USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1085 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 122 LYS NZ :NH3+ -176:sc= 2.06 (180deg=0.867) USER MOD Set 1.2: A 139 ASN : amide:sc= 0.941 K(o=3,f=-11!) USER MOD Set 2.1: A 22 GLN : amide:sc= 0.0764 K(o=-4.3,f=-6) USER MOD Set 2.2: A 107 SER OG : rot 38:sc= 1.61 USER MOD Set 2.3: A 110 HIS : no HD1:sc= -6! C(o=-4.3!,f=-12!) USER MOD Set 3.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 153 GLN : amide:sc= 0.442 K(o=0.44,f=-5.6!) USER MOD Single : A 1 ALA N :NH3+ -147:sc= 1.24 (180deg=0.954) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0.687 (180deg=0.538) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= -0.0269 (180deg=-0.17) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 19 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 1.23 (180deg=0.863) USER MOD Single : A 25 SER OG : rot -170:sc= 0.0738 USER MOD Single : A 26 ASN : amide:sc= -1 K(o=-1,f=-5.1!) USER MOD Single : A 30 LYS NZ :NH3+ -126:sc= 0.0935 (180deg=-3.47!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 43 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.021) USER MOD Single : A 46 HIS : no HE2:sc= -3.12! C(o=-3.1!,f=-6.8!) USER MOD Single : A 48 HIS : no HE2:sc= -0.604 K(o=-0.6,f=-7!) USER MOD Single : A 53 ASN : amide:sc= 0.304 K(o=0.3,f=-9.7!) USER MOD Single : A 54 THR OG1 : rot -22:sc= -1.4! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 83:sc= 1.03 USER MOD Single : A 63 HIS : no HE2:sc= 0.88 K(o=0.88,f=-2.7!) USER MOD Single : A 65 ASN : amide:sc= -0.833 K(o=-0.83,f=-9.2!) USER MOD Single : A 68 SER OG : rot -81:sc= 1.3 USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= -0.0528 (180deg=-0.551) USER MOD Single : A 71 HIS : +bothHN:sc= -0.51 K(o=-0.51,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.741) USER MOD Single : A 80 HIS : no HE2:sc= -2.05 K(o=-2.1,f=-8.4!) USER MOD Single : A 86 ASN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 88 THR OG1 : rot -69:sc= 1.29 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 40:sc= 0.538 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -124:sc= 0.746 USER MOD Single : A 111 SER OG : rot 71:sc= 0.71 USER MOD Single : A 116 THR OG1 : rot 140:sc= 0.977 USER MOD Single : A 120 HIS : no HE2:sc= -0.727 K(o=-0.73,f=-5.5!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0.575 K(o=0.58,f=-0.47) USER MOD Single : A 134 SER OG : rot -117:sc= 1.24 USER MOD Single : A 135 THR OG1 : rot 71:sc= 0.791 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.00762 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.526 -12.955 -0.915 1.00 0.00 N ATOM 2 CA ALA A 1 8.184 -12.952 -0.357 1.00 0.00 C ATOM 3 C ALA A 1 7.274 -13.738 -1.273 1.00 0.00 C ATOM 4 O ALA A 1 7.306 -13.538 -2.480 1.00 0.00 O ATOM 5 CB ALA A 1 7.691 -11.531 -0.237 1.00 0.00 C ATOM 0 H1 ALA A 1 10.223 -12.950 -0.143 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.659 -13.808 -1.495 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.658 -12.110 -1.506 1.00 0.00 H new ATOM 0 HA ALA A 1 8.190 -13.408 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.685 -11.529 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.357 -10.969 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.675 -11.067 -1.223 1.00 0.00 H new ATOM 13 N THR A 2 6.508 -14.647 -0.705 1.00 0.00 N ATOM 14 CA THR A 2 5.608 -15.494 -1.466 1.00 0.00 C ATOM 15 C THR A 2 4.121 -15.151 -1.185 1.00 0.00 C ATOM 16 O THR A 2 3.287 -15.174 -2.083 1.00 0.00 O ATOM 17 CB THR A 2 5.871 -16.974 -1.111 1.00 0.00 C ATOM 18 OG1 THR A 2 7.285 -17.250 -1.217 1.00 0.00 O ATOM 19 CG2 THR A 2 5.117 -17.906 -2.046 1.00 0.00 C ATOM 0 H THR A 2 6.491 -14.821 0.300 1.00 0.00 H new ATOM 0 HA THR A 2 5.798 -15.320 -2.525 1.00 0.00 H new ATOM 0 HB THR A 2 5.524 -17.145 -0.092 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.453 -18.188 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.322 -18.941 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.047 -17.714 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.441 -17.732 -3.072 1.00 0.00 H new ATOM 27 N LYS A 3 3.807 -14.806 0.035 1.00 0.00 N ATOM 28 CA LYS A 3 2.439 -14.515 0.405 1.00 0.00 C ATOM 29 C LYS A 3 2.447 -13.451 1.451 1.00 0.00 C ATOM 30 O LYS A 3 3.423 -13.309 2.176 1.00 0.00 O ATOM 31 CB LYS A 3 1.723 -15.773 0.955 1.00 0.00 C ATOM 32 CG LYS A 3 0.257 -15.529 1.330 1.00 0.00 C ATOM 33 CD LYS A 3 -0.346 -16.678 2.105 1.00 0.00 C ATOM 34 CE LYS A 3 -1.779 -16.362 2.533 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.871 -15.138 3.386 1.00 0.00 N ATOM 0 H LYS A 3 4.480 -14.718 0.796 1.00 0.00 H new ATOM 0 HA LYS A 3 1.898 -14.182 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.771 -16.565 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.259 -16.131 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.185 -14.618 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.323 -15.364 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.337 -17.579 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.262 -16.886 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.398 -16.228 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.186 -17.212 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.823 -15.074 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.166 -15.192 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.688 -14.295 2.805 1.00 0.00 H new ATOM 49 N ALA A 4 1.398 -12.697 1.505 1.00 0.00 N ATOM 50 CA ALA A 4 1.233 -11.725 2.508 1.00 0.00 C ATOM 51 C ALA A 4 -0.183 -11.797 3.061 1.00 0.00 C ATOM 52 O ALA A 4 -1.023 -12.524 2.516 1.00 0.00 O ATOM 53 CB ALA A 4 1.588 -10.355 1.999 1.00 0.00 C ATOM 0 H ALA A 4 0.627 -12.748 0.839 1.00 0.00 H new ATOM 0 HA ALA A 4 1.921 -11.931 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.451 -9.624 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.628 -10.346 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.943 -10.101 1.158 1.00 0.00 H new ATOM 59 N VAL A 5 -0.413 -11.134 4.156 1.00 0.00 N ATOM 60 CA VAL A 5 -1.698 -11.087 4.794 1.00 0.00 C ATOM 61 C VAL A 5 -1.983 -9.646 5.260 1.00 0.00 C ATOM 62 O VAL A 5 -1.109 -8.962 5.807 1.00 0.00 O ATOM 63 CB VAL A 5 -1.782 -12.112 5.970 1.00 0.00 C ATOM 64 CG1 VAL A 5 -0.777 -11.804 7.074 1.00 0.00 C ATOM 65 CG2 VAL A 5 -3.199 -12.203 6.528 1.00 0.00 C ATOM 0 H VAL A 5 0.305 -10.597 4.643 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.468 -11.376 4.078 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.519 -13.086 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.873 -12.543 7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.233 -11.838 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.972 -10.810 7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.223 -12.925 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.508 -11.225 6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.880 -12.524 5.740 1.00 0.00 H new ATOM 75 N ALA A 6 -3.152 -9.184 4.947 1.00 0.00 N ATOM 76 CA ALA A 6 -3.591 -7.820 5.282 1.00 0.00 C ATOM 77 C ALA A 6 -4.725 -7.779 6.332 1.00 0.00 C ATOM 78 O ALA A 6 -5.720 -8.508 6.206 1.00 0.00 O ATOM 79 CB ALA A 6 -4.073 -7.138 4.019 1.00 0.00 C ATOM 0 H ALA A 6 -3.853 -9.730 4.446 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.733 -7.308 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.401 -6.126 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.259 -7.096 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.906 -7.700 3.597 1.00 0.00 H new ATOM 85 N VAL A 7 -4.560 -6.933 7.368 1.00 0.00 N ATOM 86 CA VAL A 7 -5.595 -6.679 8.383 1.00 0.00 C ATOM 87 C VAL A 7 -5.685 -5.165 8.629 1.00 0.00 C ATOM 88 O VAL A 7 -4.804 -4.597 9.248 1.00 0.00 O ATOM 89 CB VAL A 7 -5.266 -7.376 9.739 1.00 0.00 C ATOM 90 CG1 VAL A 7 -6.353 -7.121 10.761 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.080 -8.857 9.558 1.00 0.00 C ATOM 0 H VAL A 7 -3.701 -6.406 7.523 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.536 -7.082 8.009 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.332 -6.948 10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.097 -7.619 11.696 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.445 -6.049 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.300 -7.512 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.852 -9.315 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.995 -9.292 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.258 -9.039 8.866 1.00 0.00 H new ATOM 101 N LEU A 8 -6.699 -4.519 8.100 1.00 0.00 N ATOM 102 CA LEU A 8 -6.837 -3.075 8.286 1.00 0.00 C ATOM 103 C LEU A 8 -8.085 -2.695 9.012 1.00 0.00 C ATOM 104 O LEU A 8 -9.098 -3.404 8.942 1.00 0.00 O ATOM 105 CB LEU A 8 -6.675 -2.281 6.971 1.00 0.00 C ATOM 106 CG LEU A 8 -7.610 -2.605 5.789 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.560 -1.470 4.787 1.00 0.00 C ATOM 108 CD2 LEU A 8 -7.179 -3.887 5.091 1.00 0.00 C ATOM 0 H LEU A 8 -7.435 -4.954 7.544 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.005 -2.789 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.795 -1.224 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.649 -2.417 6.628 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.621 -2.733 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.220 -1.695 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.884 -0.547 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.539 -1.351 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.854 -4.094 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.163 -3.771 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.210 -4.715 5.799 1.00 0.00 H new ATOM 120 N LYS A 9 -8.015 -1.591 9.710 1.00 0.00 N ATOM 121 CA LYS A 9 -9.105 -1.111 10.501 1.00 0.00 C ATOM 122 C LYS A 9 -8.840 0.347 10.806 1.00 0.00 C ATOM 123 O LYS A 9 -7.691 0.744 11.046 1.00 0.00 O ATOM 124 CB LYS A 9 -9.226 -1.924 11.799 1.00 0.00 C ATOM 125 CG LYS A 9 -10.482 -1.632 12.592 1.00 0.00 C ATOM 126 CD LYS A 9 -10.571 -2.496 13.824 1.00 0.00 C ATOM 127 CE LYS A 9 -11.869 -2.256 14.572 1.00 0.00 C ATOM 128 NZ LYS A 9 -12.009 -0.858 15.026 1.00 0.00 N ATOM 0 H LYS A 9 -7.187 -0.997 9.742 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.046 -1.219 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.201 -2.986 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.357 -1.721 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.495 -0.581 12.882 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.357 -1.800 11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.501 -3.546 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.726 -2.286 14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.709 -2.511 13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.916 -2.921 15.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.821 -0.782 15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.143 -0.566 15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.162 -0.240 14.204 1.00 0.00 H new ATOM 142 N GLY A 10 -9.849 1.141 10.779 1.00 0.00 N ATOM 143 CA GLY A 10 -9.640 2.524 10.988 1.00 0.00 C ATOM 144 C GLY A 10 -10.817 3.205 11.591 1.00 0.00 C ATOM 145 O GLY A 10 -11.664 2.577 12.234 1.00 0.00 O ATOM 0 H GLY A 10 -10.816 0.860 10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.776 2.661 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.401 2.998 10.036 1.00 0.00 H new ATOM 149 N ASP A 11 -10.856 4.506 11.400 1.00 0.00 N ATOM 150 CA ASP A 11 -11.935 5.338 11.896 1.00 0.00 C ATOM 151 C ASP A 11 -13.162 5.041 11.071 1.00 0.00 C ATOM 152 O ASP A 11 -14.246 4.784 11.600 1.00 0.00 O ATOM 153 CB ASP A 11 -11.569 6.817 11.779 1.00 0.00 C ATOM 154 CG ASP A 11 -12.589 7.718 12.435 1.00 0.00 C ATOM 155 OD1 ASP A 11 -13.562 8.139 11.778 1.00 0.00 O ATOM 156 OD2 ASP A 11 -12.424 8.030 13.628 1.00 0.00 O ATOM 0 H ASP A 11 -10.136 5.021 10.893 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.120 5.123 12.948 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.594 6.984 12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.477 7.083 10.726 1.00 0.00 H new ATOM 161 N GLY A 12 -12.977 5.062 9.781 1.00 0.00 N ATOM 162 CA GLY A 12 -14.003 4.655 8.870 1.00 0.00 C ATOM 163 C GLY A 12 -13.664 3.258 8.441 1.00 0.00 C ATOM 164 O GLY A 12 -12.474 2.946 8.343 1.00 0.00 O ATOM 0 H GLY A 12 -12.111 5.362 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.982 4.687 9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.047 5.325 8.011 1.00 0.00 H new ATOM 168 N PRO A 13 -14.629 2.374 8.208 1.00 0.00 N ATOM 169 CA PRO A 13 -14.294 1.012 7.890 1.00 0.00 C ATOM 170 C PRO A 13 -13.810 0.839 6.460 1.00 0.00 C ATOM 171 O PRO A 13 -14.491 1.195 5.485 1.00 0.00 O ATOM 172 CB PRO A 13 -15.609 0.260 8.105 1.00 0.00 C ATOM 173 CG PRO A 13 -16.676 1.281 7.890 1.00 0.00 C ATOM 174 CD PRO A 13 -16.073 2.619 8.233 1.00 0.00 C ATOM 0 HA PRO A 13 -13.471 0.649 8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.709 -0.569 7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -15.663 -0.162 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.022 1.266 6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.542 1.074 8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.361 3.383 7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.402 2.966 9.213 1.00 0.00 H new ATOM 182 N VAL A 14 -12.639 0.287 6.365 1.00 0.00 N ATOM 183 CA VAL A 14 -12.024 -0.109 5.143 1.00 0.00 C ATOM 184 C VAL A 14 -11.534 -1.507 5.422 1.00 0.00 C ATOM 185 O VAL A 14 -10.679 -1.689 6.280 1.00 0.00 O ATOM 186 CB VAL A 14 -10.813 0.802 4.767 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.297 0.470 3.375 1.00 0.00 C ATOM 188 CG2 VAL A 14 -11.172 2.281 4.864 1.00 0.00 C ATOM 0 H VAL A 14 -12.060 0.092 7.182 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.721 -0.040 4.307 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.020 0.604 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.454 1.118 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.975 -0.571 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.092 0.625 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.305 2.884 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.993 2.502 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.475 2.516 5.884 1.00 0.00 H new ATOM 198 N GLN A 15 -12.090 -2.482 4.784 1.00 0.00 N ATOM 199 CA GLN A 15 -11.735 -3.858 5.094 1.00 0.00 C ATOM 200 C GLN A 15 -11.144 -4.509 3.883 1.00 0.00 C ATOM 201 O GLN A 15 -11.608 -4.255 2.784 1.00 0.00 O ATOM 202 CB GLN A 15 -12.967 -4.620 5.577 1.00 0.00 C ATOM 203 CG GLN A 15 -13.580 -4.043 6.844 1.00 0.00 C ATOM 204 CD GLN A 15 -14.796 -4.802 7.314 1.00 0.00 C ATOM 205 OE1 GLN A 15 -15.551 -5.372 6.515 1.00 0.00 O ATOM 206 NE2 GLN A 15 -14.993 -4.844 8.597 1.00 0.00 N ATOM 0 H GLN A 15 -12.788 -2.371 4.048 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.993 -3.872 5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.718 -4.619 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.694 -5.660 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.831 -4.044 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.855 -3.003 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.351 -4.363 9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.789 -5.358 8.974 1.00 0.00 H new ATOM 215 N GLY A 16 -10.129 -5.332 4.064 1.00 0.00 N ATOM 216 CA GLY A 16 -9.488 -5.935 2.938 1.00 0.00 C ATOM 217 C GLY A 16 -8.520 -7.027 3.312 1.00 0.00 C ATOM 218 O GLY A 16 -8.024 -7.072 4.438 1.00 0.00 O ATOM 0 H GLY A 16 -9.743 -5.589 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.248 -6.346 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.957 -5.166 2.377 1.00 0.00 H new ATOM 222 N ILE A 17 -8.257 -7.897 2.361 1.00 0.00 N ATOM 223 CA ILE A 17 -7.329 -8.993 2.492 1.00 0.00 C ATOM 224 C ILE A 17 -6.484 -9.035 1.231 1.00 0.00 C ATOM 225 O ILE A 17 -6.953 -9.429 0.166 1.00 0.00 O ATOM 226 CB ILE A 17 -8.049 -10.368 2.734 1.00 0.00 C ATOM 227 CG1 ILE A 17 -9.232 -10.577 1.750 1.00 0.00 C ATOM 228 CG2 ILE A 17 -8.503 -10.495 4.185 1.00 0.00 C ATOM 229 CD1 ILE A 17 -9.947 -11.911 1.897 1.00 0.00 C ATOM 0 H ILE A 17 -8.701 -7.857 1.444 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.705 -8.829 3.370 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.326 -11.159 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.955 -9.774 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.859 -10.490 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.999 -11.455 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.637 -10.432 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.198 -9.689 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.758 -11.971 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.242 -12.723 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.354 -11.996 2.904 1.00 0.00 H new ATOM 241 N ILE A 18 -5.278 -8.549 1.329 1.00 0.00 N ATOM 242 CA ILE A 18 -4.415 -8.433 0.163 1.00 0.00 C ATOM 243 C ILE A 18 -3.134 -9.228 0.393 1.00 0.00 C ATOM 244 O ILE A 18 -2.576 -9.204 1.496 1.00 0.00 O ATOM 245 CB ILE A 18 -4.033 -6.944 -0.112 1.00 0.00 C ATOM 246 CG1 ILE A 18 -5.257 -6.015 0.058 1.00 0.00 C ATOM 247 CG2 ILE A 18 -3.476 -6.811 -1.531 1.00 0.00 C ATOM 248 CD1 ILE A 18 -4.956 -4.540 -0.139 1.00 0.00 C ATOM 0 H ILE A 18 -4.860 -8.224 2.201 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.960 -8.824 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.275 -6.644 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.027 -6.315 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.671 -6.159 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.210 -5.771 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.590 -7.437 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.231 -7.130 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.869 -3.961 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.211 -4.220 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.572 -4.378 -1.146 1.00 0.00 H new ATOM 260 N ASN A 19 -2.693 -9.946 -0.618 1.00 0.00 N ATOM 261 CA ASN A 19 -1.455 -10.724 -0.535 1.00 0.00 C ATOM 262 C ASN A 19 -0.400 -10.166 -1.483 1.00 0.00 C ATOM 263 O ASN A 19 -0.706 -9.859 -2.618 1.00 0.00 O ATOM 264 CB ASN A 19 -1.699 -12.232 -0.796 1.00 0.00 C ATOM 265 CG ASN A 19 -2.372 -12.546 -2.134 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.596 -12.599 -2.226 1.00 0.00 O ATOM 267 ND2 ASN A 19 -1.601 -12.768 -3.160 1.00 0.00 N ATOM 0 H ASN A 19 -3.171 -10.013 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.081 -10.633 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.743 -12.754 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.316 -12.631 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.011 -12.992 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.587 -12.718 -3.057 1.00 0.00 H new ATOM 274 N PHE A 20 0.836 -10.012 -0.996 1.00 0.00 N ATOM 275 CA PHE A 20 1.928 -9.448 -1.793 1.00 0.00 C ATOM 276 C PHE A 20 3.108 -10.416 -1.864 1.00 0.00 C ATOM 277 O PHE A 20 3.513 -10.979 -0.844 1.00 0.00 O ATOM 278 CB PHE A 20 2.431 -8.141 -1.154 1.00 0.00 C ATOM 279 CG PHE A 20 1.359 -7.130 -0.865 1.00 0.00 C ATOM 280 CD1 PHE A 20 0.920 -6.263 -1.843 1.00 0.00 C ATOM 281 CD2 PHE A 20 0.792 -7.054 0.396 1.00 0.00 C ATOM 282 CE1 PHE A 20 -0.064 -5.340 -1.567 1.00 0.00 C ATOM 283 CE2 PHE A 20 -0.190 -6.135 0.672 1.00 0.00 C ATOM 284 CZ PHE A 20 -0.619 -5.277 -0.310 1.00 0.00 C ATOM 0 H PHE A 20 1.105 -10.272 -0.047 1.00 0.00 H new ATOM 0 HA PHE A 20 1.540 -9.262 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.945 -8.382 -0.223 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.168 -7.689 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.351 -6.308 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.126 -7.726 1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.401 -4.664 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.624 -6.087 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.391 -4.553 -0.096 1.00 0.00 H new ATOM 294 N GLU A 21 3.652 -10.601 -3.054 1.00 0.00 N ATOM 295 CA GLU A 21 4.842 -11.429 -3.245 1.00 0.00 C ATOM 296 C GLU A 21 5.898 -10.735 -4.129 1.00 0.00 C ATOM 297 O GLU A 21 5.752 -10.630 -5.337 1.00 0.00 O ATOM 298 CB GLU A 21 4.470 -12.801 -3.821 1.00 0.00 C ATOM 299 CG GLU A 21 3.629 -12.757 -5.081 1.00 0.00 C ATOM 300 CD GLU A 21 3.297 -14.121 -5.606 1.00 0.00 C ATOM 301 OE1 GLU A 21 2.369 -14.760 -5.084 1.00 0.00 O ATOM 302 OE2 GLU A 21 3.918 -14.568 -6.583 1.00 0.00 O ATOM 0 H GLU A 21 3.289 -10.187 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 21 5.289 -11.575 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.387 -13.351 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.929 -13.364 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.705 -12.217 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.163 -12.197 -5.849 1.00 0.00 H new ATOM 309 N GLN A 22 6.925 -10.204 -3.503 1.00 0.00 N ATOM 310 CA GLN A 22 8.009 -9.618 -4.144 1.00 0.00 C ATOM 311 C GLN A 22 9.125 -10.631 -3.971 1.00 0.00 C ATOM 312 O GLN A 22 9.525 -10.935 -2.835 1.00 0.00 O ATOM 313 CB GLN A 22 8.252 -8.345 -3.372 1.00 0.00 C ATOM 314 CG GLN A 22 6.965 -7.498 -3.285 1.00 0.00 C ATOM 315 CD GLN A 22 6.931 -6.539 -2.116 1.00 0.00 C ATOM 316 OE1 GLN A 22 7.506 -6.801 -1.054 1.00 0.00 O ATOM 317 NE2 GLN A 22 6.260 -5.427 -2.296 1.00 0.00 N ATOM 0 H GLN A 22 7.000 -10.184 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 22 7.896 -9.379 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.602 -8.585 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.040 -7.767 -3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.854 -6.931 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.107 -8.167 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.799 -5.248 -3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.199 -4.741 -1.544 1.00 0.00 H new ATOM 326 N LYS A 23 9.570 -11.216 -5.048 1.00 0.00 N ATOM 327 CA LYS A 23 10.457 -12.335 -4.959 1.00 0.00 C ATOM 328 C LYS A 23 11.624 -12.172 -5.940 1.00 0.00 C ATOM 329 O LYS A 23 11.625 -11.267 -6.765 1.00 0.00 O ATOM 330 CB LYS A 23 9.642 -13.613 -5.248 1.00 0.00 C ATOM 331 CG LYS A 23 10.298 -14.908 -4.816 1.00 0.00 C ATOM 332 CD LYS A 23 9.419 -16.098 -5.126 1.00 0.00 C ATOM 333 CE LYS A 23 10.045 -17.388 -4.624 1.00 0.00 C ATOM 334 NZ LYS A 23 11.393 -17.618 -5.194 1.00 0.00 N ATOM 0 H LYS A 23 9.331 -10.933 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 23 10.891 -12.403 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.676 -13.529 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.444 -13.664 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.257 -15.019 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.505 -14.874 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.441 -15.961 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.257 -16.164 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.113 -17.357 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.397 -18.227 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.680 -18.602 -5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.372 -17.440 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.074 -16.973 -4.745 1.00 0.00 H new ATOM 348 N GLU A 24 12.590 -13.055 -5.828 1.00 0.00 N ATOM 349 CA GLU A 24 13.824 -13.059 -6.631 1.00 0.00 C ATOM 350 C GLU A 24 13.531 -13.287 -8.120 1.00 0.00 C ATOM 351 O GLU A 24 14.299 -12.864 -8.980 1.00 0.00 O ATOM 352 CB GLU A 24 14.772 -14.209 -6.186 1.00 0.00 C ATOM 353 CG GLU A 24 15.042 -14.358 -4.682 1.00 0.00 C ATOM 354 CD GLU A 24 13.840 -14.869 -3.924 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.363 -15.976 -4.229 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.303 -14.135 -3.084 1.00 0.00 O ATOM 0 H GLU A 24 12.551 -13.822 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 24 14.286 -12.084 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.355 -15.149 -6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.729 -14.070 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.878 -15.041 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.342 -13.393 -4.273 1.00 0.00 H new ATOM 363 N SER A 25 12.421 -13.949 -8.381 1.00 0.00 N ATOM 364 CA SER A 25 12.005 -14.425 -9.690 1.00 0.00 C ATOM 365 C SER A 25 12.019 -13.365 -10.819 1.00 0.00 C ATOM 366 O SER A 25 12.331 -13.707 -11.957 1.00 0.00 O ATOM 367 CB SER A 25 10.610 -14.991 -9.530 1.00 0.00 C ATOM 368 OG SER A 25 10.562 -15.804 -8.361 1.00 0.00 O ATOM 0 H SER A 25 11.749 -14.182 -7.650 1.00 0.00 H new ATOM 0 HA SER A 25 12.734 -15.168 -10.013 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.884 -14.182 -9.454 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.341 -15.579 -10.407 1.00 0.00 H new ATOM 0 HG SER A 25 9.714 -16.296 -8.339 1.00 0.00 H new ATOM 374 N ASN A 26 11.730 -12.093 -10.487 1.00 0.00 N ATOM 375 CA ASN A 26 11.563 -11.009 -11.501 1.00 0.00 C ATOM 376 C ASN A 26 10.351 -11.316 -12.367 1.00 0.00 C ATOM 377 O ASN A 26 10.425 -12.109 -13.302 1.00 0.00 O ATOM 378 CB ASN A 26 12.821 -10.796 -12.391 1.00 0.00 C ATOM 379 CG ASN A 26 12.630 -9.713 -13.464 1.00 0.00 C ATOM 380 OD1 ASN A 26 12.900 -8.539 -13.230 1.00 0.00 O ATOM 381 ND2 ASN A 26 12.166 -10.093 -14.629 1.00 0.00 N ATOM 0 H ASN A 26 11.605 -11.780 -9.524 1.00 0.00 H new ATOM 0 HA ASN A 26 11.417 -10.077 -10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.665 -10.524 -11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.078 -11.738 -12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.021 -9.406 -15.369 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.950 -11.076 -14.796 1.00 0.00 H new ATOM 388 N GLY A 27 9.241 -10.729 -12.045 1.00 0.00 N ATOM 389 CA GLY A 27 8.041 -11.037 -12.754 1.00 0.00 C ATOM 390 C GLY A 27 6.917 -10.275 -12.210 1.00 0.00 C ATOM 391 O GLY A 27 7.144 -9.289 -11.489 1.00 0.00 O ATOM 0 H GLY A 27 9.141 -10.039 -11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.167 -10.806 -13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.833 -12.105 -12.683 1.00 0.00 H new ATOM 395 N PRO A 28 5.706 -10.678 -12.514 1.00 0.00 N ATOM 396 CA PRO A 28 4.547 -10.042 -11.997 1.00 0.00 C ATOM 397 C PRO A 28 4.218 -10.570 -10.608 1.00 0.00 C ATOM 398 O PRO A 28 4.354 -11.778 -10.320 1.00 0.00 O ATOM 399 CB PRO A 28 3.438 -10.408 -12.991 1.00 0.00 C ATOM 400 CG PRO A 28 3.996 -11.473 -13.886 1.00 0.00 C ATOM 401 CD PRO A 28 5.369 -11.810 -13.389 1.00 0.00 C ATOM 0 HA PRO A 28 4.675 -8.965 -11.893 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.552 -10.768 -12.467 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.134 -9.536 -13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.357 -12.356 -13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.037 -11.123 -14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.378 -12.754 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.080 -11.908 -14.210 1.00 0.00 H new ATOM 409 N VAL A 29 3.827 -9.683 -9.755 1.00 0.00 N ATOM 410 CA VAL A 29 3.428 -10.038 -8.436 1.00 0.00 C ATOM 411 C VAL A 29 2.049 -10.670 -8.499 1.00 0.00 C ATOM 412 O VAL A 29 1.155 -10.174 -9.191 1.00 0.00 O ATOM 413 CB VAL A 29 3.399 -8.793 -7.467 1.00 0.00 C ATOM 414 CG1 VAL A 29 4.785 -8.262 -7.199 1.00 0.00 C ATOM 415 CG2 VAL A 29 2.537 -7.664 -8.021 1.00 0.00 C ATOM 0 H VAL A 29 3.775 -8.684 -9.956 1.00 0.00 H new ATOM 0 HA VAL A 29 4.158 -10.741 -8.036 1.00 0.00 H new ATOM 0 HB VAL A 29 2.964 -9.148 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.723 -7.405 -6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.390 -9.042 -6.737 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.245 -7.955 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.543 -6.826 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.936 -7.340 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.515 -8.018 -8.153 1.00 0.00 H new ATOM 425 N LYS A 30 1.906 -11.802 -7.880 1.00 0.00 N ATOM 426 CA LYS A 30 0.629 -12.425 -7.792 1.00 0.00 C ATOM 427 C LYS A 30 -0.047 -11.897 -6.552 1.00 0.00 C ATOM 428 O LYS A 30 0.263 -12.289 -5.427 1.00 0.00 O ATOM 429 CB LYS A 30 0.734 -13.944 -7.800 1.00 0.00 C ATOM 430 CG LYS A 30 -0.599 -14.673 -7.646 1.00 0.00 C ATOM 431 CD LYS A 30 -0.491 -16.205 -7.810 1.00 0.00 C ATOM 432 CE LYS A 30 0.329 -16.920 -6.713 1.00 0.00 C ATOM 433 NZ LYS A 30 1.793 -16.692 -6.800 1.00 0.00 N ATOM 0 H LYS A 30 2.665 -12.312 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 30 0.028 -12.182 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.199 -14.258 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.398 -14.254 -6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.014 -14.450 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.302 -14.286 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.496 -16.626 -7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.041 -16.421 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.022 -16.585 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.136 -17.991 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.286 -17.607 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.010 -16.158 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.110 -16.150 -5.971 1.00 0.00 H new ATOM 447 N VAL A 31 -0.921 -10.966 -6.771 1.00 0.00 N ATOM 448 CA VAL A 31 -1.524 -10.181 -5.722 1.00 0.00 C ATOM 449 C VAL A 31 -3.016 -10.143 -5.901 1.00 0.00 C ATOM 450 O VAL A 31 -3.508 -9.959 -7.020 1.00 0.00 O ATOM 451 CB VAL A 31 -0.959 -8.720 -5.765 1.00 0.00 C ATOM 452 CG1 VAL A 31 -1.680 -7.789 -4.820 1.00 0.00 C ATOM 453 CG2 VAL A 31 0.510 -8.718 -5.435 1.00 0.00 C ATOM 0 H VAL A 31 -1.248 -10.719 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.288 -10.636 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.119 -8.355 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.247 -6.791 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.736 -7.746 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.578 -8.156 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.889 -7.697 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.659 -9.128 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.047 -9.328 -6.161 1.00 0.00 H new ATOM 463 N TRP A 32 -3.720 -10.339 -4.840 1.00 0.00 N ATOM 464 CA TRP A 32 -5.140 -10.282 -4.882 1.00 0.00 C ATOM 465 C TRP A 32 -5.628 -9.605 -3.619 1.00 0.00 C ATOM 466 O TRP A 32 -5.166 -9.943 -2.522 1.00 0.00 O ATOM 467 CB TRP A 32 -5.710 -11.692 -4.970 1.00 0.00 C ATOM 468 CG TRP A 32 -6.959 -11.755 -5.763 1.00 0.00 C ATOM 469 CD1 TRP A 32 -8.215 -11.417 -5.366 1.00 0.00 C ATOM 470 CD2 TRP A 32 -7.060 -12.184 -7.118 1.00 0.00 C ATOM 471 NE1 TRP A 32 -9.092 -11.603 -6.403 1.00 0.00 N ATOM 472 CE2 TRP A 32 -8.404 -12.077 -7.490 1.00 0.00 C ATOM 473 CE3 TRP A 32 -6.130 -12.648 -8.056 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -8.849 -12.417 -8.760 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -6.571 -12.985 -9.315 1.00 0.00 C ATOM 476 CH2 TRP A 32 -7.918 -12.868 -9.657 1.00 0.00 C ATOM 0 H TRP A 32 -3.328 -10.543 -3.920 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.468 -9.720 -5.756 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.967 -12.353 -5.417 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.904 -12.065 -3.964 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -8.481 -11.057 -4.383 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.095 -11.419 -6.371 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.086 -12.740 -7.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -9.891 -12.329 -9.