATOM 0 H LEU A 86 11.138 14.381 -11.668 1.00 0.00 H new ATOM 0 HA LEU A 86 11.611 11.962 -13.155 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.779 13.288 -11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.002 11.943 -10.203 1.00 0.00 H new ATOM 0 HG LEU A 86 13.097 10.330 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 86 14.733 11.129 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.106 11.764 -13.743 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.333 12.814 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.451 10.726 -11.044 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.051 12.411 -10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.336 11.075 -9.702 1.00 0.00 H new ATOM 1424 N ASP A 87 9.203 11.932 -10.914 1.00 0.00 N ATOM 1425 CA ASP A 87 8.082 11.094 -10.414 1.00 0.00 C ATOM 1426 C ASP A 87 7.092 10.774 -11.545 1.00 0.00 C ATOM 1427 O ASP A 87 6.720 9.636 -11.744 1.00 0.00 O ATOM 1428 CB ASP A 87 7.359 11.858 -9.302 1.00 0.00 C ATOM 1429 CG ASP A 87 6.117 11.079 -8.870 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.022 9.914 -9.216 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.279 11.663 -8.202 1.00 0.00 O ATOM 0 H ASP A 87 9.202 12.898 -10.585 1.00 0.00 H new ATOM 0 HA ASP A 87 8.481 10.154 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.026 12.000 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.075 12.850 -9.654 1.00 0.00 H new ATOM 1436 N ARG A 88 6.651 11.764 -12.274 1.00 0.00 N ATOM 1437 CA ARG A 88 5.669 11.510 -13.371 1.00 0.00 C ATOM 1438 C ARG A 88 6.325 10.709 -14.502 1.00 0.00 C ATOM 1439 O ARG A 88 5.712 9.852 -15.108 1.00 0.00 O ATOM 1440 CB ARG A 88 5.183 12.850 -13.928 1.00 0.00 C ATOM 1441 CG ARG A 88 4.259 13.522 -12.908 1.00 0.00 C ATOM 1442 CD ARG A 88 3.274 14.437 -13.638 1.00 0.00 C ATOM 1443 NE ARG A 88 3.957 15.078 -14.796 1.00 0.00 N ATOM 1444 CZ ARG A 88 4.282 16.341 -14.746 1.00 0.00 C ATOM 1445 NH1 ARG A 88 5.277 16.728 -13.995 1.00 0.00 N ATOM 1446 NH2 ARG A 88 3.612 17.216 -15.446 1.00 0.00 N ATOM 0 H ARG A 88 6.928 12.739 -12.158 1.00 0.00 H new ATOM 0 HA ARG A 88 4.831 10.939 -12.970 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.034 13.496 -14.145 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.653 12.695 -14.868 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.717 12.767 -12.339 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.846 14.099 -12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.414 13.863 -13.982 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.896 15.200 -12.957 1.00 0.00 H new ATOM 0 HE ARG A 88 4.171 14.529 -15.629 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.799 16.044 -13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.532 17.715 -13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.834 16.913 -16.032 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.866 18.203 -15.407 1.00 0.00 H new ATOM 1460 N ASN A 89 7.560 10.995 -14.798 1.00 0.00 N ATOM 1461 CA ASN A 89 8.261 10.264 -15.912 1.00 0.00 C ATOM 1462 C ASN A 89 8.557 8.820 -15.499 1.00 0.00 C ATOM 1463 O ASN A 89 8.337 7.895 -16.253 1.00 0.00 O ATOM 1464 CB ASN A 89 9.574 10.998 -16.299 1.00 0.00 C ATOM 1465 CG ASN A 89 10.783 10.052 -16.231 1.00 0.00 C ATOM 1466 OD1 ASN A 89 10.897 9.135 -17.018 1.00 0.00 O ATOM 1467 ND2 ASN A 89 11.689 10.240 -15.312 1.00 0.00 N ATOM 0 H ASN A 89 8.122 11.701 -14.323 1.00 0.00 H new ATOM 0 HA ASN A 89 7.605 10.247 -16.782 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.483 11.404 -17.307 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.732 11.843 -15.628 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.494 9.616 -15.254 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.593 11.011 -14.651 1.00 0.00 H new ATOM 1474 N LEU A 90 9.087 8.626 -14.329 1.00 0.00 N ATOM 1475 CA LEU A 90 9.424 7.241 -13.894 1.00 0.00 C ATOM 1476 C LEU A 90 8.203 6.337 -14.067 1.00 0.00 C ATOM 1477 O LEU A 90 8.286 5.277 -14.653 1.00 0.00 O ATOM 1478 CB LEU A 90 9.855 7.260 -12.429 1.00 0.00 C ATOM 1479 CG LEU A 90 11.371 7.457 -12.348 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.818 7.388 -10.887 1.00 0.00 C ATOM 1481 CD2 LEU A 90 12.073 6.357 -13.146 1.00 0.00 C ATOM 0 H LEU A 90 9.302 9.361 -13.655 1.00 0.00 H new ATOM 0 HA LEU A 90 10.241 6.855 -14.504 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.344 8.063 -11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.572 6.326 -11.943 1.00 0.00 H new ATOM 0 HG LEU A 90 11.632 8.431 -12.763 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.897 7.528 -10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.319 8.172 -10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.556 6.415 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.152 6.498 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.811 5.383 -12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.756 6.405 -14.188 1.00 0.00 H new ATOM 1493 N TRP A 91 7.067 6.746 -13.572 1.00 0.00 N ATOM 1494 CA TRP A 91 5.850 5.913 -13.721 1.00 0.00 C ATOM 1495 C TRP A 91 5.690 5.523 -15.193 1.00 0.00 C ATOM 1496 O TRP A 91 5.245 4.438 -15.509 1.00 0.00 O ATOM 1497 CB TRP A 91 4.639 6.716 -13.241 1.00 0.00 C ATOM 1498 CG TRP A 91 4.654 6.783 -11.757 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.731 7.920 -11.050 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.587 