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.865 -13.345 -10.048 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.234 -13.140 -10.653 1.00 0.00 H new ATOM 487 N GLY A 33 -6.479 -8.615 -3.761 1.00 0.00 N ATOM 488 CA GLY A 33 -7.059 -8.004 -2.612 1.00 0.00 C ATOM 489 C GLY A 33 -8.453 -7.483 -2.879 1.00 0.00 C ATOM 490 O GLY A 33 -8.735 -6.931 -3.956 1.00 0.00 O ATOM 0 H GLY A 33 -6.776 -8.226 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.094 -8.728 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.424 -7.182 -2.281 1.00 0.00 H new ATOM 494 N SER A 34 -9.317 -7.689 -1.925 1.00 0.00 N ATOM 495 CA SER A 34 -10.667 -7.273 -1.958 1.00 0.00 C ATOM 496 C SER A 34 -10.897 -6.252 -0.832 1.00 0.00 C ATOM 497 O SER A 34 -10.757 -6.608 0.338 1.00 0.00 O ATOM 498 CB SER A 34 -11.537 -8.502 -1.739 1.00 0.00 C ATOM 499 OG SER A 34 -11.218 -9.551 -2.652 1.00 0.00 O ATOM 0 H SER A 34 -9.073 -8.178 -1.064 1.00 0.00 H new ATOM 0 HA SER A 34 -10.915 -6.808 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.410 -8.859 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.586 -8.229 -1.853 1.00 0.00 H new ATOM 0 HG SER A 34 -11.796 -10.323 -2.479 1.00 0.00 H new ATOM 505 N ILE A 35 -11.205 -5.028 -1.157 1.00 0.00 N ATOM 506 CA ILE A 35 -11.517 -4.029 -0.152 1.00 0.00 C ATOM 507 C ILE A 35 -12.996 -3.678 -0.183 1.00 0.00 C ATOM 508 O ILE A 35 -13.625 -3.763 -1.208 1.00 0.00 O ATOM 509 CB ILE A 35 -10.573 -2.760 -0.239 1.00 0.00 C ATOM 510 CG1 ILE A 35 -9.263 -3.028 0.513 1.00 0.00 C ATOM 511 CG2 ILE A 35 -11.229 -1.453 0.241 1.00 0.00 C ATOM 512 CD1 ILE A 35 -8.244 -1.905 0.434 1.00 0.00 C ATOM 0 H ILE A 35 -11.249 -4.688 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.311 -4.466 0.825 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.365 -2.604 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.494 -3.217 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.812 -3.938 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.517 -0.633 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.107 -1.241 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.529 -1.558 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.351 -2.184 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.978 -1.728 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.670 -0.996 0.859 1.00 0.00 H new ATOM 524 N LYS A 36 -13.518 -3.353 0.956 1.00 0.00 N ATOM 525 CA LYS A 36 -14.877 -2.962 1.177 1.00 0.00 C ATOM 526 C LYS A 36 -14.789 -1.677 1.972 1.00 0.00 C ATOM 527 O LYS A 36 -14.151 -1.649 3.027 1.00 0.00 O ATOM 528 CB LYS A 36 -15.613 -4.064 1.955 1.00 0.00 C ATOM 529 CG LYS A 36 -15.581 -5.418 1.237 1.00 0.00 C ATOM 530 CD LYS A 36 -16.343 -6.503 1.975 1.00 0.00 C ATOM 531 CE LYS A 36 -15.758 -6.828 3.337 1.00 0.00 C ATOM 532 NZ LYS A 36 -16.545 -7.877 4.013 1.00 0.00 N ATOM 0 H LYS A 36 -12.970 -3.353 1.816 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.434 -2.813 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.162 -4.170 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.649 -3.764 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.002 -5.303 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.545 -5.732 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.380 -6.189 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.354 -7.407 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.726 -7.159 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.739 -5.929 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.125 -8.082 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.524 -7.549 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.542 -8.741 3.434 1.00 0.00 H new ATOM 546 N GLY A 37 -15.373 -0.643 1.459 1.00 0.00 N ATOM 547 CA GLY A 37 -15.164 0.680 1.972 1.00 0.00 C ATOM 548 C GLY A 37 -16.391 1.516 1.853 1.00 0.00 C ATOM 549 O GLY A 37 -17.437 1.034 1.366 1.00 0.00 O ATOM 0 H GLY A 37 -16.014 -0.689 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.863 0.622 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.346 1.155 1.431 1.00 0.00 H new ATOM 553 N LEU A 38 -16.327 2.702 2.385 1.00 0.00 N ATOM 554 CA LEU A 38 -17.400 3.662 2.274 1.00 0.00 C ATOM 555 C LEU A 38 -17.479 4.136 0.814 1.00 0.00 C ATOM 556 O LEU A 38 -16.594 3.832 0.008 1.00 0.00 O ATOM 557 CB LEU A 38 -17.132 4.846 3.204 1.00 0.00 C ATOM 558 CG LEU A 38 -16.955 4.507 4.688 1.00 0.00 C ATOM 559 CD1 LEU A 38 -16.659 5.759 5.489 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.187 3.799 5.229 1.00 0.00 C ATOM 0 H LEU A 38 -15.523 3.039 2.914 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.347 3.206 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.234 5.358 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.957 5.552 3.109 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.106 3.831 4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.537 5.498 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.742 6.219 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.485 6.462 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.040 3.568 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.057 4.446 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.349 2.875 4.674 1.00 0.00 H new ATOM 572 N THR A 39 -18.514 4.854 0.458 1.00 0.00 N ATOM 573 CA THR A 39 -18.664 5.242 -0.932 1.00 0.00 C ATOM 574 C THR A 39 -17.722 6.407 -1.313 1.00 0.00 C ATOM 575 O THR A 39 -17.956 7.528 -0.933 1.00 0.00 O ATOM 576 CB THR A 39 -20.175 5.653 -1.173 1.00 0.00 C ATOM 577 OG1 THR A 39 -20.361 6.413 -2.366 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.769 6.414 0.008 1.00 0.00 C ATOM 0 H THR A 39 -19.249 5.177 1.087 1.00 0.00 H new ATOM 0 HA THR A 39 -18.391 4.398 -1.565 1.00 0.00 H new ATOM 0 HB THR A 39 -20.706 4.708 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.310 6.638 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.806 6.672 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 39 -20.730 5.789 0.900 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.197 7.326 0.178 1.00 0.00 H new ATOM 586 N GLU A 40 -16.687 6.072 -2.014 1.00 0.00 N ATOM 587 CA GLU A 40 -15.732 6.933 -2.681 1.00 0.00 C ATOM 588 C GLU A 40 -14.813 6.002 -3.355 1.00 0.00 C ATOM 589 O GLU A 40 -14.894 4.799 -3.100 1.00 0.00 O ATOM 590 CB GLU A 40 -14.906 7.887 -1.773 1.00 0.00 C ATOM 591 CG GLU A 40 -15.586 9.192 -1.374 1.00 0.00 C ATOM 592 CD GLU A 40 -16.123 9.957 -2.565 1.00 0.00 C ATOM 593 OE1 GLU A 40 -15.345 10.324 -3.471 1.00 0.00 O ATOM 594 OE2 GLU A 40 -17.345 10.181 -2.636 1.00 0.00 O ATOM 0 H GLU A 40 -16.456 5.089 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.282 7.613 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.638 7.348 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.975 8.129 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.404 8.976 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.875 9.818 -0.835 1.00 0.00 H new ATOM 601 N GLY A 41 -13.980 6.467 -4.150 1.00 0.00 N ATOM 602 CA GLY A 41 -12.921 5.607 -4.551 1.00 0.00 C ATOM 603 C GLY A 41 -12.271 6.007 -5.797 1.00 0.00 C ATOM 604 O GLY A 41 -12.904 6.013 -6.859 1.00 0.00 O ATOM 0 H GLY A 41 -13.980 7.407 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.174 5.573 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.311 4.596 -4.665 1.00 0.00 H new ATOM 608 N LEU A 42 -11.023 6.357 -5.687 1.00 0.00 N ATOM 609 CA LEU A 42 -10.276 6.762 -6.823 1.00 0.00 C ATOM 610 C LEU A 42 -9.069 5.831 -7.048 1.00 0.00 C ATOM 611 O LEU A 42 -9.173 4.846 -7.771 1.00 0.00 O ATOM 612 CB LEU A 42 -9.840 8.230 -6.685 1.00 0.00 C ATOM 613 CG LEU A 42 -10.925 9.337 -6.678 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.852 9.237 -7.880 1.00 0.00 C ATOM 615 CD2 LEU A 42 -11.703 9.401 -5.363 1.00 0.00 C ATOM 0 H LEU A 42 -10.504 6.367 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.915 6.685 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.272 8.319 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.153 8.448 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.389 10.283 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.596 10.032 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.271 9.337 -8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.354 8.270 -7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.448 10.195 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.201 8.448 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.015 9.606 -4.543 1.00 0.00 H new ATOM 627 N HIS A 43 -7.957 6.112 -6.380 1.00 0.00 N ATOM 628 CA HIS A 43 -6.711 5.323 -6.484 1.00 0.00 C ATOM 629 C HIS A 43 -5.818 5.665 -5.322 1.00 0.00 C ATOM 630 O HIS A 43 -5.478 6.816 -5.152 1.00 0.00 O ATOM 631 CB HIS A 43 -5.932 5.659 -7.758 1.00 0.00 C ATOM 632 CG HIS A 43 -6.383 5.014 -9.024 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.953 5.707 -10.052 1.00 0.00 N ATOM 634 CD2 HIS A 43 -6.285 3.736 -9.449 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.186 4.895 -11.049 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.791 3.694 -10.713 1.00 0.00 N ATOM 0 H HIS A 43 -7.882 6.902 -5.739 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.990 4.269 -6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.965 6.739 -7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.888 5.391 -7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.881 2.904 -8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.631 5.170 -11.994 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.852 2.863 -11.301 1.00 0.00 H new ATOM 645 N GLY A 44 -5.421 4.697 -4.538 1.00 0.00 N ATOM 646 CA GLY A 44 -4.593 5.025 -3.413 1.00 0.00 C ATOM 647 C GLY A 44 -3.533 4.015 -3.076 1.00 0.00 C ATOM 648 O GLY A 44 -3.828 2.941 -2.500 1.00 0.00 O ATOM 0 H GLY A 44 -5.648 3.709 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.110 5.983 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.232 5.161 -2.540 1.00 0.00 H new ATOM 652 N PHE A 45 -2.298 4.340 -3.418 1.00 0.00 N ATOM 653 CA PHE A 45 -1.166 3.581 -2.969 1.00 0.00 C ATOM 654 C PHE A 45 -0.993 3.764 -1.480 1.00 0.00 C ATOM 655 O PHE A 45 -0.396 4.833 -0.932 1.00 0.00 O ATOM 656 CB PHE A 45 0.150 3.948 -3.672 1.00 0.00 C ATOM 657 CG PHE A 45 0.403 3.260 -4.981 1.00 0.00 C ATOM 658 CD1 PHE A 45 0.574 1.885 -5.023 1.00 0.00 C ATOM 659 CD2 PHE A 45 0.516 3.980 -6.154 1.00 0.00 C ATOM 660 CE1 PHE A 45 0.847 1.242 -6.210 1.00 0.00 C ATOM 661 CE2 PHE A 45 0.787 3.341 -7.348 1.00 0.00 C ATOM 662 CZ PHE A 45 0.951 1.969 -7.373 1.00 0.00 C ATOM 0 H PHE A 45 -2.063 5.135 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.379 2.542 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.162 5.025 -3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.976 3.721 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.492 1.310 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.391 5.053 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.979 0.170 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.871 3.913 -8.261 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.161 1.467 -8.306 1.00 0.00 H new ATOM 672 N HIS A 46 -1.543 2.840 -0.758 1.00 0.00 N ATOM 673 CA HIS A 46 -1.387 2.822 0.637 1.00 0.00 C ATOM 674 C HIS A 46 -0.060 2.148 0.926 1.00 0.00 C ATOM 675 O HIS A 46 0.010 1.148 1.575 1.00 0.00 O ATOM 676 CB HIS A 46 -2.577 1.990 1.186 1.00 0.00 C ATOM 677 CG HIS A 46 -2.862 0.682 0.427 1.00 0.00 C ATOM 678 ND1 HIS A 46 -3.577 0.627 -0.770 1.00 0.00 N ATOM 679 CD2 HIS A 46 -2.458 -0.573 0.658 1.00 0.00 C ATOM 680 CE1 HIS A 46 -3.570 -0.620 -1.215 1.00 0.00 C ATOM 681 NE2 HIS A 46 -2.894 -1.362 -0.368 1.00 0.00 N ATOM 0 H HIS A 46 -2.112 2.081 -1.133 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.384 3.811 1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.382 1.751 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.474 2.608 1.163 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.031 1.418 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.885 -0.905 1.511 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.041 -0.969 -2.122 1.00 0.00 H new ATOM 690 N VAL A 47 0.927 2.954 0.724 1.00 0.00 N ATOM 691 CA VAL A 47 2.314 2.633 0.745 1.00 0.00 C ATOM 692 C VAL A 47 3.004 3.272 1.944 1.00 0.00 C ATOM 693 O VAL A 47 3.379 4.445 1.906 1.00 0.00 O ATOM 694 CB VAL A 47 2.954 3.117 -0.655 1.00 0.00 C ATOM 695 CG1 VAL A 47 2.647 4.579 -0.973 1.00 0.00 C ATOM 696 CG2 VAL A 47 4.438 2.919 -0.736 1.00 0.00 C ATOM 0 H VAL A 47 0.769 3.941 0.522 1.00 0.00 H new ATOM 0 HA VAL A 47 2.456 1.558 0.854 1.00 0.00 H new ATOM 0 HB VAL A 47 2.475 2.475 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.103 4.848 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.568 4.719 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.051 5.215 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.799 3.266 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.925 3.486 0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.671 1.860 -0.621 1.00 0.00 H new ATOM 706 N HIS A 48 3.070 2.552 3.045 1.00 0.00 N ATOM 707 CA HIS A 48 3.800 3.038 4.192 1.00 0.00 C ATOM 708 C HIS A 48 4.619 1.995 4.900 1.00 0.00 C ATOM 709 O HIS A 48 4.419 0.781 4.742 1.00 0.00 O ATOM 710 CB HIS A 48 2.981 3.877 5.157 1.00 0.00 C ATOM 711 CG HIS A 48 2.895 5.321 4.757 1.00 0.00 C ATOM 712 ND1 HIS A 48 3.950 6.179 4.850 1.00 0.00 N ATOM 713 CD2 HIS A 48 1.873 6.054 4.287 1.00 0.00 C ATOM 714 CE1 HIS A 48 3.594 7.366 4.466 1.00 0.00 C ATOM 715 NE2 HIS A 48 2.324 7.336 4.117 1.00 0.00 N ATOM 0 H HIS A 48 2.632 1.639 3.167 1.00 0.00 H new ATOM 0 HA HIS A 48 4.518 3.724 3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.974 3.464 5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.420 3.808 6.152 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.883 5.925 5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.875 5.697 4.080 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.234 8.236 4.437 1.00 0.00 H new ATOM 724 N GLU A 49 5.548 2.507 5.628 1.00 0.00 N ATOM 725 CA GLU A 49 6.560 1.806 6.344 1.00 0.00 C ATOM 726 C GLU A 49 6.196 1.421 7.729 1.00 0.00 C ATOM 727 O GLU A 49 5.136 1.752 8.231 1.00 0.00 O ATOM 728 CB GLU A 49 7.804 2.640 6.475 1.00 0.00 C ATOM 729 CG GLU A 49 7.593 4.025 7.082 1.00 0.00 C ATOM 730 CD GLU A 49 7.282 5.041 6.037 1.00 0.00 C ATOM 731 OE1 GLU A 49 6.141 5.083 5.565 1.00 0.00 O ATOM 732 OE2 GLU A 49 8.189 5.759 5.624 1.00 0.00 O ATOM 0 H GLU A 49 5.627 3.517 5.749 1.00 0.00 H new ATOM 0 HA GLU A 49 6.707 0.904 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.524 2.097 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.250 2.757 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.779 3.985 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.489 4.325 7.626 1.00 0.00 H new ATOM 739 N PHE A 50 7.124 0.644 8.273 1.00 0.00 N ATOM 740 CA PHE A 50 7.250 0.280 9.670 1.00 0.00 C ATOM 741 C PHE A 50 5.975 -0.179 10.336 1.00 0.00 C ATOM 742 O PHE A 50 5.080 0.612 10.648 1.00 0.00 O ATOM 743 CB PHE A 50 7.924 1.412 10.466 1.00 0.00 C ATOM 744 CG PHE A 50 8.310 1.037 11.876 1.00 0.00 C ATOM 745 CD1 PHE A 50 9.479 0.332 12.118 1.00 0.00 C ATOM 746 CD2 PHE A 50 7.517 1.392 12.951 1.00 0.00 C ATOM 747 CE1 PHE A 50 9.845 -0.007 13.404 1.00 0.00 C ATOM 748 CE2 PHE A 50 7.876 1.056 14.238 1.00 0.00 C ATOM 749 CZ PHE A 50 9.042 0.355 14.466 1.00 0.00 C ATOM 0 H PHE A 50 7.859 0.224 7.704 1.00 0.00 H new ATOM 0 HA PHE A 50 7.889 -0.603 9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.817 1.734 9.931 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.248 2.267 10.502 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.110 0.045 11.290 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.603 1.941 12.780 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.759 -0.555 13.579 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.245 1.341 15.067 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.326 0.090 15.474 1.00 0.00 H new ATOM 759 N GLY A 51 5.908 -1.464 10.497 1.00 0.00 N ATOM 760 CA GLY A 51 4.844 -2.116 11.275 1.00 0.00 C ATOM 761 C GLY A 51 4.510 -1.450 12.593 1.00 0.00 C ATOM 762 O GLY A 51 5.241 -1.598 13.585 1.00 0.00 O ATOM 0 H GLY A 51 6.585 -2.115 10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.941 -2.153 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.139 -3.147 11.471 1.00 0.00 H new ATOM 766 N ASP A 52 3.400 -0.730 12.597 1.00 0.00 N ATOM 767 CA ASP A 52 2.921 -0.007 13.754 1.00 0.00 C ATOM 768 C ASP A 52 1.643 -0.727 14.216 1.00 0.00 C ATOM 769 O ASP A 52 1.425 -1.888 13.844 1.00 0.00 O ATOM 770 CB ASP A 52 2.612 1.455 13.336 1.00 0.00 C ATOM 771 CG ASP A 52 2.617 2.473 14.475 1.00 0.00 C ATOM 772 OD1 ASP A 52 2.085 2.191 15.570 1.00 0.00 O ATOM 773 OD2 ASP A 52 3.169 3.581 14.274 1.00 0.00 O ATOM 0 H ASP A 52 2.799 -0.633 11.779 1.00 0.00 H new ATOM 0 HA ASP A 52 3.654 0.020 14.560 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.344 1.765 12.590 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.635 1.479 12.853 1.00 0.00 H new ATOM 778 N ASN A 53 0.820 -0.072 14.994 1.00 0.00 N ATOM 779 CA ASN A 53 -0.426 -0.650 15.510 1.00 0.00 C ATOM 780 C ASN A 53 -1.411 -0.885 14.359 1.00 0.00 C ATOM 781 O ASN A 53 -1.560 -0.037 13.483 1.00 0.00 O ATOM 782 CB ASN A 53 -1.022 0.289 16.606 1.00 0.00 C ATOM 783 CG ASN A 53 -2.345 -0.179 17.251 1.00 0.00 C ATOM 784 OD1 ASN A 53 -3.196 -0.786 16.623 1.00 0.00 O ATOM 785 ND2 ASN A 53 -2.509 0.105 18.513 1.00 0.00 N ATOM 0 H ASN A 53 0.984 0.888 15.299 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.225 -1.617 15.970 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.280 0.411 17.395 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.184 1.273 16.165 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.362 -0.182 18.994 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.784 0.614 19.020 1.00 0.00 H new ATOM 792 N THR A 54 -2.089 -2.028 14.384 1.00 0.00 N ATOM 793 CA THR A 54 -3.019 -2.439 13.339 1.00 0.00 C ATOM 794 C THR A 54 -4.167 -1.438 13.120 1.00 0.00 C ATOM 795 O THR A 54 -4.798 -1.452 12.081 1.00 0.00 O ATOM 796 CB THR A 54 -3.607 -3.860 13.611 1.00 0.00 C ATOM 797 OG1 THR A 54 -4.399 -4.289 12.492 1.00 0.00 O ATOM 798 CG2 THR A 54 -4.469 -3.882 14.875 1.00 0.00 C ATOM 0 H THR A 54 -2.006 -2.705 15.143 1.00 0.00 H new ATOM 0 HA THR A 54 -2.427 -2.466 12.424 1.00 0.00 H new ATOM 0 HB THR A 54 -2.767 -4.539 13.756 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.684 -3.507 11.974 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.860 -4.887 15.031 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.864 -3.591 15.733 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.298 -3.183 14.762 1.00 0.00 H new ATOM 806 N ALA A 55 -4.457 -0.612 14.095 1.00 0.00 N ATOM 807 CA ALA A 55 -5.497 0.365 13.926 1.00 0.00 C ATOM 808 C ALA A 55 -4.950 1.771 14.060 1.00 0.00 C ATOM 809 O ALA A 55 -5.711 2.745 14.037 1.00 0.00 O ATOM 810 CB ALA A 55 -6.622 0.127 14.915 1.00 0.00 C ATOM 0 H ALA A 55 -3.992 -0.598 15.003 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.900 0.258 12.919 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.399 0.878 14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.043 -0.866 14.756 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.234 0.198 15.931 1.00 0.00 H new ATOM 816 N GLY A 56 -3.638 1.900 14.164 1.00 0.00 N ATOM 817 CA GLY A 56 -3.070 3.204 14.321 1.00 0.00 C ATOM 818 C GLY A 56 -1.696 3.278 13.742 1.00 0.00 C ATOM 819 O GLY A 56 -0.763 2.676 14.240 1.00 0.00 O ATOM 0 H GLY A 56 -2.969 1.130 14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.710 3.941 13.836 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.034 3.461 15.380 1.00 0.00 H new ATOM 823 N CYS A 57 -1.586 3.972 12.676 1.00 0.00 N ATOM 824 CA CYS A 57 -0.353 4.159 12.009 1.00 0.00 C ATOM 825 C CYS A 57 0.276 5.478 12.365 1.00 0.00 C ATOM 826 O CYS A 57 -0.044 6.507 11.771 1.00 0.00 O ATOM 827 CB CYS A 57 -0.540 3.997 10.512 1.00 0.00 C ATOM 828 SG CYS A 57 -1.988 4.862 9.792 1.00 0.00 S ATOM 0 H CYS A 57 -2.373 4.441 12.228 1.00 0.00 H new ATOM 0 HA CYS A 57 0.343 3.390 12.345 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.360 4.355 10.011 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.627 2.934 10.288 1.00 0.00 H new ATOM 833 N THR A 58 1.062 5.481 13.395 1.00 0.00 N ATOM 834 CA THR A 58 1.779 6.653 13.780 1.00 0.00 C ATOM 835 C THR A 58 3.036 6.809 12.907 1.00 0.00 C ATOM 836 O THR A 58 3.226 7.820 12.227 1.00 0.00 O ATOM 837 CB THR A 58 2.134 6.576 15.268 1.00 0.00 C ATOM 838 OG1 THR A 58 0.933 6.247 16.000 1.00 0.00 O ATOM 839 CG2 THR A 58 2.667 7.909 15.764 1.00 0.00 C ATOM 0 H THR A 58 1.224 4.670 13.992 1.00 0.00 H new ATOM 0 HA THR A 58 1.155 7.533 13.627 1.00 0.00 H new ATOM 0 HB THR A 58 2.904 5.819 15.417 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.138 6.191 16.957 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.913 7.831 16.823 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.563 8.174 15.202 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.909 8.679 15.623 1.00 0.00 H new ATOM 847 N SER A 59 3.832 5.764 12.881 1.00 0.00 N ATOM 848 CA SER A 59 5.110 5.743 12.186 1.00 0.00 C ATOM 849 C SER A 59 4.917 5.729 10.671 1.00 0.00 C ATOM 850 O SER A 59 5.647 6.388 9.912 1.00 0.00 O ATOM 851 CB SER A 59 5.860 4.510 12.648 1.00 0.00 C ATOM 852 OG SER A 59 5.765 4.395 14.071 1.00 0.00 O ATOM 0 H SER A 59 3.610 4.886 13.350 1.00 0.00 H new ATOM 0 HA SER A 59 5.678 6.644 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.446 3.621 12.173 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.906 4.574 12.347 1.00 0.00 H new ATOM 0 HG SER A 59 4.915 3.969 14.309 1.00 0.00 H new ATOM 858 N ALA A 60 3.931 4.979 10.273 1.00 0.00 N ATOM 859 CA ALA A 60 3.470 4.866 8.915 1.00 0.00 C ATOM 860 C ALA A 60 2.643 6.093 8.501 1.00 0.00 C ATOM 861 O ALA A 60 2.169 6.147 7.400 1.00 0.00 O ATOM 862 CB ALA A 60 2.665 3.596 8.757 1.00 0.00 C ATOM 0 H ALA A 60 3.397 4.398 10.919 1.00 0.00 H new ATOM 0 HA ALA A 60 4.337 4.823 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.316 3.512 7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.290 2.737 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.807 3.623 9.429 1.00 0.00 H new ATOM 868 N GLY A 61 2.376 6.987 9.441 1.00 0.00 N ATOM 869 CA GLY A 61 1.613 8.221 9.184 1.00 0.00 C ATOM 870 C GLY A 61 2.204 9.150 8.082 1.00 0.00 C ATOM 871 O GLY A 61 2.686 8.696 7.044 1.00 0.00 O ATOM 0 H GLY A 61 2.679 6.886 10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.597 7.948 8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.543 8.786 10.114 1.00 0.00 H new ATOM 875 N PRO A 62 2.134 10.478 8.257 1.00 0.00 N ATOM 876 CA PRO A 62 2.649 11.450 7.261 1.00 0.00 C ATOM 877 C PRO A 62 4.187 11.534 7.315 1.00 0.00 C ATOM 878 O PRO A 62 4.779 12.610 7.397 1.00 0.00 O ATOM 879 CB PRO A 62 2.035 12.757 7.746 1.00 0.00 C ATOM 880 CG PRO A 62 1.975 12.588 9.214 1.00 0.00 C ATOM 881 CD PRO A 62 1.600 11.156 9.446 1.00 0.00 C ATOM 0 HA PRO A 62 2.400 11.191 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.646 13.615 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.045 12.917 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.936 12.820 9.674 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.240 13.261 9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.040 10.767 10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.521 11.030 9.532 1.00 0.00 H new ATOM 889 N HIS A 63 4.783 10.407 7.200 1.00 0.00 N ATOM 890 CA HIS A 63 6.191 10.213 7.236 1.00 0.00 C ATOM 891 C HIS A 63 6.509 9.154 6.223 1.00 0.00 C ATOM 892 O HIS A 63 5.881 8.114 6.232 1.00 0.00 O ATOM 893 CB HIS A 63 6.595 9.748 8.658 1.00 0.00 C ATOM 894 CG HIS A 63 7.923 9.052 8.749 1.00 0.00 C ATOM 895 ND1 HIS A 63 8.031 7.713 9.027 1.00 0.00 N ATOM 896 CD2 HIS A 63 9.183 9.504 8.578 1.00 0.00 C ATOM 897 CE1 HIS A 63 9.295 7.370 9.019 1.00 0.00 C ATOM 898 NE2 HIS A 63 10.016 8.437 8.748 1.00 0.00 N ATOM 0 H HIS A 63 4.270 9.535 7.069 1.00 0.00 H new ATOM 0 HA HIS A 63 6.736 11.129 7.008 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.612 10.617 9.316 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.824 9.077 9.036 1.00 0.00 H new ATOM 0 HD1 HIS A 63 7.250 7.084 9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.476 10.518 8.350 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.681 6.378 9.204 1.00 0.00 H new ATOM 907 N PHE A 64 7.437 9.415 5.355 1.00 0.00 N ATOM 908 CA PHE A 64 7.812 8.431 4.372 1.00 0.00 C ATOM 909 C PHE A 64 9.318 8.398 4.165 1.00 0.00 C ATOM 910 O PHE A 64 9.989 9.427 4.241 1.00 0.00 O ATOM 911 CB PHE A 64 7.053 8.608 3.032 1.00 0.00 C ATOM 912 CG PHE A 64 7.276 9.917 2.319 1.00 0.00 C ATOM 913 CD1 PHE A 64 6.508 11.031 2.624 1.00 0.00 C ATOM 914 CD2 PHE A 64 8.243 10.026 1.328 1.00 0.00 C ATOM 915 CE1 PHE A 64 6.703 12.225 1.959 1.00 0.00 C ATOM 916 CE2 PHE A 64 8.438 11.215 0.662 1.00 0.00 C ATOM 917 CZ PHE A 64 7.669 12.313 0.977 1.00 0.00 C ATOM 0 H PHE A 64 7.950 10.295 5.302 1.00 0.00 H new ATOM 0 HA PHE A 64 7.511 7.462 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.342 7.798 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.986 8.498 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.749 10.964 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.849 9.168 1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.102 13.087 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.193 11.287 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.822 13.246 0.454 1.00 0.00 H new ATOM 927 N ASN A 65 9.831 7.208 3.926 1.00 0.00 N ATOM 928 CA ASN A 65 11.264 6.961 3.686 1.00 0.00 C ATOM 929 C ASN A 65 11.710 7.545 2.356 1.00 0.00 C ATOM 930 O ASN A 65 10.968 7.484 1.367 1.00 0.00 O ATOM 931 CB ASN A 65 11.488 5.456 3.641 1.00 0.00 C ATOM 932 CG ASN A 65 12.922 5.017 3.448 1.00 0.00 C ATOM 933 OD1 ASN A 65 13.379 4.863 2.328 1.00 0.00 O ATOM 934 ND2 ASN A 65 13.620 4.779 4.524 1.00 0.00 N ATOM 0 H ASN A 65 9.264 6.361 3.890 1.00 0.00 H new ATOM 0 HA ASN A 65 11.837 7.431 4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.116 5.023 4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.887 5.041 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.583 4.452 4.445 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.203 4.920 5.444 1.00 0.00 H new ATOM 941 N PRO A 66 12.943 8.068 2.294 1.00 0.00 N ATOM 942 CA PRO A 66 13.482 8.690 1.093 1.00 0.00 C ATOM 943 C PRO A 66 13.775 7.741 -0.092 1.00 0.00 C ATOM 944 O PRO A 66 13.935 8.235 -1.217 1.00 0.00 O ATOM 945 CB PRO A 66 14.786 9.339 1.574 1.00 0.00 C ATOM 946 CG PRO A 66 15.184 8.536 2.756 1.00 0.00 C ATOM 947 CD PRO A 66 13.903 8.163 3.426 1.00 0.00 C ATOM 0 HA PRO A 66 12.741 9.374 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.552 9.312 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.635 10.386 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.745 7.650 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.825 9.111 3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.989 7.218 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.595 8.914 4.153 1.00 0.00 H new ATOM 955 N LEU A 67 13.831 6.385 0.097 1.00 0.00 N ATOM 956 CA LEU A 67 14.193 5.562 -1.041 1.00 0.00 C ATOM 957 C LEU A 67 13.084 5.546 -2.096 1.00 0.00 C ATOM 958 O LEU A 67 13.357 5.459 -3.311 1.00 0.00 O ATOM 959 CB LEU A 67 14.548 4.145 -0.593 1.00 0.00 C ATOM 960 CG LEU A 67 15.717 4.026 0.394 1.00 0.00 C ATOM 961 CD1 LEU A 67 15.910 2.587 0.811 1.00 0.00 C ATOM 962 CD2 LEU A 67 17.003 4.591 -0.202 1.00 0.00 C ATOM 0 H LEU A 67 13.641 5.892 0.970 1.00 0.00 H new ATOM 0 HA LEU A 67 15.076 6.003 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.665 3.698 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.783 3.553 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 67 15.473 4.615 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.743 2.520 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.002 2.222 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.125 1.979 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 17.813 4.492 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 67 17.256 4.041 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 67 16.860 5.644 -0.445 1.00 0.00 H new ATOM 974 N SER A 68 11.853 5.709 -1.619 1.00 0.00 N ATOM 975 CA SER A 68 10.601 5.599 -2.408 1.00 0.00 C ATOM 976 C SER A 68 10.539 6.487 -3.650 1.00 0.00 C ATOM 977 O SER A 68 9.880 6.144 -4.670 1.00 0.00 O ATOM 978 CB SER A 68 9.431 5.976 -1.490 1.00 0.00 C ATOM 979 OG SER A 68 9.619 7.273 -0.922 1.00 0.00 O ATOM 0 H SER A 68 11.679 5.930 -0.638 1.00 0.00 H new ATOM 0 HA SER A 68 10.555 4.572 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.500 5.955 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.337 5.237 -0.694 1.00 0.00 H new ATOM 0 HG SER A 68 10.220 7.208 -0.151 1.00 0.00 H new ATOM 985 N ARG A 69 11.343 7.506 -3.626 1.00 0.00 N ATOM 986 CA ARG A 69 11.195 8.654 -4.474 1.00 0.00 C ATOM 987 C ARG A 69 11.511 8.354 -5.920 1.00 0.00 C ATOM 988 O ARG A 69 11.010 9.011 -6.800 1.00 0.00 O ATOM 989 CB ARG A 69 12.084 9.786 -3.947 1.00 0.00 C ATOM 990 CG ARG A 69 11.860 11.132 -4.614 1.00 0.00 C ATOM 991 CD ARG A 69 12.811 12.190 -4.078 1.00 0.00 C ATOM 992 NE ARG A 69 12.719 12.356 -2.613 1.00 0.00 N ATOM 993 CZ ARG A 69 12.640 13.542 -1.980 1.00 0.00 C ATOM 994 NH1 ARG A 69 12.475 14.666 -2.688 1.00 0.00 N ATOM 995 NH2 ARG A 69 12.686 13.600 -0.639 1.00 0.00 N ATOM 0 H ARG A 69 12.145 7.565 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 69 10.149 8.959 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.914 9.894 -2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 69 13.128 9.500 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.997 11.032 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.831 11.452 -4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.833 11.921 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.596 13.143 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 69 12.715 11.512 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.409 14.623 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.415 15.565 -2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.781 12.743 -0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.626 14.501 -0.165 1.00 0.00 H new ATOM 1009 N LYS A 70 12.229 7.302 -6.185 1.00 0.00 N ATOM 1010 CA LYS A 70 12.620 7.039 -7.555 1.00 0.00 C ATOM 1011 C LYS A 70 11.428 6.663 -8.453 1.00 0.00 C ATOM 1012 O LYS A 70 11.544 6.653 -9.679 1.00 0.00 O ATOM 1013 CB LYS A 70 13.733 6.024 -7.624 1.00 0.00 C ATOM 1014 CG LYS A 70 15.045 6.529 -7.078 1.00 0.00 C ATOM 1015 CD LYS A 70 16.102 5.444 -7.078 1.00 0.00 C ATOM 1016 CE LYS A 70 17.461 6.014 -6.738 1.00 0.00 C ATOM 1017 NZ LYS A 70 17.920 6.961 -7.772 1.00 0.00 N ATOM 0 H LYS A 70 12.553 6.623 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 70 13.009 7.974 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.437 5.134 -7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.873 5.721 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.388 7.373 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.900 6.897 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.836 4.672 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.138 4.966 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.414 6.520 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.183 5.203 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.876 6.696 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.269 6.932 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.939 7.923 -7.378 1.00 0.00 H new ATOM 1031 N HIS A 71 10.291 6.389 -7.851 1.00 0.00 N ATOM 1032 CA HIS A 71 9.087 6.085 -8.593 1.00 0.00 C ATOM 1033 C HIS A 71 7.848 6.478 -7.812 1.00 0.00 C ATOM 1034 O HIS A 71 6.945 7.100 -8.349 1.00 0.00 O ATOM 1035 CB HIS A 71 9.030 4.596 -8.964 1.00 0.00 C ATOM 1036 CG HIS A 71 9.169 4.297 -10.433 1.00 0.00 C ATOM 1037 ND1 HIS A 71 10.235 4.707 -11.196 1.00 0.00 N ATOM 1038 CD2 HIS A 71 8.371 3.589 -11.268 1.00 0.00 C ATOM 1039 CE1 HIS A 71 10.092 4.267 -12.425 1.00 0.00 C ATOM 1040 NE2 HIS A 71 8.970 3.578 -12.499 1.00 0.00 N ATOM 0 H HIS A 71 10.175 6.371 -6.838 1.00 0.00 H new ATOM 0 HA HIS A 71 9.113 6.670 -9.512 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.821 4.073 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.082 4.187 -8.614 1.00 0.00 H new ATOM 0 HD1 HIS A 71 11.018 5.268 -10.859 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.434 3.119 -11.010 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.779 4.441 -13.240 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.609 3.115 -13.333 1.00 0.00 H new ATOM 1049 N GLY A 72 7.812 6.146 -6.533 1.00 0.00 N ATOM 1050 CA GLY A 72 6.598 6.362 -5.770 1.00 0.00 C ATOM 1051 C GLY A 72 5.664 5.200 -5.995 1.00 0.00 C ATOM 1052 O GLY A 72 4.478 5.232 -5.653 1.00 0.00 O ATOM 0 H GLY A 72 8.588 5.736 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.832 6.457 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.121 7.293 -6.076 1.00 0.00 H new ATOM 1056 N GLY A 73 6.219 4.202 -6.617 1.00 0.00 N ATOM 1057 CA GLY A 73 5.563 2.998 -6.908 1.00 0.00 C ATOM 1058 C GLY A 73 6.602 1.890 -6.945 1.00 0.00 C ATOM 1059 O GLY A 73 7.726 2.118 -7.426 1.00 0.00 O ATOM 0 H GLY A 73 7.185 4.224 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.806 2.785 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.047 3.068 -7.866 1.00 0.00 H new ATOM 1063 N PRO A 74 6.265 0.688 -6.495 1.00 0.00 N ATOM 1064 CA PRO A 74 7.192 -0.457 -6.379 1.00 0.00 C ATOM 1065 C PRO A 74 7.485 -1.102 -7.722 1.00 0.00 C ATOM 1066 O PRO A 74 8.236 -2.065 -7.817 1.00 0.00 O ATOM 1067 CB PRO A 74 6.433 -1.428 -5.466 1.00 0.00 C ATOM 1068 CG PRO A 74 5.300 -0.636 -4.949 1.00 0.00 C ATOM 1069 CD PRO A 74 4.954 0.301 -6.041 1.00 0.00 C ATOM 0 HA PRO A 74 8.167 -0.160 -5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.088 -2.303 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.067 -1.790 -4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.455 -1.276 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.576 -0.099 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.370 -0.179 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.372 1.152 -5.686 1.00 0.00 H new ATOM 1077 N LYS A 75 6.880 -0.543 -8.736 1.00 0.00 N ATOM 1078 CA LYS A 75 7.025 -0.952 -10.117 1.00 0.00 C ATOM 1079 C LYS A 75 8.485 -0.946 -10.551 1.00 0.00 C ATOM 1080 O LYS A 75 8.884 -1.708 -11.434 1.00 0.00 O ATOM 1081 CB LYS A 75 6.222 0.028 -10.982 1.00 0.00 C ATOM 1082 CG LYS A 75 6.327 -0.188 -12.478 1.00 0.00 C ATOM 1083 CD LYS A 75 5.457 0.796 -13.251 1.00 0.00 C ATOM 1084 CE LYS A 75 3.970 0.572 -12.984 1.00 0.00 C ATOM 1085 NZ LYS A 75 3.539 -0.799 -13.342 1.00 0.00 N ATOM 0 H LYS A 75 6.243 0.246 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 75 6.656 -1.971 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.172 -0.037 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.552 1.042 -10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.366 -0.078 -12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.027 -1.208 -12.721 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.726 1.815 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.654 0.694 -14.318 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.760 0.754 -11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.387 1.295 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.501 -0.852 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.880 -1.032 -14.