5.694 -10.791 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.722 7.609 -9.700 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.632 6.246 -9.492 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.493 4.296 -10.917 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.585 5.441 -8.353 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.444 3.482 -9.773 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.491 4.054 -8.494 1.00 0.00 C ATOM 0 H TRP A 91 6.933 7.624 -13.070 1.00 0.00 H new ATOM 0 HA TRP A 91 5.932 5.005 -13.124 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.664 7.721 -13.663 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.717 6.248 -13.586 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.790 8.915 -11.465 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.775 8.301 -8.952 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.458 3.846 -11.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.621 5.887 -7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.370 2.410 -9.879 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.455 3.423 -7.618 1.00 0.00 H new ATOM 1517 N GLY A 92 6.067 6.389 -16.100 1.00 0.00 N ATOM 1518 CA GLY A 92 5.953 6.044 -17.544 1.00 0.00 C ATOM 1519 C GLY A 92 6.985 4.967 -17.883 1.00 0.00 C ATOM 1520 O GLY A 92 6.708 4.020 -18.591 1.00 0.00 O ATOM 0 H GLY A 92 6.447 7.315 -15.901 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.948 5.686 -17.767 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.119 6.930 -18.157 1.00 0.00 H new ATOM 1524 N LEU A 93 8.179 5.118 -17.379 1.00 0.00 N ATOM 1525 CA LEU A 93 9.254 4.137 -17.654 1.00 0.00 C ATOM 1526 C LEU A 93 8.827 2.734 -17.182 1.00 0.00 C ATOM 1527 O LEU A 93 9.117 1.745 -17.825 1.00 0.00 O ATOM 1528 CB LEU A 93 10.505 4.597 -16.907 1.00 0.00 C ATOM 1529 CG LEU A 93 11.783 4.181 -17.651 1.00 0.00 C ATOM 1530 CD1 LEU A 93 11.564 2.907 -18.477 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.215 5.327 -18.571 1.00 0.00 C ATOM 0 H LEU A 93 8.455 5.895 -16.778 1.00 0.00 H new ATOM 0 HA LEU A 93 9.455 4.079 -18.724 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.485 5.681 -16.792 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.510 4.170 -15.904 1.00 0.00 H new ATOM 0 HG LEU A 93 12.560 3.970 -16.916 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.489 2.642 -18.990 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.269 2.092 -17.817 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.778 3.081 -19.212 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.122 5.043 -19.105 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.422 5.536 -19.289 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.409 6.219 -17.975 1.00 0.00 H new ATOM 1543 N ALA A 94 8.134 2.633 -16.073 1.00 0.00 N ATOM 1544 CA ALA A 94 7.700 1.292 -15.587 1.00 0.00 C ATOM 1545 C ALA A 94 6.450 0.849 -16.352 1.00 0.00 C ATOM 1546 O ALA A 94 6.469 -0.128 -17.075 1.00 0.00 O ATOM 1547 CB ALA A 94 7.379 1.371 -14.093 1.00 0.00 C ATOM 0 H ALA A 94 7.853 3.420 -15.488 1.00 0.00 H new ATOM 0 HA ALA A 94 8.501 0.571 -15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.062 0.391 -13.737 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.268 1.686 -13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.579 2.093 -13.930 1.00 0.00 H new ATOM 1553 N GLY A 95 5.366 1.562 -16.209 1.00 0.00 N ATOM 1554 CA GLY A 95 4.122 1.182 -16.938 1.00 0.00 C ATOM 1555 C GLY A 95 3.042 0.706 -15.954 1.00 0.00 C ATOM 1556 O GLY A 95 1.877 0.648 -16.292 1.00 0.00 O ATOM 0 H GLY A 95 5.288 2.391 -15.619 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.753 2.035 -17.507 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.342 0.391 -17.656 1.00 0.00 H new ATOM 1560 N LEU A 96 3.407 0.362 -14.745 1.00 0.00 N ATOM 1561 CA LEU A 96 2.386 -0.106 -13.771 1.00 0.00 C ATOM 1562 C LEU A 96 2.223 0.938 -12.662 1.00 0.00 C ATOM 1563 O LEU A 96 3.039 1.824 -12.505 1.00 0.00 O ATOM 1564 CB LEU A 96 2.848 -1.424 -13.155 1.00 0.00 C ATOM 1565 CG LEU A 96 1.632 -2.298 -12.838 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.086 -2.902 -14.132 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.047 -3.422 -11.886 1.00 0.00 C ATOM 0 H LEU A 96 4.365 0.386 -14.395 1.00 0.00 H new ATOM 0 HA LEU A 96 1.433 -0.249 -14.281 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.513 -1.945 -13.843 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.417 -1.232 -12.246 1.00 0.00 H new ATOM 0 HG LEU A 96 0.860 -1.689 -12.368 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.220 -3.524 -13.906 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.791 -2.102 -14.811 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.857 -3.511 -14.603 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.182 -4.045 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.819 -4.031 -12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.436 -2.992 -10.963 1.00 0.00 H new ATOM 1579 N ASN A 97 1.173 0.836 -11.893 1.00 0.00 N ATOM 1580 CA ASN A 97 0.950 1.821 -10.792 1.00 0.00 C ATOM 1581 C ASN A 97 0.365 1.103 -9.572 1.00 0.00 C ATOM 1582 O ASN A 97 -0.476 1.631 -8.873 1.00 0.00 O ATOM 1583 CB ASN A 97 -0.026 2.901 -11.264 1.00 0.00 C ATOM 1584 CG ASN A 97 0.215 4.187 -10.473 1.00 0.00 C ATOM 1585 OD1 ASN A 97 -0.675 4.683 -9.811 