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.933 -1.476 -12.658 1.00 0.00 H new ATOM 1099 N ASP A 76 9.289 -0.125 -9.899 1.00 0.00 N ATOM 1100 CA ASP A 76 10.689 -0.026 -10.256 1.00 0.00 C ATOM 1101 C ASP A 76 11.574 0.295 -9.082 1.00 0.00 C ATOM 1102 O ASP A 76 12.039 -0.606 -8.386 1.00 0.00 O ATOM 1103 CB ASP A 76 10.973 0.992 -11.387 1.00 0.00 C ATOM 1104 CG ASP A 76 10.565 0.547 -12.776 1.00 0.00 C ATOM 1105 OD1 ASP A 76 11.272 -0.292 -13.371 1.00 0.00 O ATOM 1106 OD2 ASP A 76 9.557 1.079 -13.325 1.00 0.00 O ATOM 0 H ASP A 76 8.999 0.476 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 76 10.931 -1.023 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.455 1.922 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.040 1.215 -11.393 1.00 0.00 H new ATOM 1111 N GLU A 77 11.728 1.581 -8.780 1.00 0.00 N ATOM 1112 CA GLU A 77 12.672 1.989 -7.815 1.00 0.00 C ATOM 1113 C GLU A 77 11.948 2.758 -6.778 1.00 0.00 C ATOM 1114 O GLU A 77 11.435 3.838 -7.016 1.00 0.00 O ATOM 1115 CB GLU A 77 13.777 2.813 -8.460 1.00 0.00 C ATOM 1116 CG GLU A 77 14.533 2.093 -9.563 1.00 0.00 C ATOM 1117 CD GLU A 77 15.599 2.948 -10.182 1.00 0.00 C ATOM 1118 OE1 GLU A 77 15.271 3.862 -10.956 1.00 0.00 O ATOM 1119 OE2 GLU A 77 16.791 2.709 -9.928 1.00 0.00 O ATOM 0 H GLU A 77 11.196 2.340 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 77 13.156 1.125 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.342 3.725 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.485 3.116 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.987 1.189 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.831 1.778 -10.335 1.00 0.00 H new ATOM 1126 N GLU A 78 11.875 2.183 -5.671 1.00 0.00 N ATOM 1127 CA GLU A 78 11.133 2.683 -4.603 1.00 0.00 C ATOM 1128 C GLU A 78 11.881 2.175 -3.392 1.00 0.00 C ATOM 1129 O GLU A 78 12.413 2.910 -2.653 1.00 0.00 O ATOM 1130 CB GLU A 78 9.681 2.116 -4.743 1.00 0.00 C ATOM 1131 CG GLU A 78 8.545 2.948 -4.129 1.00 0.00 C ATOM 1132 CD GLU A 78 8.432 2.825 -2.651 1.00 0.00 C ATOM 1133 OE1 GLU A 78 9.448 2.896 -1.974 1.00 0.00 O ATOM 1134 OE2 GLU A 78 7.334 2.594 -2.140 1.00 0.00 O ATOM 0 H GLU A 78 12.352 1.305 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 78 11.031 3.767 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.469 1.985 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.659 1.125 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.698 3.996 -4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.601 2.644 -4.581 1.00 0.00 H new ATOM 1141 N ARG A 79 11.974 0.881 -3.270 1.00 0.00 N ATOM 1142 CA ARG A 79 12.768 0.201 -2.203 1.00 0.00 C ATOM 1143 C ARG A 79 12.311 0.527 -0.743 1.00 0.00 C ATOM 1144 O ARG A 79 12.830 -0.031 0.207 1.00 0.00 O ATOM 1145 CB ARG A 79 14.287 0.418 -2.378 1.00 0.00 C ATOM 1146 CG ARG A 79 14.854 -0.040 -3.735 1.00 0.00 C ATOM 1147 CD ARG A 79 14.538 -1.512 -4.051 1.00 0.00 C ATOM 1148 NE ARG A 79 15.021 -2.432 -3.018 1.00 0.00 N ATOM 1149 CZ ARG A 79 15.179 -3.762 -3.153 1.00 0.00 C ATOM 1150 NH1 ARG A 79 14.918 -4.369 -4.318 1.00 0.00 N ATOM 1151 NH2 ARG A 79 15.593 -4.475 -2.111 1.00 0.00 N ATOM 0 H ARG A 79 11.506 0.231 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 79 12.557 -0.859 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.505 1.478 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 79 14.810 -0.115 -1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.447 0.591 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.935 0.103 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.460 -1.631 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.988 -1.778 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 79 15.260 -2.027 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.595 -3.823 -5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.042 -5.378 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.787 -4.014 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.717 -5.484 -2.200 1.00 0.00 H new ATOM 1165 N HIS A 80 11.404 1.451 -0.578 1.00 0.00 N ATOM 1166 CA HIS A 80 10.744 1.660 0.695 1.00 0.00 C ATOM 1167 C HIS A 80 9.532 0.764 0.659 1.00 0.00 C ATOM 1168 O HIS A 80 9.087 0.219 1.686 1.00 0.00 O ATOM 1169 CB HIS A 80 10.401 3.175 0.885 1.00 0.00 C ATOM 1170 CG HIS A 80 9.007 3.521 1.405 1.00 0.00 C ATOM 1171 ND1 HIS A 80 8.689 3.661 2.734 1.00 0.00 N ATOM 1172 CD2 HIS A 80 7.863 3.798 0.732 1.00 0.00 C ATOM 1173 CE1 HIS A 80 7.432 4.003 2.855 1.00 0.00 C ATOM 1174 NE2 HIS A 80 6.902 4.095 1.658 1.00 0.00 N ATOM 0 H HIS A 80 11.097 2.083 -1.318 1.00 0.00 H new ATOM 0 HA HIS A 80 11.367 1.408 1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.132 3.602 1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.536 3.674 -0.075 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.336 3.520 3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.734 3.786 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.915 4.180 3.787 1.00 0.00 H new ATOM 1183 N VAL A 81 9.008 0.682 -0.571 1.00 0.00 N ATOM 1184 CA VAL A 81 7.961 -0.201 -1.054 1.00 0.00 C ATOM 1185 C VAL A 81 6.894 -0.405 -0.060 1.00 0.00 C ATOM 1186 O VAL A 81 6.530 -1.517 0.249 1.00 0.00 O ATOM 1187 CB VAL A 81 8.525 -1.526 -1.631 1.00 0.00 C ATOM 1188 CG1 VAL A 81 9.446 -1.203 -2.776 1.00 0.00 C ATOM 1189 CG2 VAL A 81 9.276 -2.334 -0.593 1.00 0.00 C ATOM 0 H VAL A 81 9.344 1.293 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 81 7.486 0.307 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 81 7.683 -2.132 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.849 -2.127 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.892 -0.670 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.265 -0.578 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.650 -3.251 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.114 -1.749 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.605 -2.584 0.229 1.00 0.00 H new ATOM 1199 N GLY A 82 6.372 0.696 0.405 1.00 0.00 N ATOM 1200 CA GLY A 82 5.421 0.702 1.485 1.00 0.00 C ATOM 1201 C GLY A 82 4.270 -0.221 1.253 1.00 0.00 C ATOM 1202 O GLY A 82 3.788 -0.822 2.182 1.00 0.00 O ATOM 0 H GLY A 82 6.596 1.623 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.926 0.419 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.045 1.715 1.625 1.00 0.00 H new ATOM 1206 N ASP A 83 3.864 -0.336 0.014 1.00 0.00 N ATOM 1207 CA ASP A 83 2.814 -1.215 -0.409 1.00 0.00 C ATOM 1208 C ASP A 83 2.829 -1.211 -1.899 1.00 0.00 C ATOM 1209 O ASP A 83 3.523 -0.403 -2.497 1.00 0.00 O ATOM 1210 CB ASP A 83 1.473 -0.757 0.081 1.00 0.00 C ATOM 1211 CG ASP A 83 0.386 -1.806 0.016 1.00 0.00 C ATOM 1212 OD1 ASP A 83 -0.279 -1.929 -1.018 1.00 0.00 O ATOM 1213 OD2 ASP A 83 0.149 -2.473 1.036 1.00 0.00 O ATOM 0 H ASP A 83 4.272 0.200 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 83 2.978 -2.212 -0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.574 -0.421 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.162 0.107 -0.507 1.00 0.00 H new ATOM 1218 N LEU A 84 2.059 -2.051 -2.464 1.00 0.00 N ATOM 1219 CA LEU A 84 1.987 -2.264 -3.877 1.00 0.00 C ATOM 1220 C LEU A 84 0.577 -2.659 -4.181 1.00 0.00 C ATOM 1221 O LEU A 84 0.220 -3.833 -4.183 1.00 0.00 O ATOM 1222 CB LEU A 84 2.977 -3.374 -4.314 1.00 0.00 C ATOM 1223 CG LEU A 84 2.908 -3.859 -5.781 1.00 0.00 C ATOM 1224 CD1 LEU A 84 3.009 -2.710 -6.770 1.00 0.00 C ATOM 1225 CD2 LEU A 84 4.011 -4.862 -6.040 1.00 0.00 C ATOM 0 H LEU A 84 1.421 -2.648 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 84 2.263 -1.361 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.989 -3.014 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.820 -4.237 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 84 1.936 -4.330 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.956 -3.099 -7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.187 -2.014 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.957 -2.191 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.959 -5.201 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.979 -4.393 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.891 -5.715 -5.372 1.00 0.00 H new ATOM 1237 N GLY A 85 -0.223 -1.678 -4.378 1.00 0.00 N ATOM 1238 CA GLY A 85 -1.571 -1.911 -4.650 1.00 0.00 C ATOM 1239 C GLY A 85 -2.309 -0.636 -4.764 1.00 0.00 C ATOM 1240 O GLY A 85 -2.196 0.244 -3.890 1.00 0.00 O ATOM 0 H GLY A 85 0.048 -0.695 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.668 -2.477 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.007 -2.520 -3.858 1.00 0.00 H new ATOM 1244 N ASN A 86 -3.015 -0.494 -5.819 1.00 0.00 N ATOM 1245 CA ASN A 86 -3.883 0.636 -5.989 1.00 0.00 C ATOM 1246 C ASN A 86 -5.238 0.238 -5.411 1.00 0.00 C ATOM 1247 O ASN A 86 -5.420 -0.909 -5.025 1.00 0.00 O ATOM 1248 CB ASN A 86 -4.004 1.037 -7.470 1.00 0.00 C ATOM 1249 CG ASN A 86 -2.680 1.418 -8.105 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -1.983 0.568 -8.646 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -2.315 2.679 -8.053 1.00 0.00 N ATOM 0 H ASN A 86 -3.017 -1.152 -6.599 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.482 1.509 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.440 0.208 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.694 1.877 -7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.431 2.972 -8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.915 3.365 -7.596 1.00 0.00 H new ATOM 1258 N VAL A 87 -6.162 1.152 -5.287 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.459 0.824 -4.717 1.00 0.00 C ATOM 1260 C VAL A 87 -8.531 1.650 -5.412 1.00 0.00 C ATOM 1261 O VAL A 87 -8.376 2.864 -5.550 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.466 1.054 -3.146 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -7.140 2.486 -2.760 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -8.778 0.639 -2.516 1.00 0.00 C ATOM 0 H VAL A 87 -6.051 2.126 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.671 -0.233 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.675 0.414 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.159 2.584 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.148 2.746 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.878 3.158 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.737 0.814 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.590 1.224 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.953 -0.420 -2.705 1.00 0.00 H new ATOM 1274 N THR A 88 -9.586 1.006 -5.888 1.00 0.00 N ATOM 1275 CA THR A 88 -10.619 1.711 -6.569 1.00 0.00 C ATOM 1276 C THR A 88 -11.969 1.166 -6.178 1.00 0.00 C ATOM 1277 O THR A 88 -12.390 0.112 -6.646 1.00 0.00 O ATOM 1278 CB THR A 88 -10.442 1.683 -8.109 1.00 0.00 C ATOM 1279 OG1 THR A 88 -9.137 2.206 -8.439 1.00 0.00 O ATOM 1280 CG2 THR A 88 -11.505 2.549 -8.783 1.00 0.00 C ATOM 0 H THR A 88 -9.734 -0.000 -5.807 1.00 0.00 H new ATOM 0 HA THR A 88 -10.552 2.755 -6.264 1.00 0.00 H new ATOM 0 HB THR A 88 -10.544 0.656 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.111 3.166 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.367 2.519 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.496 2.170 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.412 3.577 -8.434 1.00 0.00 H new ATOM 1288 N ALA A 89 -12.568 1.825 -5.249 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.896 1.563 -4.839 1.00 0.00 C ATOM 1290 C ALA A 89 -14.716 2.607 -5.516 1.00 0.00 C ATOM 1291 O ALA A 89 -14.171 3.581 -5.934 1.00 0.00 O ATOM 1292 CB ALA A 89 -14.000 1.688 -3.327 1.00 0.00 C ATOM 0 H ALA A 89 -12.127 2.589 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.229 0.558 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.025 1.486 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.328 0.970 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.722 2.698 -3.025 1.00 0.00 H new ATOM 1298 N ASP A 90 -15.889 2.382 -5.778 1.00 0.00 N ATOM 1299 CA ASP A 90 -16.645 3.464 -6.296 1.00 0.00 C ATOM 1300 C ASP A 90 -17.675 3.795 -5.241 1.00 0.00 C ATOM 1301 O ASP A 90 -17.477 3.441 -4.075 1.00 0.00 O ATOM 1302 CB ASP A 90 -17.232 3.092 -7.670 1.00 0.00 C ATOM 1303 CG ASP A 90 -17.851 4.265 -8.399 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -17.118 5.102 -8.968 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -19.076 4.387 -8.383 1.00 0.00 O ATOM 0 H ASP A 90 -16.378 1.494 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.045 4.353 -6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.444 2.664 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -17.987 2.318 -7.536 1.00 0.00 H new ATOM 1310 N LYS A 91 -18.729 4.455 -5.594 1.00 0.00 N ATOM 1311 CA LYS A 91 -19.833 4.748 -4.682 1.00 0.00 C ATOM 1312 C LYS A 91 -20.472 3.474 -4.060 1.00 0.00 C ATOM 1313 O LYS A 91 -21.324 3.563 -3.171 1.00 0.00 O ATOM 1314 CB LYS A 91 -20.900 5.604 -5.367 1.00 0.00 C ATOM 1315 CG LYS A 91 -21.530 4.972 -6.590 1.00 0.00 C ATOM 1316 CD LYS A 91 -22.625 5.845 -7.179 1.00 0.00 C ATOM 1317 CE LYS A 91 -22.104 7.201 -7.629 1.00 0.00 C ATOM 1318 NZ LYS A 91 -23.182 8.023 -8.205 1.00 0.00 N ATOM 0 H LYS A 91 -18.868 4.820 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.399 5.313 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.685 5.827 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.453 6.555 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -20.762 4.795 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.945 4.000 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.078 5.333 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.411 5.988 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -21.660 7.722 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.314 7.063 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -22.797 8.942 -8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -23.589 7.535 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -23.923 8.174 -7.491 1.00 0.00 H new ATOM 1332 N ASP A 92 -20.072 2.317 -4.538 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.513 1.063 -3.975 1.00 0.00 C ATOM 1334 C ASP A 92 -19.624 0.700 -2.766 1.00 0.00 C ATOM 1335 O ASP A 92 -20.073 0.063 -1.814 1.00 0.00 O ATOM 1336 CB ASP A 92 -20.465 -0.039 -5.029 1.00 0.00 C ATOM 1337 CG ASP A 92 -21.095 -1.330 -4.559 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -22.341 -1.432 -4.567 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -20.371 -2.272 -4.203 1.00 0.00 O ATOM 0 H ASP A 92 -19.433 2.220 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.545 1.163 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -20.977 0.303 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -19.427 -0.226 -5.305 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.386 1.183 -2.780 1.00 0.00 N ATOM 1345 CA GLY A 93 -17.450 0.924 -1.703 1.00 0.00 C ATOM 1346 C GLY A 93 -16.911 -0.505 -1.662 1.00 0.00 C ATOM 1347 O GLY A 93 -17.145 -1.227 -0.692 1.00 0.00 O ATOM 0 H GLY A 93 -18.010 1.759 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.610 1.613 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.939 1.142 -0.753 1.00 0.00 H new ATOM 1351 N VAL A 94 -16.155 -0.882 -2.679 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.529 -2.187 -2.838 1.00 0.00 C ATOM 1353 C VAL A 94 -14.403 -2.004 -3.824 1.00 0.00 C ATOM 1354 O VAL A 94 -14.589 -1.347 -4.847 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.481 -3.353 -3.344 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -17.479 -3.801 -2.285 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -17.212 -2.973 -4.625 1.00 0.00 C ATOM 0 H VAL A 94 -15.950 -0.255 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.205 -2.512 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.825 -4.197 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.103 -4.599 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.942 -4.166 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -18.108 -2.958 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -17.852 -3.798 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.822 -2.087 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -16.485 -2.761 -5.409 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.247 -2.508 -3.533 1.00 0.00 N ATOM 1368 CA ALA A 95 -12.156 -2.347 -4.414 1.00 0.00 C ATOM 1369 C ALA A 95 -11.605 -3.672 -4.759 1.00 0.00 C ATOM 1370 O ALA A 95 -11.163 -4.421 -3.886 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.097 -1.467 -3.817 1.00 0.00 C ATOM 0 H ALA A 95 -13.042 -3.036 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.508 -1.857 