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.391 4.753 -10.511 1.00 0.00 N ATOM 0 H ASN A 97 0.459 0.113 -11.978 1.00 0.00 H new ATOM 0 HA ASN A 97 1.900 2.282 -10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.108 3.086 -12.330 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.053 2.563 -11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.562 5.610 -9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.139 4.338 -11.066 1.00 0.00 H new ATOM 1593 N SER A 98 0.809 -0.096 -9.310 1.00 0.00 N ATOM 1594 CA SER A 98 0.285 -0.852 -8.136 1.00 0.00 C ATOM 1595 C SER A 98 1.396 -1.759 -7.602 1.00 0.00 C ATOM 1596 O SER A 98 1.326 -2.968 -7.703 1.00 0.00 O ATOM 1597 CB SER A 98 -0.909 -1.705 -8.566 1.00 0.00 C ATOM 1598 OG SER A 98 -1.797 -1.864 -7.471 1.00 0.00 O ATOM 0 H SER A 98 1.514 -0.586 -9.860 1.00 0.00 H new ATOM 0 HA SER A 98 -0.035 -0.157 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.426 -1.232 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.566 -2.679 -8.914 1.00 0.00 H new ATOM 0 HG SER A 98 -2.563 -2.409 -7.747 1.00 0.00 H new ATOM 1604 N CYS A 99 2.431 -1.183 -7.055 1.00 0.00 N ATOM 1605 CA CYS A 99 3.561 -2.007 -6.536 1.00 0.00 C ATOM 1606 C CYS A 99 3.830 -1.676 -5.063 1.00 0.00 C ATOM 1607 O CYS A 99 4.880 -1.163 -4.733 1.00 0.00 O ATOM 1608 CB CYS A 99 4.821 -1.704 -7.356 1.00 0.00 C ATOM 1609 SG CYS A 99 4.814 0.032 -7.876 1.00 0.00 S ATOM 0 H CYS A 99 2.544 -0.175 -6.945 1.00 0.00 H new ATOM 0 HA CYS A 99 3.299 -3.062 -6.621 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.711 -1.911 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 99 4.862 -2.354 -8.230 1.00 0.00 H new ATOM 1614 N PRO A 100 2.881 -1.993 -4.220 1.00 0.00 N ATOM 1615 CA PRO A 100 2.990 -1.756 -2.746 1.00 0.00 C ATOM 1616 C PRO A 100 3.895 -2.813 -2.102 1.00 0.00 C ATOM 1617 O PRO A 100 3.570 -3.984 -2.073 1.00 0.00 O ATOM 1618 CB PRO A 100 1.554 -1.903 -2.264 1.00 0.00 C ATOM 1619 CG PRO A 100 0.830 -2.769 -3.288 1.00 0.00 C ATOM 1620 CD PRO A 100 1.579 -2.626 -4.616 1.00 0.00 C ATOM 0 HA PRO A 100 3.426 -0.790 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.523 -2.365 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.075 -0.928 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.813 -3.810 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.207 -2.451 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 100 1.733 -3.593 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.029 -2.004 -5.322 1.00 0.00 H new ATOM 1628 N VAL A 101 5.027 -2.412 -1.591 1.00 0.00 N ATOM 1629 CA VAL A 101 5.946 -3.400 -0.954 1.00 0.00 C ATOM 1630 C VAL A 101 6.470 -2.839 0.371 1.00 0.00 C ATOM 1631 O VAL A 101 5.801 -2.079 1.041 1.00 0.00 O ATOM 1632 CB VAL A 101 7.123 -3.679 -1.892 1.00 0.00 C ATOM 1633 CG1 VAL A 101 6.597 -3.957 -3.301 1.00 0.00 C ATOM 1634 CG2 VAL A 101 8.049 -2.462 -1.923 1.00 0.00 C ATOM 0 H VAL A 101 5.355 -1.446 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 101 5.404 -4.326 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 101 7.676 -4.547 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.435 -4.156 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.937 -4.824 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.044 -3.089 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.888 -2.660 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.497 -1.593 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.424 -2.264 -0.919 1.00 0.00 H new ATOM 1644 N LYS A 102 7.664 -3.209 0.752 1.00 0.00 N ATOM 1645 CA LYS A 102 8.235 -2.701 2.031 1.00 0.00 C ATOM 1646 C LYS A 102 9.702 -3.119 2.133 1.00 0.00 C ATOM 1647 O LYS A 102 10.049 -4.045 2.839 1.00 0.00 O ATOM 1648 CB LYS A 102 7.457 -3.284 3.212 1.00 0.00 C ATOM 1649 CG LYS A 102 6.273 -2.375 3.546 1.00 0.00 C ATOM 1650 CD LYS A 102 6.232 -2.122 5.054 1.00 0.00 C ATOM 1651 CE LYS A 102 5.112 -2.957 5.682 1.00 0.00 C ATOM 1652 NZ LYS A 102 5.339 -3.068 7.151 1.00 0.00 N ATOM 0 H LYS A 102 8.269 -3.843 0.230 1.00 0.00 H new ATOM 0 HA LYS A 102 8.161 -1.614 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.102 -4.285 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.111 -3.380 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.364 -1.430 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.342 -2.838 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.190 -2.383 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.065 -1.063 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.145 -2.493 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.087 -3.949 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.579 -3.635 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.255 -3.528 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.342 -2.118 7.575 1.00 0.00 H new ATOM 1666 N GLU A 103 10.562 -2.440 1.430 1.00 0.00 N ATOM 1667 CA GLU A 103 12.009 -2.787 1.477 1.00 0.00 C ATOM 1668 C GLU A 103 12.603 -2.312 2.801 1.00 0.00 C ATOM 1669 O GLU A 103 13.134 -1.225 2.905 1.00 0.00 O ATOM 1670 CB GLU A 103 12.738 -2.110 0.314 1.00 0.00 C ATOM 1671 CG GLU A 103 14.250 -2.211 0.533 1.00 0.00 C ATOM 1672 CD GLU A 103 14.901 -2.851 -0.694 1.00 0.00 C ATOM 1673 OE1 GLU A 103 14.205 -3.546 -1.415 1.00 0.00 O ATOM 1674 OE2 GLU A 103 16.086 -2.633 -0.892 1.00 0.00 O ATOM 0 H GLU A 103 10.325 -1.656 0.822 1.00 0.00 H new ATOM 0 HA GLU A 103 12.126 -3.868 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.463 -2.585 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.439 -1.064 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.670 -1.220 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.461 -2.806 1.422 1.00 0.00 H new ATOM 1681 N ALA A 104 12.509 -3.123 3.812 1.00 0.00 N ATOM 1682 CA ALA A 104 13.060 -2.737 5.143 1.00 0.00 C ATOM 1683 C ALA A 104 14.425 -2.066 4.963 1.00 0.00 C ATOM 1684 O ALA A 104 14.675 -1.002 5.493 1.00 0.00 O ATOM 1685 CB ALA A 104 13.218 -3.986 6.011 1.00 0.00 C ATOM 0 H ALA A 104 12.072 -4.044 3.777 1.00 0.00 H new ATOM 0 HA ALA A 104 12.376 -2.040 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.621 -3.704 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.246 -4.462 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.900 -4.683 5.524 1.00 0.00 H new ATOM 1691 N ASN A 105 15.311 -2.680 4.225 1.00 0.00 N ATOM 1692 CA ASN A 105 16.659 -2.075 4.017 1.00 0.00 C ATOM 1693 C ASN A 105 16.509 -0.576 3.750 1.00 0.00 C ATOM 1694 O ASN A 105 15.439 -0.100 3.428 1.00 0.00 O ATOM 1695 CB ASN A 105 17.340 -2.742 2.820 1.00 0.00 C ATOM 1696 CG ASN A 105 18.790 -2.258 2.726 1.00 0.00 C ATOM 1697 OD1 ASN A 105 19.487 -2.195 3.718 1.00 0.00 O ATOM 1698 ND2 ASN A 105 19.275 -1.914 1.565 1.00 0.00 N ATOM 0 H ASN A 105 15.160 -3.574 3.757 1.00 0.00 H new ATOM 0 HA ASN A 105 17.266 -2.226 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.313 -3.826 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.804 -2.501 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.240 -1.592 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.689 -1.967 0.732 1.00 0.00 H new ATOM 1705 N GLN A 106 17.570 0.173 3.882 1.00 0.00 N ATOM 1706 CA GLN A 106 17.475 1.639 3.637 1.00 0.00 C ATOM 1707 C GLN A 106 18.751 2.139 2.961 1.00 0.00 C ATOM 1708 O GLN A 106 19.795 1.523 3.050 1.00 0.00 O ATOM 1709 CB GLN A 106 17.285 2.367 4.969 1.00 0.00 C ATOM 1710 CG GLN A 106 16.232 1.637 5.805 1.00 0.00 C ATOM 1711 CD GLN A 106 16.027 2.374 7.129 1.00 0.00 C ATOM 1712 OE1 GLN A 106 15.960 1.761 8.175 1.00 0.00 O ATOM 1713 NE2 GLN A 106 15.925 3.675 7.127 1.00 0.00 N ATOM 0 H GLN A 106 18.495 -0.166 4.148 1.00 0.00 H new ATOM 0 HA GLN A 106 16.624 1.838 2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.230 2.408 5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.974 3.397 4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 106 15.291 1.584 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 106 16.550 0.611 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 106 15.981 4.190 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 106 15.789 4.177 8.004 1.00 0.00 H new ATOM 1722 N SER A 107 18.679 3.258 2.289 1.00 0.00 N ATOM 1723 CA SER A 107 19.886 3.800 1.613 1.00 0.00 C ATOM 1724 C SER A 107 19.751 5.318 1.539 1.00 0.00 C ATOM 1725 O SER A 107 18.870 5.893 2.142 1.00 0.00 O ATOM 1726 CB SER A 107 19.987 3.217 0.203 1.00 0.00 C ATOM 1727 OG SER A 107 21.352 3.137 -0.180 1.00 0.00 O ATOM 0 H SER A 107 17.833 3.818 2.181 1.00 0.00 H new ATOM 0 HA SER A 107 20.785 3.532 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 107 19.532 2.227 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.437 3.842 -0.501 1.00 0.00 H new ATOM 0 HG SER A 107 21.471 2.399 -0.814 1.00 0.00 H new ATOM 1733 N THR A 108 20.606 5.980 0.812 1.00 0.00 N ATOM 1734 CA THR A 108 20.499 7.459 0.716 1.00 0.00 C ATOM 1735 C THR A 108 20.069 7.847 -0.703 1.00 0.00 C ATOM 1736 O THR A 108 20.424 7.197 -1.665 1.00 0.00 O ATOM 1737 CB THR A 108 21.862 8.084 1.021 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.891 7.173 0.661 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.957 8.402 2.514 1.00 0.00 C ATOM 0 H THR A 108 21.371 5.562 0.283 1.00 0.00 H new ATOM 0 HA THR A 108 19.761 7.820 1.432 1.00 0.00 H new ATOM 0 HB THR A 108 21.976 9.005 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.764 7.573 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.928 8.847 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.168 9.102 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.843 7.483 3.090 1.00 0.00 H new ATOM 1747 N LEU A 109 19.321 8.907 -0.845 1.00 0.00 N ATOM 1748 CA LEU A 109 18.895 9.333 -2.217 1.00 0.00 C ATOM 1749 C LEU A 109 20.136 9.335 -3.100 1.00 0.00 C ATOM 1750 O LEU A 109 20.079 8.984 -4.251 1.00 0.00 O ATOM 1751 CB LEU A 109 18.324 10.757 -2.141 1.00 0.00 C ATOM 1752 CG LEU A 109 17.855 11.315 -3.517 1.00 0.00 C ATOM 1753 CD1 LEU A 109 19.026 11.428 -4.476 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.780 10.452 -4.180 1.00 0.00 C ATOM 0 H LEU A 109 18.987 9.494 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 109 18.136 8.661 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.482 10.765 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.083 11.422 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 109 17.427 12.295 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.677 11.820 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.774 12.102 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 109 19.469 10.444 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 109 16.496 10.894 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 109 17.171 9.448 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.906 10.397 -3.531 1.00 0.00 H