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.271 -1.363 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.518 -0.484 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.732 -1.913 -2.892 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.668 -3.975 -5.995 1.00 0.00 N ATOM 1378 CA ASP A 96 -11.164 -5.212 -6.501 1.00 0.00 C ATOM 1379 C ASP A 96 -9.821 -4.936 -7.089 1.00 0.00 C ATOM 1380 O ASP A 96 -9.723 -4.312 -8.127 1.00 0.00 O ATOM 1381 CB ASP A 96 -12.121 -5.773 -7.557 1.00 0.00 C ATOM 1382 CG ASP A 96 -11.615 -7.028 -8.223 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.555 -8.082 -7.560 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -11.332 -6.998 -9.444 1.00 0.00 O ATOM 0 H ASP A 96 -12.076 -3.368 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.080 -5.956 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.083 -5.982 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.295 -5.013 -8.318 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.788 -5.299 -6.394 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.472 -5.020 -6.875 1.00 0.00 C ATOM 1391 C VAL A 97 -6.623 -6.265 -6.973 1.00 0.00 C ATOM 1392 O VAL A 97 -6.381 -6.965 -5.997 1.00 0.00 O ATOM 1393 CB VAL A 97 -6.747 -3.890 -6.062 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.663 -4.211 -4.569 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -5.356 -3.611 -6.639 1.00 0.00 C ATOM 0 H VAL A 97 -8.830 -5.786 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.604 -4.636 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.351 -2.988 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.153 -3.399 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.669 -4.325 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.107 -5.138 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.873 -2.824 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.754 -4.518 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.450 -3.291 -7.677 1.00 0.00 H new ATOM 1405 N SER A 98 -6.232 -6.558 -8.152 1.00 0.00 N ATOM 1406 CA SER A 98 -5.335 -7.618 -8.415 1.00 0.00 C ATOM 1407 C SER A 98 -4.426 -7.154 -9.525 1.00 0.00 C ATOM 1408 O SER A 98 -4.827 -7.098 -10.675 1.00 0.00 O ATOM 1409 CB SER A 98 -6.123 -8.872 -8.802 1.00 0.00 C ATOM 1410 OG SER A 98 -7.031 -8.585 -9.856 1.00 0.00 O ATOM 0 H SER A 98 -6.534 -6.054 -8.986 1.00 0.00 H new ATOM 0 HA SER A 98 -4.739 -7.878 -7.540 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.436 -9.659 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.669 -9.247 -7.936 1.00 0.00 H new ATOM 0 HG SER A 98 -6.605 -7.981 -10.500 1.00 0.00 H new ATOM 1416 N ILE A 99 -3.243 -6.756 -9.179 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.341 -6.217 -10.157 1.00 0.00 C ATOM 1418 C ILE A 99 -1.157 -7.113 -10.338 1.00 0.00 C ATOM 1419 O ILE A 99 -0.767 -7.836 -9.416 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.864 -4.775 -9.808 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -1.197 -4.727 -8.414 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -3.027 -3.786 -9.904 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -0.628 -3.370 -8.045 1.00 0.00 C ATOM 0 H ILE A 99 -2.876 -6.792 -8.228 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.900 -6.158 -11.091 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.110 -4.481 -10.538 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.931 -5.018 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.396 -5.466 -8.381 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.674 -2.785 -9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.425 -3.790 -10.919 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.811 -4.077 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.179 -3.421 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.131 -3.084 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.427 -2.629 -8.043 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.612 -7.081 -11.511 1.00 0.00 N ATOM 1436 CA GLU A 100 0.547 -7.826 -11.831 1.00 0.00 C ATOM 1437 C GLU A 100 1.647 -6.849 -12.222 1.00 0.00 C ATOM 1438 O GLU A 100 1.672 -6.301 -13.311 1.00 0.00 O ATOM 1439 CB GLU A 100 0.220 -8.885 -12.905 1.00 0.00 C ATOM 1440 CG GLU A 100 -0.470 -8.369 -14.161 1.00 0.00 C ATOM 1441 CD GLU A 100 -0.967 -9.496 -15.031 1.00 0.00 C ATOM 1442 OE1 GLU A 100 -0.174 -10.077 -15.793 1.00 0.00 O ATOM 1443 OE2 GLU A 100 -2.178 -9.845 -14.945 1.00 0.00 O ATOM 0 H GLU A 100 -0.973 -6.523 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 100 0.911 -8.394 -10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.148 -9.374 -13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.414 -9.648 -12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.308 -7.731 -13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.225 -7.751 -14.729 1.00 0.00 H new ATOM 1450 N ASP A 101 2.511 -6.603 -11.291 1.00 0.00 N ATOM 1451 CA ASP A 101 3.546 -5.591 -11.431 1.00 0.00 C ATOM 1452 C ASP A 101 4.888 -6.155 -10.971 1.00 0.00 C ATOM 1453 O ASP A 101 4.917 -7.226 -10.379 1.00 0.00 O ATOM 1454 CB ASP A 101 3.146 -4.333 -10.644 1.00 0.00 C ATOM 1455 CG ASP A 101 4.064 -3.162 -10.879 1.00 0.00 C ATOM 1456 OD1 ASP A 101 4.463 -2.926 -12.050 1.00 0.00 O ATOM 1457 OD2 ASP A 101 4.366 -2.446 -9.936 1.00 0.00 O ATOM 0 H ASP A 101 2.531 -7.095 -10.398 1.00 0.00 H new ATOM 0 HA ASP A 101 3.653 -5.307 -12.478 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.130 -4.049 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.134 -4.568 -9.580 1.00 0.00 H new ATOM 1462 N SER A 102 5.968 -5.460 -11.266 1.00 0.00 N ATOM 1463 CA SER A 102 7.324 -5.932 -11.015 1.00 0.00 C ATOM 1464 C SER A 102 7.633 -6.249 -9.535 1.00 0.00 C ATOM 1465 O SER A 102 7.705 -5.350 -8.681 1.00 0.00 O ATOM 1466 CB SER A 102 8.332 -4.933 -11.572 1.00 0.00 C ATOM 1467 OG SER A 102 8.171 -4.780 -12.980 1.00 0.00 O ATOM 0 H SER A 102 5.932 -4.535 -11.694 1.00 0.00 H new ATOM 0 HA SER A 102 7.409 -6.887 -11.534 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.204 -3.969 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.345 -5.271 -11.352 1.00 0.00 H new ATOM 0 HG SER A 102 8.826 -4.134 -13.316 1.00 0.00 H new ATOM 1473 N VAL A 103 7.854 -7.561 -9.285 1.00 0.00 N ATOM 1474 CA VAL A 103 8.229 -8.154 -7.969 1.00 0.00 C ATOM 1475 C VAL A 103 9.557 -7.601 -7.414 1.00 0.00 C ATOM 1476 O VAL A 103 9.924 -7.901 -6.284 1.00 0.00 O ATOM 1477 CB VAL A 103 8.370 -9.709 -8.030 1.00 0.00 C ATOM 1478 CG1 VAL A 103 7.128 -10.408 -8.526 1.00 0.00 C ATOM 1479 CG2 VAL A 103 9.573 -10.121 -8.828 1.00 0.00 C ATOM 0 H VAL A 103 7.774 -8.266 -10.018 1.00 0.00 H new ATOM 0 HA VAL A 103 7.407 -7.874 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 103 8.511 -10.032 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.298 -11.485 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.294 -10.182 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.894 -10.063 -9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.640 -11.209 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.481 -9.743 -9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 103 10.472 -9.711 -8.368 1.00 0.00 H new ATOM 1489 N ILE A 104 10.303 -6.875 -8.255 1.00 0.00 N ATOM 1490 CA ILE A 104 11.642 -6.328 -7.936 1.00 0.00 C ATOM 1491 C ILE A 104 11.624 -5.433 -6.672 1.00 0.00 C ATOM 1492 O ILE A 104 12.669 -5.083 -6.094 1.00 0.00 O ATOM 1493 CB ILE A 104 12.216 -5.559 -9.187 1.00 0.00 C ATOM 1494 CG1 ILE A 104 12.340 -6.518 -10.384 1.00 0.00 C ATOM 1495 CG2 ILE A 104 13.569 -4.886 -8.913 1.00 0.00 C ATOM 1496 CD1 ILE A 104 13.272 -7.698 -10.141 1.00 0.00 C ATOM 0 H ILE A 104 9.993 -6.642 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 104 12.303 -7.163 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 104 11.508 -4.762 -9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.350 -6.897 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.697 -5.959 -11.249 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.910 -4.374 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.459 -4.164 -8.104 1.00 0.00 H new ATOM 0 HG23 ILE A 104 14.300 -5.642 -8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.304 -8.326 -11.032 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.274 -7.331 -9.919 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.906 -8.283 -9.298 1.00 0.00 H new ATOM 1508 N SER A 105 10.476 -5.089 -6.224 1.00 0.00 N ATOM 1509 CA SER A 105 10.398 -4.338 -5.040 1.00 0.00 C ATOM 1510 C SER A 105 10.262 -5.224 -3.833 1.00 0.00 C ATOM 1511 O SER A 105 9.221 -5.428 -3.327 1.00 0.00 O ATOM 1512 CB SER A 105 9.206 -3.441 -5.203 1.00 0.00 C ATOM 1513 OG SER A 105 8.160 -4.133 -5.892 1.00 0.00 O ATOM 0 H SER A 105 9.583 -5.316 -6.660 1.00 0.00 H new ATOM 0 HA SER A 105 11.308 -3.760 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.853 -3.112 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.488 -2.546 -5.758 1.00 0.00 H new ATOM 0 HG SER A 105 7.903 -3.626 -6.690 1.00 0.00 H new ATOM 1519 N LEU A 106 11.374 -5.690 -3.386 1.00 0.00 N ATOM 1520 CA LEU A 106 11.515 -6.387 -2.185 1.00 0.00 C ATOM 1521 C LEU A 106 11.312 -5.421 -1.070 1.00 0.00 C ATOM 1522 O LEU A 106 11.627 -4.228 -1.196 1.00 0.00 O ATOM 1523 CB LEU A 106 12.909 -7.015 -2.118 1.00 0.00 C ATOM 1524 CG LEU A 106 13.292 -7.925 -3.300 1.00 0.00 C ATOM 1525 CD1 LEU A 106 14.700 -8.446 -3.141 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.320 -9.082 -3.439 1.00 0.00 C ATOM 0 H LEU A 106 12.254 -5.581 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 106 10.782 -7.190 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.645 -6.214 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.981 -7.596 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 106 13.242 -7.324 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.949 -9.086 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.396 -7.608 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.773 -9.020 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.616 -9.707 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.329 -9.677 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.316 -8.695 -3.610 1.00 0.00 H new ATOM 1538 N SER A 107 10.836 -5.934 -0.008 1.00 0.00 N ATOM 1539 CA SER A 107 10.446 -5.221 1.110 1.00 0.00 C ATOM 1540 C SER A 107 11.575 -4.596 1.851 1.00 0.00 C ATOM 1541 O SER A 107 12.243 -5.209 2.695 1.00 0.00 O ATOM 1542 CB SER A 107 9.578 -6.074 2.010 1.00 0.00 C ATOM 1543 OG SER A 107 8.305 -6.284 1.421 1.00 0.00 O ATOM 0 H SER A 107 10.704 -6.940 0.098 1.00 0.00 H new ATOM 0 HA SER A 107 9.851 -4.382 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.064 -7.033 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.461 -5.588 2.979 1.00 0.00 H new ATOM 0 HG SER A 107 8.408 -6.402 0.454 1.00 0.00 H new ATOM 1549 N GLY A 108 11.811 -3.410 1.462 1.00 0.00 N ATOM 1550 CA GLY A 108 12.640 -2.542 2.172 1.00 0.00 C ATOM 1551 C GLY A 108 11.740 -1.734 3.048 1.00 0.00 C ATOM 1552 O GLY A 108 10.537 -1.982 3.032 1.00 0.00 O ATOM 0 H GLY A 108 11.418 -3.007 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.367 -3.096 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.204 -1.900 1.495 1.00 0.00 H new ATOM 1556 N ASP A 109 12.283 -0.779 3.756 1.00 0.00 N ATOM 1557 CA ASP A 109 11.624 0.065 4.740 1.00 0.00 C ATOM 1558 C ASP A 109 10.472 -0.565 5.565 1.00 0.00 C ATOM 1559 O ASP A 109 10.647 -0.931 6.729 1.00 0.00 O ATOM 1560 CB ASP A 109 11.285 1.405 4.159 1.00 0.00 C ATOM 1561 CG ASP A 109 10.856 2.387 5.188 1.00 0.00 C ATOM 1562 OD1 ASP A 109 11.335 2.339 6.331 1.00 0.00 O ATOM 1563 OD2 ASP A 109 10.082 3.248 4.854 1.00 0.00 O ATOM 0 H ASP A 109 13.271 -0.547 3.659 1.00 0.00 H new ATOM 0 HA ASP A 109 12.377 0.201 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.154 1.797 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 109 10.490 1.286 3.423 1.00 0.00 H new ATOM 1568 N HIS A 110 9.298 -0.674 4.931 1.00 0.00 N ATOM 1569 CA HIS A 110 8.092 -1.257 5.472 1.00 0.00 C ATOM 1570 C HIS A 110 8.368 -2.685 5.918 1.00 0.00 C ATOM 1571 O HIS A 110 7.799 -3.168 6.878 1.00 0.00 O ATOM 1572 CB HIS A 110 6.940 -1.178 4.387 1.00 0.00 C ATOM 1573 CG HIS A 110 6.832 -2.299 3.315 1.00 0.00 C ATOM 1574 ND1 HIS A 110 5.620 -2.782 2.875 1.00 0.00 N ATOM 1575 CD2 HIS A 110 7.754 -3.029 2.652 1.00 0.00 C ATOM 1576 CE1 HIS A 110 5.809 -3.763 2.023 1.00 0.00 C ATOM 1577 NE2 HIS A 110 7.087 -3.933 1.868 1.00 0.00 N ATOM 0 H HIS A 110 9.171 -0.336 3.977 1.00 0.00 H new ATOM 0 HA HIS A 110 7.761 -0.701 6.349 1.00 0.00 H new ATOM 0 HB2 HIS A 110 5.990 -1.140 4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 110 7.049 -0.230 3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 110 8.826 -2.920 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.033 -4.332 1.534 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.523 -4.627 1.261 1.00 0.00 H new ATOM 1586 N SER A 111 9.274 -3.296 5.203 1.00 0.00 N ATOM 1587 CA SER A 111 9.753 -4.621 5.409 1.00 0.00 C ATOM 1588 C SER A 111 8.647 -5.687 5.258 1.00 0.00 C ATOM 1589 O SER A 111 7.497 -5.389 4.909 1.00 0.00 O ATOM 1590 CB SER A 111 10.491 -4.692 6.749 1.00 0.00 C ATOM 1591 OG SER A 111 11.510 -3.695 6.786 1.00 0.00 O ATOM 0 H SER A 111 9.723 -2.842 4.408 1.00 0.00 H new ATOM 0 HA SER A 111 10.465 -4.862 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.790 -4.541 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.930 -5.681 6.882 1.00 0.00 H new ATOM 0 HG SER A 111 11.098 -2.809 6.857 1.00 0.00 H new ATOM 1597 N ILE A 112 9.036 -6.908 5.477 1.00 0.00 N ATOM 1598 CA ILE A 112 8.216 -8.091 5.429 1.00 0.00 C ATOM 1599 C ILE A 112 7.399 -8.184 6.743 1.00 0.00 C ATOM 1600 O ILE A 112 6.731 -9.182 7.032 1.00 0.00 O ATOM 1601 CB ILE A 112 9.187 -9.334 5.278 1.00 0.00 C ATOM 1602 CG1 ILE A 112 8.439 -10.662 5.043 1.00 0.00 C ATOM 1603 CG2 ILE A 112 10.133 -9.444 6.480 1.00 0.00 C ATOM 1604 CD1 ILE A 112 9.339 -11.884 4.931 1.00 0.00 C ATOM 0 H ILE A 112 10.005 -7.123 5.711 1.00 0.00 H new ATOM 0 HA ILE A 112 7.518 -8.066 4.592 1.00 0.00 H new ATOM 0 HB ILE A 112 9.780 -9.151 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.737 -10.818 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.850 -10.576 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.788 -10.306 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.735 -8.538 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.549 -9.566 7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.728 -12.772 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.025 -11.755 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.909 -12.001 5.852 1.00 0.00 H new ATOM 1616 N ILE A 113 7.432 -7.124 7.531 1.00 0.00 N ATOM 1617 CA ILE A 113 6.764 -7.141 8.799 1.00 0.00 C ATOM 1618 C ILE A 113 5.385 -6.624 8.606 1.00 0.00 C ATOM 1619 O ILE A 113 4.995 -6.325 7.463 1.00 0.00 O ATOM 1620 CB ILE A 113 7.507 -6.323 9.897 1.00 0.00 C ATOM 1621 CG1 ILE A 113 7.582 -4.831 9.534 1.00 0.00 C ATOM 1622 CG2 ILE A 113 8.899 -6.898 10.131 1.00 0.00 C ATOM 1623 CD1 ILE A 113 8.241 -3.973 10.592 1.00 0.00 C ATOM 0 H ILE A 113 7.913 -6.252 7.309 1.00 0.00 H new ATOM 0 HA ILE A 113 6.747 -8.170 9.159 1.00 0.00 H new ATOM 0 HB ILE A 113 6.937 -6.403 10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.131 -4.722 8.599 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.573 -4.460 9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.408 -6.317 10.901 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.814 -7.935 10.455 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.472 -6.853 9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.255 -2.934 10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.680 -4.049 11.524 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.263 -4.316 10.754 1.00 0.00 H new ATOM 1635 N GLY A 114 4.660 -6.481 9.670 1.00 0.00 N ATOM 1636 CA GLY A 114 3.329 -6.039 9.585 1.00 0.00 C ATOM 1637 C GLY A 114 3.260 -4.552 9.478 1.00 0.00 C ATOM 1638 O GLY A 114 2.744 -3.890 10.371 1.00 0.00 O ATOM 0 H GLY A 114 4.987 -6.671 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.847 -6.491 8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.777 -6.369 10.465 1.00 0.00 H new ATOM 1642 N ARG A 115 3.778 -4.038 8.380 1.00 0.00 N ATOM 1643 CA ARG A 115 3.767 -2.653 8.097 1.00 0.00 C ATOM 1644 C ARG A 115 2.369 -2.127 7.875 1.00 0.00 C ATOM 1645 O ARG A 115 1.549 -2.713 7.190 1.00 0.00 O ATOM 1646 CB ARG A 115 4.684 -2.346 6.914 1.00 0.00 C ATOM 1647 CG ARG A 115 4.782 -3.435 5.823 1.00 0.00 C ATOM 1648 CD ARG A 115 3.484 -3.741 5.105 1.00 0.00 C ATOM 1649 NE ARG A 115 2.830 -2.554 4.574 1.00 0.00 N ATOM 1650 CZ ARG A 115 1.934 -2.563 3.593 1.00 0.00 C ATOM 1651 NH1 ARG A 115 1.738 -3.644 2.854 1.00 0.00 N ATOM 1652 NH2 ARG A 115 1.245 -1.486 3.327 1.00 0.00 N ATOM 0 H ARG A 115 4.224 -4.601 7.656 1.00 0.00 H new ATOM 0 HA ARG A 115 4.153 -2.130 8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.341 -1.423 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 115 5.686 -2.156 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.523 -3.124 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 115 5.152 -4.353 6.279 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.683 -4.435 4.288 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.805 -4.245 5.793 1.00 0.00 H new ATOM 0 HE ARG A 115 3.077 -1.653 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.280 -4.490 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 115 1.045 -3.631 2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.395 -0.637 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.557 -1.494 2.574 1.00 0.00 H new ATOM 1666 N THR A 116 2.111 -1.070 8.522 1.00 0.00 N ATOM 1667 CA THR A 116 0.888 -0.423 8.510 1.00 0.00 C ATOM 1668 C THR A 116 0.635 0.238 7.175 1.00 0.00 C ATOM 1669 O THR A 116 1.464 1.017 6.676 1.00 0.00 O ATOM 1670 CB THR A 116 0.917 0.608 9.613 1.00 0.00 C ATOM 1671 OG1 THR A 116 2.163 0.444 10.339 1.00 0.00 O ATOM 1672 CG2 THR A 116 -0.236 0.388 10.566 1.00 0.00 C ATOM 0 H THR A 116 2.802 -0.607 9.113 1.00 0.00 H new ATOM 0 HA THR A 116 0.081 -1.139 8.668 1.00 0.00 H new ATOM 0 HB THR A 116 0.835 1.608 9.188 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.529 1.325 10.564 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.203 1.138 11.356 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.178 0.473 10.024 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.160 -0.606 11.006 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.448 -0.129 6.560 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.841 0.527 5.357 1.00 0.00 C ATOM 1682 C LEU A 117 -1.684 1.730 5.725 1.00 0.00 C ATOM 1683 O LEU A 117 -2.392 1.712 6.721 1.00 0.00 O ATOM 1684 CB LEU A 117 -1.605 -0.417 4.371 1.00 0.00 C ATOM 1685 CG LEU A 117 -3.131 -0.646 4.554 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -3.669 -1.684 3.581 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -3.518 -1.005 5.955 1.00 0.00 C ATOM 0 H LEU A 117 -1.070 -0.875 6.871 1.00 0.00 H new ATOM 0 HA LEU A 117 0.057 0.841 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.452 -0.029 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.121 -1.393 4.414 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.591 0.317 4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.739 -1.814 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.494 -1.349 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.160 -2.634 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.597 -1.150 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.013 -1.926 6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.226 -0.201 6.631 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.488 2.783 5.026 1.00 0.00 N ATOM 1700 CA VAL A 118 -2.367 3.964 5.165 1.00 0.00 C ATOM 1701 C VAL A 118 -3.235 4.140 3.918 1.00 0.00 C ATOM 1702 O VAL A 118 -2.723 4.543 2.855 1.00 0.00 O ATOM 1703 CB VAL A 118 -1.555 5.252 5.393 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -2.461 6.464 5.499 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -0.691 5.127 6.622 1.00 0.00 C ATOM 0 H VAL A 118 -0.738 2.888 4.343 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.000 3.789 6.035 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.907 5.393 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.857 7.357 5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.032 6.573 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -3.146 6.334 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.126 6.048 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.321 4.949 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.000 4.293 6.498 1.00 0.00 H new ATOM 1715 N VAL A 119 -4.513 3.801 4.032 1.00 0.00 N ATOM 1716 CA VAL A 119 -5.473 3.919 2.933 1.00 0.00 C ATOM 1717 C VAL A 119 -6.685 4.736 3.371 1.00 0.00 C ATOM 1718 O VAL A 119 -6.840 5.092 4.540 1.00 0.00 O ATOM 1719 CB VAL A 119 -6.097 2.541 2.518 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -6.355 2.428 1.017 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -5.363 1.354 3.063 1.00 0.00 C ATOM 0 H VAL A 119 -4.918 3.434 4.893 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.906 4.366 2.116 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.074 2.524 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.787 1.452 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -7.048 3.211 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.415 2.541 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.855 0.439 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.335 1.364 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.365 1.394 4.152 1.00 0.00 H new ATOM 1731 N HIS A 120 -7.465 5.084 2.386 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.822 5.527 2.482 1.00 0.00 C ATOM 1733 C HIS A 120 -9.258 5.590 1.042 1.00 0.00 C ATOM 1734 O HIS A 120 -8.381 5.647 0.164 1.00 0.00 O ATOM 1735 CB HIS A 120 -9.001 6.884 3.197 1.00 0.00 C ATOM 1736 CG HIS A 120 -10.447 7.199 3.592 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -11.449 6.245 3.725 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -11.033 8.370 3.922 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -12.558 6.823 4.122 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.339 8.104 4.250 1.00 0.00 N ATOM 0 H HIS A 120 -7.139 5.062 1.420 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.419 4.855 3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -8.381 6.894 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.633 7.677 2.546 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -11.339 5.248 3.542 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.560 9.341 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -13.496 6.322 4.311 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.524 5.513 0.775 1.00 0.00 N ATOM 1750 CA GLU A 121 -11.038 5.600 -0.567 1.00 0.00 C ATOM 1751 C GLU A 121 -10.837 7.034 -1.063 1.00 0.00 C ATOM 1752 O GLU A 121 -11.664 7.919 -0.812 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.548 5.237 -0.620 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.988 3.990 0.177 1.00 0.00 C ATOM 1755 CD GLU A 121 -13.055 4.247 1.676 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -12.034 4.068 2.367 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -14.090 4.721 2.160 1.00 0.00 O ATOM 0 H GLU A 121 -11.243 5.386 1.487 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.505 4.891 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -13.117 6.092 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.827 5.090 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.966 3.664 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.291 3.175 -0.017 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.689 7.269 -1.669 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.288 8.571 -2.143 1.00 0.00 C ATOM 1766 C LYS A 122 -8.045 8.378 -2.975 1.00 0.00 C ATOM 1767 O LYS A 122 -7.525 7.264 -3.043 1.00 0.00 O ATOM 1768 CB LYS A 122 -8.942 9.499 -0.957 1.00 0.00 C ATOM 1769 CG LYS A 122 -7.680 9.079 -0.189 1.00 0.00 C ATOM 1770 CD LYS A 122 -7.383 9.980 1.000 1.00 0.00 C ATOM 1771 CE LYS A 122 -7.213 11.452 0.613 1.00 0.00 C ATOM 1772 NZ LYS A 122 -6.140 11.668 -0.388 1.00 0.00 N ATOM 0 H LYS A 122 -8.997 6.541 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.098 9.023 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.808 10.515 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -9.785 9.521 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.798 8.053 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.827 9.089 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.192 9.893 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.475 9.633 1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.155 11.828 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.990 12.034 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.026 12.687 -0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.246 11.275 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.394 11.193 -1.278 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.624 9.412 -3.636 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.369 9.405 -4.348 1.00 0.00 C ATOM 1788 C ALA A 123 -5.176 9.558 -3.369 1.00 0.00 C ATOM 1789 O ALA A 123 -5.013 10.605 -2.743 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.356 10.498 -5.399 1.00 0.00 C ATOM 0 H ALA A 123 -8.138 10.291 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.262 8.444 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.404 10.482 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.168 10.332 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.487 11.467 -4.918 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.395 8.483 -3.226 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.167 8.415 -2.365 1.00 0.00 C ATOM 1798 C ASP A 124 -2.008 7.779 -3.179 1.00 0.00 C ATOM 1799 O ASP A 124 -1.057 7.157 -2.653 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.459 7.653 -1.002 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.207 7.265 -0.157 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.150 7.868 -0.109 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.076 6.188 0.377 1.00 0.00 O ATOM 0 H ASP A 124 -4.587 7.605 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.863 9.422 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.107 8.280 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.016 6.744 -1.228 1.00 0.00 H new ATOM 1808 N ASP A 125 -2.097 7.935 -4.463 1.00 0.00 N ATOM 1809 CA ASP A 125 -1.023 7.521 -5.357 1.00 0.00 C ATOM 1810 C ASP A 125 0.017 8.617 -5.357 1.00 0.00 C ATOM 1811 O ASP A 125 -0.338 9.790 -5.403 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.535 7.259 -6.782 1.00 0.00 C ATOM 1813 CG ASP A 125 -2.283 5.945 -6.946 1.00 0.00 C ATOM 1814 OD1 ASP A 125 -2.651 5.324 -5.942 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -2.503 5.518 -8.102 1.00 0.00 O ATOM 0 H ASP A 125 -2.903 8.348 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.596 6.582 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.193 8.077 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.688 7.269 -7.468 1.00 0.00 H new ATOM 1820 N LEU A 126 1.291 8.252 -5.307 1.00 0.00 N ATOM 1821 CA LEU A 126 2.355 9.248 -5.163 1.00 0.00 C ATOM 1822 C LEU A 126 2.471 10.063 -6.445 1.00 0.00 C ATOM 1823 O LEU A 126 2.299 11.279 -6.440 1.00 0.00 O ATOM 1824 CB LEU A 126 3.695 8.541 -4.790 1.00 0.00 C ATOM 1825 CG LEU A 126 4.901 9.407 -4.293 1.00 0.00 C ATOM 1826 CD1 LEU A 126 5.488 10.307 -5.379 1.00 0.00 C ATOM 1827 CD2 LEU A 126 4.514 10.224 -3.066 1.00 0.00 C ATOM 0 H LEU A 126 1.615 7.286 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 126 2.115 9.938 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.475 7.808 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.029 7.986 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 126 5.687 8.704 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.319 10.879 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.844 9.694 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.720 10.991 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.368 10.817 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.686 10.887 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.210 9.553 -2.263 1.00 0.00 H new ATOM 1839 N GLY A 127 2.689 9.380 -7.546 1.00 0.00 N ATOM 1840 CA GLY A 127 2.843 10.049 -8.829 1.00 0.00 C ATOM 1841 C GLY A 127 1.532 10.586 -9.396 1.00 0.00 C ATOM 1842 O GLY A 127 1.508 11.147 -10.491 1.00 0.00 O ATOM 0 H GLY A 127 2.764 8.364 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 127 3.547 10.874 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 127 3.280 9.352 -9.543 1.00 0.00 H new ATOM 1846 N LYS A 128 0.451 10.417 -8.657 1.00 0.00 N ATOM 1847 CA LYS A 128 -0.866 10.862 -9.081 1.00 0.00 C ATOM 1848 C LYS A 128 -1.532 11.625 -7.937 1.00 0.00 C ATOM 1849 O LYS A 128 -2.760 11.633 -7.814 1.00 0.00 O ATOM 1850 CB LYS A 128 -1.737 9.646 -9.481 1.00 0.00 C ATOM 1851 CG LYS A 128 -1.214 8.817 -10.664 1.00 0.00 C ATOM 1852 CD LYS A 128 -1.155 9.624 -11.958 1.00 0.00 C ATOM 1853 CE LYS A 128 -2.537 10.062 -12.416 1.00 0.00 C ATOM 1854 NZ LYS A 128 -2.474 10.939 -13.602 1.00 0.00 N ATOM 0 H LYS A 128 0.461 9.966 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.764 11.517 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.834 8.991 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.738 10.003 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.219 8.440 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.858 7.949 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.526 10.502 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.687 9.025 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.138 9.183 -12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -3.039 10.587 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -3.437 11.215 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -1.922 11.791 -13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -2.018 10.430 -14.386 1.00 0.00 H new ATOM 1868 N GLY A 129 -0.711 12.311 -7.150 1.00 0.00 N ATOM 1869 CA GLY A 129 -1.181 13.031 -5.969 1.00 0.00 C ATOM 1870 C GLY A 129 -2.175 14.159 -6.257 1.00 0.00 C ATOM 1871 O GLY A 129 -3.017 14.484 -5.399 1.00 0.00 O ATOM 0 H GLY A 129 0.294 12.385 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -1.649 12.319 -5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.319 13.449 -5.449 1.00 0.00 H new ATOM 1875 N GLY A 130 -2.080 14.769 -7.419 1.00 0.00 N ATOM 1876 CA GLY A 130 -2.988 15.840 -7.777 1.00 0.00 C ATOM 1877 C GLY A 130 -2.277 16.991 -8.447 1.00 0.00 C ATOM 1878 O GLY A 130 -2.238 17.074 -9.665 1.00 0.00 O ATOM 0 H GLY A 130 -1.385 14.543 -8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.758 15.453 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.494 16.200 -6.881 1.00 0.00 H new ATOM 1882 N ASN A 131 -1.701 17.860 -7.651 1.00 0.00 N ATOM 1883 CA ASN A 131 -0.950 19.021 -8.163 1.00 0.00 C ATOM 1884 C ASN A 131 0.446 18.882 -7.606 1.00 0.00 C ATOM 1885 O ASN A 131 0.630 18.008 -6.761 1.00 0.00 O ATOM 1886 CB ASN A 131 -1.615 20.358 -7.736 1.00 0.00 C ATOM 1887 CG ASN A 131 -1.055 21.574 -8.482 1.00 0.00 C ATOM 1888 OD1 ASN A 131 -1.488 21.875 -9.596 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -0.149 22.311 -7.876 1.00 0.00 N ATOM 0 H ASN A 131 -1.729 17.798 -6.633 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.936 19.041 -9.253 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.689 20.295 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.475 20.501 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 131 0.210 23.152 -8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 131 0.194 22.042 -6.954 1.00 0.00 H new ATOM 1896 N GLU A 132 1.417 19.729 -8.008 1.00 0.00 N ATOM 1897 CA GLU A 132 2.826 19.508 -7.615 1.00 0.00 C ATOM 1898 C GLU A 132 3.027 19.260 -6.093 1.00 0.00 C ATOM 1899 O GLU A 132 3.685 18.295 -5.699 1.00 0.00 O ATOM 1900 CB GLU A 132 3.730 20.628 -8.108 1.00 0.00 C ATOM 1901 CG GLU A 132 5.195 20.333 -7.887 1.00 0.00 C ATOM 1902 CD GLU A 132 6.095 21.440 -8.324 1.00 0.00 C ATOM 1903 OE1 GLU A 132 6.478 21.473 -9.495 1.00 0.00 O ATOM 1904 OE2 GLU A 132 6.457 22.286 -7.476 1.00 0.00 O ATOM 0 H GLU A 132 1.259 20.552 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 132 3.118 18.582 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 132 3.553 20.792 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.468 21.553 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 132 5.362 20.135 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 132 5.460 19.424 -8.427 1.00 0.00 H new ATOM 1911 N GLU A 133 2.407 20.081 -5.264 1.00 0.00 N ATOM 1912 CA GLU A 133 2.525 19.976 -3.804 1.00 0.00 C ATOM 1913 C GLU A 133 1.929 18.666 -3.316 1.00 0.00 C ATOM 1914 O GLU A 133 2.491 17.996 -2.442 1.00 0.00 O ATOM 1915 CB GLU A 133 1.784 21.120 -3.088 1.00 0.00 C ATOM 1916 CG GLU A 133 2.237 22.545 -3.410 1.00 0.00 C ATOM 1917 CD GLU A 133 2.005 22.930 -4.845 1.00 0.00 C ATOM 1918 OE1 GLU A 133 1.026 22.441 -5.451 1.00 0.00 O ATOM 1919 OE2 GLU A 133 2.825 23.678 -5.412 1.00 0.00 O ATOM 0 H GLU A 133 1.805 20.843 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 133 3.589 20.029 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.723 21.039 