new ATOM 1766 N GLU A 110 21.263 9.730 -2.568 1.00 0.00 N ATOM 1767 CA GLU A 110 22.502 9.748 -3.392 1.00 0.00 C ATOM 1768 C GLU A 110 22.649 8.399 -4.091 1.00 0.00 C ATOM 1769 O GLU A 110 22.851 8.327 -5.287 1.00 0.00 O ATOM 1770 CB GLU A 110 23.713 9.992 -2.490 1.00 0.00 C ATOM 1771 CG GLU A 110 24.979 10.073 -3.348 1.00 0.00 C ATOM 1772 CD GLU A 110 25.459 8.659 -3.684 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.255 7.777 -2.868 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.020 8.485 -4.753 1.00 0.00 O ATOM 0 H GLU A 110 21.377 10.039 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 110 22.442 10.545 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.581 10.917 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.805 9.187 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.775 10.627 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.759 10.616 -2.814 1.00 0.00 H new ATOM 1781 N ASN A 111 22.535 7.328 -3.356 1.00 0.00 N ATOM 1782 CA ASN A 111 22.657 5.985 -3.982 1.00 0.00 C ATOM 1783 C ASN A 111 21.462 5.752 -4.903 1.00 0.00 C ATOM 1784 O ASN A 111 21.564 5.058 -5.877 1.00 0.00 O ATOM 1785 CB ASN A 111 22.696 4.905 -2.900 1.00 0.00 C ATOM 1786 CG ASN A 111 22.895 3.536 -3.552 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.953 3.249 -4.079 1.00 0.00 O ATOM 1788 ND2 ASN A 111 21.916 2.673 -3.542 1.00 0.00 N ATOM 0 H ASN A 111 22.363 7.326 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 111 23.580 5.936 -4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.506 5.107 -2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.769 4.915 -2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.038 1.758 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 111 21.029 2.913 -3.100 1.00 0.00 H new ATOM 1795 N PHE A 112 20.330 6.328 -4.619 1.00 0.00 N ATOM 1796 CA PHE A 112 19.165 6.132 -5.525 1.00 0.00 C ATOM 1797 C PHE A 112 19.483 6.776 -6.869 1.00 0.00 C ATOM 1798 O PHE A 112 19.112 6.288 -7.907 1.00 0.00 O ATOM 1799 CB PHE A 112 17.974 6.867 -4.925 1.00 0.00 C ATOM 1800 CG PHE A 112 16.699 6.536 -5.668 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.486 7.054 -6.954 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.724 5.727 -5.073 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.304 6.759 -7.641 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.541 5.432 -5.762 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.332 5.948 -7.047 1.00 0.00 C ATOM 0 H PHE A 112 20.160 6.921 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 112 18.951 5.070 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.867 6.596 -3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 112 18.151 7.942 -4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 112 17.235 7.681 -7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.884 5.330 -4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.142 7.158 -8.631 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.790 4.807 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.420 5.720 -7.579 1.00 0.00 H new ATOM 1815 N LEU A 113 20.153 7.887 -6.851 1.00 0.00 N ATOM 1816 CA LEU A 113 20.497 8.568 -8.110 1.00 0.00 C ATOM 1817 C LEU A 113 21.602 7.770 -8.830 1.00 0.00 C ATOM 1818 O LEU A 113 21.627 7.689 -10.040 1.00 0.00 O ATOM 1819 CB LEU A 113 20.948 10.003 -7.796 1.00 0.00 C ATOM 1820 CG LEU A 113 20.048 10.993 -8.533 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.688 12.382 -8.492 1.00 0.00 C ATOM 1822 CD2 LEU A 113 19.874 10.556 -9.990 1.00 0.00 C ATOM 0 H LEU A 113 20.479 8.354 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 113 19.631 8.620 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 113 20.902 10.183 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.986 10.144 -8.098 1.00 0.00 H new ATOM 0 HG LEU A 113 19.071 11.021 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 113 20.049 13.092 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.807 12.698 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 113 21.665 12.347 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 113 19.231 11.267 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.848 10.524 -10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 113 19.419 9.566 -10.021 1.00 0.00 H new ATOM 1834 N GLU A 114 22.514 7.169 -8.093 1.00 0.00 N ATOM 1835 CA GLU A 114 23.598 6.365 -8.725 1.00 0.00 C ATOM 1836 C GLU A 114 23.001 5.073 -9.286 1.00 0.00 C ATOM 1837 O GLU A 114 23.205 4.703 -10.424 1.00 0.00 O ATOM 1838 CB GLU A 114 24.617 6.016 -7.644 1.00 0.00 C ATOM 1839 CG GLU A 114 26.027 6.359 -8.117 1.00 0.00 C ATOM 1840 CD GLU A 114 26.233 5.852 -9.546 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.979 4.682 -9.779 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.639 6.641 -10.381 1.00 0.00 O ATOM 0 H GLU A 114 22.547 7.206 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 114 24.071 6.926 -9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.389 6.563 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.554 4.955 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.181 7.437 -8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.763 5.908 -7.452 1.00 0.00 H new ATOM 1849 N ARG A 115 22.261 4.396 -8.457 1.00 0.00 N ATOM 1850 CA ARG A 115 21.604 3.115 -8.833 1.00 0.00 C ATOM 1851 C ARG A 115 20.585 3.371 -9.936 1.00 0.00 C ATOM 1852 O ARG A 115 20.574 2.723 -10.963 1.00 0.00 O ATOM 1853 CB ARG A 115 20.876 2.583 -7.590 1.00 0.00 C ATOM 1854 CG ARG A 115 21.287 1.132 -7.330 1.00 0.00 C ATOM 1855 CD ARG A 115 22.814 1.017 -7.356 1.00 0.00 C ATOM 1856 NE ARG A 115 23.229 0.184 -8.518 1.00 0.00 N ATOM 1857 CZ ARG A 115 24.491 0.088 -8.835 1.00 0.00 C ATOM 1858 NH1 ARG A 115 25.172 1.159 -9.137 1.00 0.00 N ATOM 1859 NH2 ARG A 115 25.073 -1.081 -8.849 1.00 0.00 N ATOM 0 H ARG A 115 22.078 4.690 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 115 22.342 2.397 -9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 115 21.117 3.200 -6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.797 2.645 -7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.904 0.803 -6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.850 0.479 -8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 115 23.263 2.008 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 115 23.172 0.570 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 115 22.526 -0.312 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.718 2.072 -9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 115 26.159 1.083 -9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 115 24.541 -1.918 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 115 26.060 -1.157 -9.097 1.00 0.00 H new ATOM 1873 N LEU A 116 19.733 4.325 -9.721 1.00 0.00 N ATOM 1874 CA LEU A 116 18.700 4.665 -10.734 1.00 0.00 C ATOM 1875 C LEU A 116 19.402 5.008 -12.058 1.00 0.00 C ATOM 1876 O LEU A 116 19.013 4.539 -13.109 1.00 0.00 O ATOM 1877 CB LEU A 116 17.907 5.880 -10.247 1.00 0.00 C ATOM 1878 CG LEU A 116 16.681 6.077 -11.141 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.428 5.607 -10.398 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.537 7.559 -11.491 1.00 0.00 C ATOM 0 H LEU A 116 19.706 4.894 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 116 18.023 3.823 -10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.597 5.735 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.535 6.771 -10.270 1.00 0.00 H new ATOM 0 HG LEU A 116 16.802 5.497 -12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.554 5.747 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.529 4.551 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.308 6.188 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.664 7.699 -12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.416 8.139 -10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.429 7.897 -12.019 1.00 0.00 H new ATOM 1892 N LYS A 117 20.439 5.828 -12.025 1.00 0.00 N ATOM 1893 CA LYS A 117 21.139 6.184 -13.292 1.00 0.00 C ATOM 1894 C LYS A 117 21.808 4.943 -13.885 1.00 0.00 C ATOM 1895 O LYS A 117 21.969 4.829 -15.083 1.00 0.00 O ATOM 1896 CB LYS A 117 22.204 7.245 -13.001 1.00 0.00 C ATOM 1897 CG LYS A 117 22.619 7.924 -14.308 1.00 0.00 C ATOM 1898 CD LYS A 117 23.991 8.578 -14.131 1.00 0.00 C ATOM 1899 CE LYS A 117 24.752 8.536 -15.457 1.00 0.00 C ATOM 1900 NZ LYS A 117 26.072 7.875 -15.252 1.00 0.00 N ATOM 0 H LYS A 117 20.819 6.256 -11.181 1.00 0.00 H new ATOM 0 HA LYS A 117 20.413 6.575 -14.005 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.814 7.985 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.071 6.785 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 117 22.655 7.192 -15.115 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.881 8.674 -14.591 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.874 9.610 -13.800 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.557 8.057 -13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.173 7.992 -16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.895 9.547 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.590 7.846 -16.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 26.624 8.412 -14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.925 6.905 -14.906 1.00 0.00 H new ATOM 1914 N THR A 118 22.211 4.015 -13.060 1.00 0.00 N ATOM 1915 CA THR A 118 22.878 2.788 -13.586 1.00 0.00 C ATOM 1916 C THR A 118 21.894 1.975 -14.434 1.00 0.00 C ATOM 1917 O THR A 118 22.262 1.396 -15.438 1.00 0.00 O ATOM 1918 CB THR A 118 23.366 1.928 -12.418 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.982 2.759 -11.444 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.377 0.900 -12.927 1.00 0.00 C ATOM 0 H THR A 118 22.108 4.053 -12.046 1.00 0.00 H new ATOM 0 HA THR A 118 23.725 3.085 -14.204 1.00 0.00 H new ATOM 0 HB THR A 118 22.518 1.410 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.291 3.215 -10.919 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.724 0.288 -12.095 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.903 0.262 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.226 1.416 -13.376 1.00 0.00 H new ATOM 1928 N ILE A 119 20.650 1.919 -14.042 1.00 0.00 N ATOM 1929 CA ILE A 119 19.658 1.138 -14.826 1.00 0.00 C ATOM 1930 C ILE A 119 19.381 1.841 -16.155 1.00 0.00 C ATOM 1931 O ILE A 119 19.286 1.216 -17.189 1.00 0.00 O ATOM 1932 CB ILE A 119 18.371 1.024 -14.028 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.653 0.610 -12.571 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.455 -0.012 -14.681 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.949 -0.205 -12.476 1.00 0.00 C ATOM 0 H ILE A 119 20.280 2.382 -13.212 1.00 0.00 H new ATOM 0 HA ILE A 119 20.053 