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.882 20.967 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.706 23.243 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 133 3.298 22.642 -3.181 1.00 0.00 H new ATOM 1926 N SER A 134 0.823 18.295 -3.918 1.00 0.00 N ATOM 1927 CA SER A 134 0.070 17.135 -3.526 1.00 0.00 C ATOM 1928 C SER A 134 0.818 15.855 -3.938 1.00 0.00 C ATOM 1929 O SER A 134 0.735 14.831 -3.267 1.00 0.00 O ATOM 1930 CB SER A 134 -1.325 17.201 -4.163 1.00 0.00 C ATOM 1931 OG SER A 134 -2.238 16.326 -3.533 1.00 0.00 O ATOM 0 H SER A 134 0.418 18.801 -4.706 1.00 0.00 H new ATOM 0 HA SER A 134 -0.045 17.114 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.702 18.222 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.252 16.949 -5.221 1.00 0.00 H new ATOM 0 HG SER A 134 -2.540 15.651 -4.176 1.00 0.00 H new ATOM 1937 N THR A 135 1.562 15.940 -5.025 1.00 0.00 N ATOM 1938 CA THR A 135 2.358 14.834 -5.528 1.00 0.00 C ATOM 1939 C THR A 135 3.545 14.550 -4.584 1.00 0.00 C ATOM 1940 O THR A 135 3.981 13.418 -4.435 1.00 0.00 O ATOM 1941 CB THR A 135 2.885 15.192 -6.934 1.00 0.00 C ATOM 1942 OG1 THR A 135 1.778 15.573 -7.782 1.00 0.00 O ATOM 1943 CG2 THR A 135 3.616 14.019 -7.581 1.00 0.00 C ATOM 0 H THR A 135 1.632 16.787 -5.590 1.00 0.00 H new ATOM 0 HA THR A 135 1.736 13.940 -5.580 1.00 0.00 H new ATOM 0 HB THR A 135 3.588 16.017 -6.822 1.00 0.00 H new ATOM 0 HG1 THR A 135 1.427 16.441 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 135 3.971 14.312 -8.569 1.00 0.00 H new ATOM 0 HG22 THR A 135 4.465 13.732 -6.960 1.00 0.00 H new ATOM 0 HG23 THR A 135 2.935 13.174 -7.676 1.00 0.00 H new ATOM 1951 N LYS A 136 4.033 15.588 -3.938 1.00 0.00 N ATOM 1952 CA LYS A 136 5.174 15.454 -3.044 1.00 0.00 C ATOM 1953 C LYS A 136 4.773 14.834 -1.733 1.00 0.00 C ATOM 1954 O LYS A 136 5.536 14.095 -1.121 1.00 0.00 O ATOM 1955 CB LYS A 136 5.796 16.808 -2.772 1.00 0.00 C ATOM 1956 CG LYS A 136 6.280 17.502 -4.005 1.00 0.00 C ATOM 1957 CD LYS A 136 6.971 18.814 -3.666 1.00 0.00 C ATOM 1958 CE LYS A 136 7.519 19.477 -4.914 1.00 0.00 C ATOM 1959 NZ LYS A 136 8.304 20.692 -4.608 1.00 0.00 N ATOM 0 H LYS A 136 3.661 16.535 -4.012 1.00 0.00 H new ATOM 0 HA LYS A 136 5.897 14.805 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.063 17.442 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.632 16.683 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.971 16.853 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.439 17.693 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.266 19.484 -3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.782 18.631 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.147 18.768 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.693 19.738 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.657 21.109 -5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.699 21.381 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.108 20.441 -3.998 1.00 0.00 H new ATOM 1973 N THR A 137 3.612 15.188 -1.282 1.00 0.00 N ATOM 1974 CA THR A 137 3.148 14.707 -0.034 1.00 0.00 C ATOM 1975 C THR A 137 2.471 13.357 -0.181 1.00 0.00 C ATOM 1976 O THR A 137 2.466 12.568 0.768 1.00 0.00 O ATOM 1977 CB THR A 137 2.205 15.737 0.662 1.00 0.00 C ATOM 1978 OG1 THR A 137 1.777 15.247 1.948 1.00 0.00 O ATOM 1979 CG2 THR A 137 0.981 16.062 -0.180 1.00 0.00 C ATOM 0 H THR A 137 2.969 15.813 -1.768 1.00 0.00 H new ATOM 0 HA THR A 137 4.019 14.574 0.608 1.00 0.00 H new ATOM 0 HB THR A 137 2.784 16.652 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 137 1.188 15.907 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 137 0.357 16.783 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 137 1.297 16.486 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 137 0.410 15.151 -0.359 1.00 0.00 H new ATOM 1987 N GLY A 138 1.931 13.089 -1.367 1.00 0.00 N ATOM 1988 CA GLY A 138 1.161 11.900 -1.568 1.00 0.00 C ATOM 1989 C GLY A 138 -0.046 11.956 -0.680 1.00 0.00 C ATOM 1990 O GLY A 138 -0.220 11.089 0.184 1.00 0.00 O ATOM 0 H GLY A 138 2.021 13.686 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.859 11.817 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 138 1.759 11.018 -1.338 1.00 0.00 H new ATOM 1994 N ASN A 139 -0.871 13.002 -0.899 1.00 0.00 N ATOM 1995 CA ASN A 139 -2.066 13.342 -0.062 1.00 0.00 C ATOM 1996 C ASN A 139 -2.854 12.101 0.385 1.00 0.00 C ATOM 1997 O ASN A 139 -3.417 11.378 -0.441 1.00 0.00 O ATOM 1998 CB ASN A 139 -2.984 14.292 -0.855 1.00 0.00 C ATOM 1999 CG ASN A 139 -4.189 14.781 -0.065 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -5.238 14.141 -0.051 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -4.070 15.930 0.545 1.00 0.00 N ATOM 0 H ASN A 139 -0.732 13.652 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 139 -1.705 13.827 0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -2.403 15.153 -1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -3.332 13.781 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -4.863 16.322 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -3.184 16.435 0.513 1.00 0.00 H new ATOM 2008 N ALA A 140 -2.930 11.867 1.684 1.00 0.00 N ATOM 2009 CA ALA A 140 -3.545 10.654 2.181 1.00 0.00 C ATOM 2010 C ALA A 140 -4.318 10.872 3.464 1.00 0.00 C ATOM 2011 O ALA A 140 -4.120 11.859 4.167 1.00 0.00 O ATOM 2012 CB ALA A 140 -2.479 9.596 2.417 1.00 0.00 C ATOM 0 H ALA A 140 -2.577 12.496 2.405 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.254 10.325 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -2.947 8.685 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -1.965 9.382 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.760 9.962 3.150 1.00 0.00 H new ATOM 2018 N GLY A 141 -5.198 9.926 3.755 1.00 0.00 N ATOM 2019 CA GLY A 141 -5.916 9.912 5.000 1.00 0.00 C ATOM 2020 C GLY A 141 -5.062 9.201 6.011 1.00 0.00 C ATOM 2021 O GLY A 141 -5.269 8.027 6.303 1.00 0.00 O ATOM 0 H GLY A 141 -5.427 9.153 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -6.132 10.929 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.874 9.405 4.884 1.00 0.00 H new ATOM 2025 N SER A 142 -4.136 9.950 6.538 1.00 0.00 N ATOM 2026 CA SER A 142 -3.012 9.513 7.353 1.00 0.00 C ATOM 2027 C SER A 142 -3.267 8.439 8.425 1.00 0.00 C ATOM 2028 O SER A 142 -2.406 7.608 8.654 1.00 0.00 O ATOM 2029 CB SER A 142 -2.382 10.759 7.966 1.00 0.00 C ATOM 2030 OG SER A 142 -3.400 11.619 8.490 1.00 0.00 O ATOM 0 H SER A 142 -4.137 10.961 6.405 1.00 0.00 H new ATOM 0 HA SER A 142 -2.348 8.982 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 142 -1.692 10.474 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.799 11.289 7.213 1.00 0.00 H new ATOM 0 HG SER A 142 -2.985 12.415 8.883 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.357 8.491 9.090 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.613 7.557 10.156 1.00 0.00 C ATOM 2038 C ARG A 143 -5.997 7.052 9.999 1.00 0.00 C ATOM 2039 O ARG A 143 -6.552 6.423 10.911 1.00 0.00 O ATOM 2040 CB ARG A 143 -4.486 8.247 11.532 1.00 0.00 C ATOM 2041 CG ARG A 143 -5.486 9.381 11.739 1.00 0.00 C ATOM 2042 CD ARG A 143 -5.473 9.919 13.155 1.00 0.00 C ATOM 2043 NE ARG A 143 -6.485 10.972 13.324 1.00 0.00 N ATOM 2044 CZ ARG A 143 -7.125 11.275 14.461 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -6.885 10.596 15.575 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -8.016 12.258 14.475 1.00 0.00 N ATOM 0 H ARG A 143 -5.101 9.169 8.926 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.887 6.745 10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -4.625 7.503 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.475 8.640 11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.260 10.190 11.045 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.488 9.025 11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.664 9.109 13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.485 10.317 13.388 1.00 0.00 H new ATOM 0 HE ARG A 143 -6.722 11.523 12.499 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -6.207 9.834 15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.379 10.836 16.435 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -8.212 12.781 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.505 12.491 15.339 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.563 7.311 8.849 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.946 7.028 8.624 1.00 0.00 C ATOM 2062 C LEU A 144 -8.131 5.528 8.592 1.00 0.00 C ATOM 2063 O LEU A 144 -9.105 5.001 9.144 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.418 7.687 7.310 1.00 0.00 C ATOM 2065 CG LEU A 144 -9.907 8.102 7.209 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.859 6.928 7.385 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -10.221 9.211 8.202 1.00 0.00 C ATOM 0 H LEU A 144 -6.078 7.721 8.051 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.553 7.442 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -7.810 8.576 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.206 6.997 6.493 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.064 8.478 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.888 7.279 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.667 6.185 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.705 6.478 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -11.271 9.489 8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -10.020 8.861 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -9.597 10.079 7.988 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.172 4.846 8.019 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.221 3.441 7.887 1.00 0.00 C ATOM 2081 C ALA A 145 -5.833 2.902 7.898 1.00 0.00 C ATOM 2082 O ALA A 145 -5.080 3.071 6.935 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.938 3.043 6.619 1.00 0.00 C ATOM 0 H ALA A 145 -6.330 5.272 7.631 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.779 3.022 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -7.962 1.956 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.957 3.428 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.412 3.457 5.759 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.490 2.300 8.988 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.200 1.730 9.169 1.00 0.00 C ATOM 2091 C CYS A 146 -4.402 0.245 9.299 1.00 0.00 C ATOM 2092 O CYS A 146 -5.535 -0.202 9.486 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.575 2.270 10.448 1.00 0.00 C ATOM 2094 SG CYS A 146 -3.682 4.086 10.653 1.00 0.00 S ATOM 0 H CYS A 146 -6.110 2.189 9.790 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.541 1.972 8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -4.059 1.794 11.301 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -2.525 1.978 10.473 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.372 -0.523 9.140 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.522 -1.919 9.322 1.00 0.00 C ATOM 2101 C GLY A 147 -2.228 -2.624 9.302 1.00 0.00 C ATOM 2102 O GLY A 147 -1.352 -2.248 8.534 1.00 0.00 O ATOM 0 H GLY A 147 -2.435 -0.208 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -4.023 -2.108 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -4.164 -2.319 8.538 1.00 0.00 H new ATOM 2106 N VAL A 148 -2.088 -3.610 10.147 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.935 -4.459 10.151 1.00 0.00 C ATOM 2108 C VAL A 148 -0.970 -5.341 8.887 1.00 0.00 C ATOM 2109 O VAL A 148 -1.739 -6.308 8.769 1.00 0.00 O ATOM 2110 CB VAL A 148 -0.830 -5.321 11.479 1.00 0.00 C ATOM 2111 CG1 VAL A 148 -2.020 -6.256 11.691 1.00 0.00 C ATOM 2112 CG2 VAL A 148 0.464 -6.099 11.529 1.00 0.00 C ATOM 0 H VAL A 148 -2.780 -3.846 10.858 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.036 -3.843 10.134 1.00 0.00 H new ATOM 0 HB VAL A 148 -0.844 -4.602 12.298 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -1.883 -6.815 12.617 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -2.937 -5.670 11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -2.090 -6.951 10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.505 -6.679 12.451 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.517 -6.773 10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 148 1.306 -5.407 11.498 1.00 0.00 H new ATOM 2122 N ILE A 149 -0.239 -4.938 7.902 1.00 0.00 N ATOM 2123 CA ILE A 149 -0.190 -5.680 6.680 1.00 0.00 C ATOM 2124 C ILE A 149 1.146 -6.277 6.635 1.00 0.00 C ATOM 2125 O ILE A 149 2.100 -5.594 6.802 1.00 0.00 O ATOM 2126 CB ILE A 149 -0.347 -4.778 5.445 1.00 0.00 C ATOM 2127 CG1 ILE A 149 -1.509 -3.818 5.616 1.00 0.00 C ATOM 2128 CG2 ILE A 149 -0.533 -5.613 4.184 1.00 0.00 C ATOM 2129 CD1 ILE A 149 -2.834 -4.473 5.902 1.00 0.00 C ATOM 0 H ILE A 149 0.336 -4.096 7.916 1.00 0.00 H new ATOM 0 HA ILE A 149 -1.001 -6.409 6.659 1.00 0.00 H new ATOM 0 HB ILE A 149 0.568 -4.194 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -1.277 -3.130 6.429 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -1.604 -3.220 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.642 -4.953 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.336 -6.255 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -1.427 -6.229 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.603 -3.708 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.096 -5.139 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -2.764 -5.048 6.826 1.00 0.00 H new ATOM 2141 N GLY A 150 1.251 -7.495 6.402 1.00 0.00 N ATOM 2142 CA GLY A 150 2.533 -8.043 6.481 1.00 0.00 C ATOM 2143 C GLY A 150 2.692 -9.131 5.574 1.00 0.00 C ATOM 2144 O GLY A 150 1.748 -9.833 5.292 1.00 0.00 O ATOM 0 H GLY A 150 0.493 -8.133 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.273 -7.274 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 150 2.722 -8.385 7.498 1.00 0.00 H new ATOM 2148 N ILE A 151 3.854 -9.289 5.078 1.00 0.00 N ATOM 2149 CA ILE A 151 4.131 -10.406 4.279 1.00 0.00 C ATOM 2150 C ILE A 151 4.349 -11.596 5.190 1.00 0.00 C ATOM 2151 O ILE A 151 5.375 -11.678 5.893 1.00 0.00 O ATOM 2152 CB ILE A 151 5.358 -10.142 3.390 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.051 -9.000 2.407 1.00 0.00 C ATOM 2154 CG2 ILE A 151 5.792 -11.403 2.659 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.196 -8.633 1.501 1.00 0.00 C ATOM 0 H ILE A 151 4.636 -8.649 5.215 1.00 0.00 H new ATOM 0 HA ILE A 151 3.294 -10.612 3.611 1.00 0.00 H new ATOM 0 HB ILE A 151 6.191 -9.840 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.196 -9.285 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.756 -8.118 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 151 6.661 -11.183 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.050 -12.174 3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.977 -11.757 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 151 5.892 -7.820 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 151 7.048 -8.314 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 151 6.478 -9.499 0.903 1.00 0.00 H new ATOM 2167 N ALA A 152 3.337 -12.449 5.253 1.00 0.00 N ATOM 2168 CA ALA A 152 3.392 -13.679 5.990 1.00 0.00 C ATOM 2169 C ALA A 152 3.026 -14.812 5.059 1.00 0.00 C ATOM 2170 O ALA A 152 1.996 -14.758 4.370 1.00 0.00 O ATOM 2171 CB ALA A 152 2.458 -13.633 7.183 1.00 0.00 C ATOM 0 H ALA A 152 2.446 -12.293 4.782 1.00 0.00 H new ATOM 0 HA ALA A 152 4.400 -13.834 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.516 -14.576 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 152 2.750 -12.815 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 152 1.436 -13.475 6.839 1.00 0.00 H new ATOM 2177 N GLN A 153 3.856 -15.802 5.032 1.00 0.00 N ATOM 2178 CA GLN A 153 3.726 -16.907 4.131 1.00 0.00 C ATOM 2179 C GLN A 153 3.842 -18.217 4.877 1.00 0.00 C ATOM 2180 O GLN A 153 4.917 -18.517 5.414 1.00 0.00 O ATOM 2181 CB GLN A 153 4.756 -16.787 2.997 1.00 0.00 C ATOM 2182 CG GLN A 153 6.167 -16.461 3.475 1.00 0.00 C ATOM 2183 CD GLN A 153 7.147 -16.321 2.347 1.00 0.00 C ATOM 2184 OE1 GLN A 153 7.326 -15.230 1.809 1.00 0.00 O ATOM 2185 NE2 GLN A 153 7.777 -17.400 1.968 1.00 0.00 N ATOM 2186 OXT GLN A 153 2.857 -18.969 4.932 1.00 0.00 O ATOM 0 H GLN A 153 4.665 -15.870 5.650 1.00 0.00 H new ATOM 0 HA GLN A 153 2.736 -16.887 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 153 4.779 -17.724 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 153 4.430 -16.012 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 153 6.146 -15.534 4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 153 6.507 -17.246 4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 153 7.600 -18.286 2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 153 8.446 -17.356 1.199 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.505 6.446 0.163 1.00 0.00 CU