0.142 -15.027 1.00 0.00 H new ATOM 0 HB ILE A 119 17.887 2.001 -14.020 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.730 1.499 -11.944 1.00 0.00 H new ATOM 0 HG13 ILE A 119 17.819 0.021 -12.188 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.531 -0.094 -14.108 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.224 0.298 -15.700 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.956 -0.980 -14.701 1.00 0.00 H new ATOM 0 HD11 ILE A 119 20.127 -0.486 -11.438 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.859 -1.105 -13.085 1.00 0.00 H new ATOM 0 HD13 ILE A 119 20.784 0.395 -12.838 1.00 0.00 H new ATOM 1947 N MET A 120 19.245 3.137 -16.132 1.00 0.00 N ATOM 1948 CA MET A 120 18.971 3.889 -17.395 1.00 0.00 C ATOM 1949 C MET A 120 20.189 3.837 -18.307 1.00 0.00 C ATOM 1950 O MET A 120 20.067 3.858 -19.510 1.00 0.00 O ATOM 1951 CB MET A 120 18.665 5.346 -17.056 1.00 0.00 C ATOM 1952 CG MET A 120 17.318 5.439 -16.334 1.00 0.00 C ATOM 1953 SD MET A 120 17.548 6.200 -14.710 1.00 0.00 S ATOM 1954 CE MET A 120 15.817 6.134 -14.182 1.00 0.00 C ATOM 0 H MET A 120 19.311 3.712 -15.292 1.00 0.00 H new ATOM 0 HA MET A 120 18.120 3.436 -17.903 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.455 5.756 -16.426 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.642 5.944 -17.967 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.617 6.027 -16.926 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.885 4.445 -16.222 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.500 7.123 -13.851 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.194 5.813 -15.017 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.714 5.426 -13.360 1.00 0.00 H new ATOM 1964 N ARG A 121 21.357 3.772 -17.751 1.00 0.00 N ATOM 1965 CA ARG A 121 22.572 3.709 -18.605 1.00 0.00 C ATOM 1966 C ARG A 121 22.574 2.376 -19.351 1.00 0.00 C ATOM 1967 O ARG A 121 22.895 2.303 -20.520 1.00 0.00 O ATOM 1968 CB ARG A 121 23.817 3.799 -17.723 1.00 0.00 C ATOM 1969 CG ARG A 121 24.302 5.249 -17.669 1.00 0.00 C ATOM 1970 CD ARG A 121 25.546 5.403 -18.544 1.00 0.00 C ATOM 1971 NE ARG A 121 26.548 4.368 -18.166 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.714 4.342 -18.752 1.00 0.00 C ATOM 1973 NH1 ARG A 121 28.459 5.415 -18.770 1.00 0.00 N ATOM 1974 NH2 ARG A 121 28.136 3.245 -19.318 1.00 0.00 N ATOM 0 H ARG A 121 21.527 3.760 -16.745 1.00 0.00 H new ATOM 0 HA ARG A 121 22.574 4.535 -19.316 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.590 3.443 -16.718 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.603 3.156 -18.119 1.00 0.00 H new ATOM 0 HG2 ARG A 121 23.516 5.920 -18.015 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.531 5.529 -16.641 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.279 5.300 -19.596 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.971 6.399 -18.419 1.00 0.00 H new ATOM 0 HE ARG A 121 26.323 3.679 -17.449 1.00 0.00 H new ATOM 0 HH11 ARG A 121 28.129 6.272 -18.326 1.00 0.00 H new ATOM 0 HH12 ARG A 121 29.370 5.395 -19.228 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.555 2.407 -19.303 1.00 0.00 H new ATOM 0 HH22 ARG A 121 29.047 3.225 -19.776 1.00 0.00 H new ATOM 1988 N GLU A 122 22.216 1.320 -18.674 1.00 0.00 N ATOM 1989 CA GLU A 122 22.190 -0.018 -19.332 1.00 0.00 C ATOM 1990 C GLU A 122 21.034 -0.081 -20.340 1.00 0.00 C ATOM 1991 O GLU A 122 21.174 -0.642 -21.409 1.00 0.00 O ATOM 1992 CB GLU A 122 22.013 -1.124 -18.274 1.00 0.00 C ATOM 1993 CG GLU A 122 23.210 -1.160 -17.307 1.00 0.00 C ATOM 1994 CD GLU A 122 22.765 -1.780 -15.980 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.586 -2.061 -15.846 1.00 0.00 O ATOM 1996 OE2 GLU A 122 23.612 -1.962 -15.120 1.00 0.00 O ATOM 0 H GLU A 122 21.940 1.325 -17.692 1.00 0.00 H new ATOM 0 HA GLU A 122 23.134 -0.172 -19.855 1.00 0.00 H new ATOM 0 HB2 GLU A 122 21.094 -0.953 -17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.910 -2.091 -18.767 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.025 -1.741 -17.739 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.590 -0.152 -17.142 1.00 0.00 H new ATOM 2003 N LYS A 123 19.892 0.483 -20.026 1.00 0.00 N ATOM 2004 CA LYS A 123 18.760 0.434 -20.995 1.00 0.00 C ATOM 2005 C LYS A 123 19.077 1.339 -22.185 1.00 0.00 C ATOM 2006 O LYS A 123 18.680 1.085 -23.305 1.00 0.00 O ATOM 2007 CB LYS A 123 17.481 0.919 -20.312 1.00 0.00 C ATOM 2008 CG LYS A 123 16.283 0.141 -20.860 1.00 0.00 C ATOM 2009 CD LYS A 123 15.845 0.751 -22.192 1.00 0.00 C ATOM 2010 CE LYS A 123 14.506 0.147 -22.616 1.00 0.00 C ATOM 2011 NZ LYS A 123 14.734 -0.892 -23.658 1.00 0.00 N ATOM 0 H LYS A 123 19.699 0.969 -19.150 1.00 0.00 H new ATOM 0 HA LYS A 123 18.619 -0.590 -21.341 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.556 0.779 -19.234 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.345 1.986 -20.486 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.549 -0.907 -20.998 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.460 0.170 -20.146 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.753 1.833 -22.096 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.599 0.562 -22.956 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.004 -0.292 -21.754 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.850 0.927 -23.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 13.941 -1.565 -23.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 14.802 -0.438 -24.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.619 -1.400 -23.454 1.00 0.00 H new ATOM 2025 N TYR A 124 19.790 2.397 -21.936 1.00 0.00 N ATOM 2026 CA TYR A 124 20.153 3.347 -23.019 1.00 0.00 C ATOM 2027 C TYR A 124 21.180 2.699 -23.952 1.00 0.00 C ATOM 2028 O TYR A 124 21.124 2.853 -25.155 1.00 0.00 O ATOM 2029 CB TYR A 124 20.739 4.614 -22.389 1.00 0.00 C ATOM 2030 CG TYR A 124 20.857 5.692 -23.435 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.816 5.899 -24.347 1.00 0.00 C ATOM 2032 CD2 TYR A 124 22.007 6.484 -23.491 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.927 6.901 -25.319 1.00 0.00 C ATOM 2034 CE2 TYR A 124 22.120 7.486 -24.462 1.00 0.00 C ATOM 2035 CZ TYR A 124 21.079 7.695 -25.376 1.00 0.00 C ATOM 2036 OH TYR A 124 21.188 8.682 -26.333 1.00 0.00 O ATOM 0 H TYR A 124 20.143 2.648 -21.012 1.00 0.00 H new ATOM 0 HA TYR A 124 19.268 3.605 -23.600 1.00 0.00 H new ATOM 0 HB2 TYR A 124 20.102 4.954 -21.572 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.718 4.400 -21.961 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.928 5.286 -24.301 1.00 0.00 H new ATOM 0 HD2 TYR A 124 22.808 6.323 -22.785 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.125 7.061 -26.024 1.00 0.00 H new ATOM 0 HE2 TYR A 124 23.009 8.098 -24.507 1.00 0.00 H new ATOM 0 HH TYR A 124 22.048 9.141 -26.234 1.00 0.00 H new ATOM 2046 N SER A 125 22.121 1.979 -23.403 1.00 0.00 N ATOM 2047 CA SER A 125 23.153 1.326 -24.258 1.00 0.00 C ATOM 2048 C SER A 125 22.639 -0.032 -24.743 1.00 0.00 C ATOM 2049 O SER A 125 23.394 -0.858 -25.218 1.00 0.00 O ATOM 2050 CB SER A 125 24.434 1.124 -23.446 1.00 0.00 C ATOM 2051 OG SER A 125 25.516 1.771 -24.100 1.00 0.00 O ATOM 0 H SER A 125 22.219 1.815 -22.401 1.00 0.00 H new ATOM 0 HA SER A 125 23.362 1.961 -25.119 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.308 1.528 -22.442 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.645 0.060 -23.337 1.00 0.00 H new ATOM 0 HG SER A 125 26.336 1.643 -23.579 1.00 0.00 H new ATOM 2057 N LYS A 126 21.360 -0.272 -24.635 1.00 0.00 N ATOM 2058 CA LYS A 126 20.805 -1.574 -25.099 1.00 0.00 C ATOM 2059 C LYS A 126 20.057 -1.362 -26.415 1.00 0.00 C ATOM 2060 O LYS A 126 19.092 -2.038 -26.711 1.00 0.00 O ATOM 2061 CB LYS A 126 19.842 -2.125 -24.044 1.00 0.00 C ATOM 2062 CG LYS A 126 19.544 -3.596 -24.343 1.00 0.00 C ATOM 2063 CD LYS A 126 18.938 -4.258 -23.103 1.00 0.00 C ATOM 2064 CE LYS A 126 20.044 -4.950 -22.303 1.00 0.00 C ATOM 2065 NZ LYS A 126 19.838 -6.426 -22.344 1.00 0.00 N ATOM 0 H LYS A 126 20.677 0.377 -24.246 1.00 0.00 H new ATOM 0 HA LYS A 126 21.617 -2.285 -25.251 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.279 -2.026 -23.050 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.917 -1.548 -24.044 1.00 0.00 H new ATOM 0 HG2 LYS A 126 18.854 -3.675 -25.184 1.00 0.00 H new ATOM 0 HG3 LYS A 126 20.460 -4.112 -24.633 1.00 0.00 H new ATOM 0 HD2 LYS A 126 18.440 -3.511 -22.485 1.00 0.00 H new ATOM 0 HD3 LYS A 126 18.180 -4.983 -23.398 1.00 0.00 H new ATOM 0 HE2 LYS A 126 21.020 -4.697 -22.717 1.00 0.00 H new ATOM 0 HE3 LYS A 126 20.035 -4.599 -21.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 20.589 -6.897 -21.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 18.913 -6.659 -21.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 19.868 -6.753 -23.331 1.00 0.00 H new ATOM 2079 N CYS A 127 20.497 -0.423 -27.207 1.00 0.00 N ATOM 2080 CA CYS A 127 19.821 -0.154 -28.502 1.00 0.00 C ATOM 2081 C CYS A 127 20.133 -1.278 -29.494 1.00 0.00 C ATOM 2082 O CYS A 127 19.652 -1.283 -30.609 1.00 0.00 O ATOM 2083 CB CYS A 127 20.337 1.172 -29.054 1.00 0.00 C ATOM 2084 SG CYS A 127 20.319 2.417 -27.739 1.00 0.00 S ATOM 0 H CYS A 127 21.301 0.172 -27.009 1.00 0.00 H new ATOM 0 HA CYS A 127 18.742 -0.104 -28.353 1.00 0.00 H new ATOM 0 HB2 CYS A 127 21.349 1.049 -29.440 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.715 1.498 -29.888 1.00 0.00 H new ATOM 2089 N SER A 128 20.937 -2.229 -29.099 1.00 0.00 N ATOM 2090 CA SER A 128 21.277 -3.345 -30.024 1.00 0.00 C ATOM 2091 C SER A 128 20.020 -4.167 -30.317 1.00 0.00 C ATOM 2092 O SER A 128 19.258 -4.493 -29.429 1.00 0.00 O ATOM 2093 CB SER A 128 22.332 -4.240 -29.374 1.00 0.00 C ATOM 2094 OG SER A 128 23.026 -4.963 -30.381 1.00 0.00 O ATOM 0 H SER A 128 21.371 -2.280 -28.178 1.00 0.00 H new ATOM 0 HA SER A 128 21.669 -2.938 -30.956 1.00 0.00 H new ATOM 0 HB2 SER A 128 23.032 -3.635 -28.798 1.00 0.00 H new ATOM 0 HB3 SER A 128 21.858 -4.931 -28.676 1.00 0.00 H new ATOM 0 HG SER A 128 23.704 -5.536 -29.964 1.00 0.00 H new ATOM 2100 N SER A 129 19.797 -4.504 -31.557 1.00 0.00 N ATOM 2101 CA SER A 129 18.590 -5.305 -31.907 1.00 0.00 C ATOM 2102 C SER A 129 18.803 -6.759 -31.481 1.00 0.00 C ATOM 2103 O SER A 129 19.487 -7.471 -32.198 1.00 0.00 O ATOM 2104 CB SER A 129 18.358 -5.245 -33.418 1.00 0.00 C ATOM 2105 OG SER A 129 17.771 -6.461 -33.856 1.00 0.00 O ATOM 2106 OXT SER A 129 18.277 -7.135 -30.446 1.00 0.00 O ATOM 0 H SER A 129 20.399 -4.259 -32.344 1.00 0.00 H new ATOM 0 HA SER A 129 17.721 -4.898 -31.390 1.00 0.00 H new ATOM 0 HB2 SER A 129 17.707 -4.406 -33.664 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.303 -5.078 -33.935 1.00 0.00 H new ATOM 0 HG SER A 129 17.621 -6.422 -34.824 1.00 0.00 H new TER 2112 SER A 129