USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 961 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 MET CE :methyl -162:sc= -0.0758 (180deg=-0.557) USER MOD Set 1.2: A 104 MET CE :methyl 172:sc=-9.88e-06 (180deg=-0.0539) USER MOD Set 1.3: A 115 HIS : no HD1:sc= -0.353 K(o=-0.24,f=0.28) USER MOD Set 1.4: A 119 GLN : amide:sc= 0.191 X(o=-0.24,f=-0.17) USER MOD Set 2.1: A 85 GLN : amide:sc= 1.67 K(o=3.3,f=-3.9!) USER MOD Set 2.2: A 125 SER OG : rot 104:sc= 1.59 USER MOD Set 3.1: A 21 TYR OH : rot -177:sc= 0.206 USER MOD Set 3.2: A 23 HIS : no HE2:sc= -0.178 K(o=0.25,f=-3!) USER MOD Set 3.3: A 113 CYS SG : rot -30:sc= 0.218 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.032) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= 0.796 K(o=0.8,f=-2.5!) USER MOD Single : A 6 GLN : amide:sc= 0.985 K(o=0.99,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 2.2 (180deg=2.18) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0104 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0.233 K(o=0.23,f=-0.87) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -170:sc= 1.32 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.398 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.571 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.766) USER MOD Single : A 72 CYS SG : rot 170:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.6) USER MOD Single : A 78 ASN : amide:sc= 0.643 K(o=0.64,f=-5.7!) USER MOD Single : A 79 SER OG : rot 180:sc=0.000492 USER MOD Single : A 82 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 58:sc= 1.2 USER MOD Single : A 95 SER OG : rot -158:sc= 1.01 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.63) USER MOD Single : A 103 LYS NZ :NH3+ -156:sc= 1.27 (180deg=1.1) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.957 K(o=0.96,f=-3.4!) USER MOD Single : A 118 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.074 -3.630 -10.970 1.00 0.00 N ATOM 2 CA MET A 1 3.100 -4.339 -9.657 1.00 0.00 C ATOM 3 C MET A 1 2.077 -5.488 -9.637 1.00 0.00 C ATOM 4 O MET A 1 0.872 -5.238 -9.693 1.00 0.00 O ATOM 5 CB MET A 1 2.883 -3.347 -8.490 1.00 0.00 C ATOM 6 CG MET A 1 2.918 -3.984 -7.090 1.00 0.00 C ATOM 7 SD MET A 1 4.427 -4.912 -6.686 1.00 0.00 S ATOM 8 CE MET A 1 4.164 -5.136 -4.906 1.00 0.00 C ATOM 0 H1 MET A 1 3.772 -2.859 -10.962 1.00 0.00 H new ATOM 0 H2 MET A 1 3.307 -4.300 -11.731 1.00 0.00 H new ATOM 0 H3 MET A 1 2.125 -3.237 -11.134 1.00 0.00 H new ATOM 0 HA MET A 1 4.087 -4.782 -9.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.649 -2.573 -8.542 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.921 -2.853 -8.625 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.789 -3.196 -6.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.064 -4.655 -6.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.964 -5.752 -4.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.165 -4.164 -4.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.205 -5.627 -4.739 1.00 0.00 H new ATOM 20 N ALA A 2 2.545 -6.745 -9.582 1.00 0.00 N ATOM 21 CA ALA A 2 1.687 -7.939 -9.628 1.00 0.00 C ATOM 22 C ALA A 2 1.158 -8.374 -8.246 1.00 0.00 C ATOM 23 O ALA A 2 0.022 -8.835 -8.135 1.00 0.00 O ATOM 24 CB ALA A 2 2.488 -9.066 -10.294 1.00 0.00 C ATOM 0 H ALA A 2 3.538 -6.963 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 2 0.794 -7.699 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.877 -9.967 -10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.771 -8.764 -11.303 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.386 -9.268 -9.710 1.00 0.00 H new ATOM 30 N SER A 3 1.971 -8.247 -7.197 1.00 0.00 N ATOM 31 CA SER A 3 1.619 -8.685 -5.833 1.00 0.00 C ATOM 32 C SER A 3 0.682 -7.692 -5.100 1.00 0.00 C ATOM 33 O SER A 3 0.700 -6.491 -5.408 1.00 0.00 O ATOM 34 CB SER A 3 2.898 -8.898 -5.002 1.00 0.00 C ATOM 35 OG SER A 3 3.756 -9.852 -5.618 1.00 0.00 O ATOM 0 H SER A 3 2.902 -7.835 -7.264 1.00 0.00 H new ATOM 0 HA SER A 3 1.074 -9.623 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.424 -7.950 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.633 -9.236 -4.000 1.00 0.00 H new ATOM 0 HG SER A 3 4.562 -9.968 -5.072 1.00 0.00 H new ATOM 41 N PRO A 4 -0.110 -8.151 -4.102 1.00 0.00 N ATOM 42 CA PRO A 4 -0.880 -7.281 -3.204 1.00 0.00 C ATOM 43 C PRO A 4 0.005 -6.325 -2.393 1.00 0.00 C ATOM 44 O PRO A 4 1.191 -6.579 -2.180 1.00 0.00 O ATOM 45 CB PRO A 4 -1.660 -8.214 -2.272 1.00 0.00 C ATOM 46 CG PRO A 4 -1.715 -9.536 -3.031 1.00 0.00 C ATOM 47 CD PRO A 4 -0.390 -9.547 -3.785 1.00 0.00 C ATOM 0 HA PRO A 4 -1.538 -6.638 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.159 -8.327 -1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.659 -7.830 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.803 -10.387 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.567 -9.578 -3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.405 -9.978 -3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.459 -10.149 -4.691 1.00 0.00 H new ATOM 55 N HIS A 5 -0.584 -5.228 -1.902 1.00 0.00 N ATOM 56 CA HIS A 5 0.137 -4.204 -1.139 1.00 0.00 C ATOM 57 C HIS A 5 0.370 -4.623 0.330 1.00 0.00 C ATOM 58 O HIS A 5 -0.577 -4.811 1.103 1.00 0.00 O ATOM 59 CB HIS A 5 -0.624 -2.872 -1.239 1.00 0.00 C ATOM 60 CG HIS A 5 0.089 -1.734 -0.547 1.00 0.00 C ATOM 61 ND1 HIS A 5 -0.343 -1.069 0.576 1.00 0.00 N ATOM 62 CD2 HIS A 5 1.288 -1.179 -0.909 1.00 0.00 C ATOM 63 CE1 HIS A 5 0.573 -0.134 0.886 1.00 0.00 C ATOM 64 NE2 HIS A 5 1.594 -0.163 0.007 1.00 0.00 N ATOM 0 H HIS A 5 -1.576 -5.026 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 5 1.129 -4.082 -1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.767 -2.619 -2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.615 -2.992 -0.802 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -1.207 -1.253 1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.893 -1.473 -1.754 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.500 0.545 1.723 1.00 0.00 H new ATOM 72 N GLN A 6 1.639 -4.713 0.747 1.00 0.00 N ATOM 73 CA GLN A 6 2.046 -5.083 2.104 1.00 0.00 C ATOM 74 C GLN A 6 3.158 -4.127 2.588 1.00 0.00 C ATOM 75 O GLN A 6 4.312 -4.233 2.172 1.00 0.00 O ATOM 76 CB GLN A 6 2.492 -6.560 2.102 1.00 0.00 C ATOM 77 CG GLN A 6 2.773 -7.103 3.513 1.00 0.00 C ATOM 78 CD GLN A 6 3.334 -8.531 3.469 1.00 0.00 C ATOM 79 OE1 GLN A 6 4.538 -8.751 3.507 1.00 0.00 O ATOM 80 NE2 GLN A 6 2.500 -9.547 3.353 1.00 0.00 N ATOM 0 H GLN A 6 2.431 -4.525 0.132 1.00 0.00 H new ATOM 0 HA GLN A 6 1.215 -4.986 2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.718 -7.167 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.391 -6.662 1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.482 -6.449 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.853 -7.091 4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.494 -9.380 3.320 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.861 -10.499 3.296 1.00 0.00 H new ATOM 89 N GLU A 7 2.808 -3.199 3.489 1.00 0.00 N ATOM 90 CA GLU A 7 3.728 -2.228 4.102 1.00 0.00 C ATOM 91 C GLU A 7 3.214 -1.851 5.512 1.00 0.00 C ATOM 92 O GLU A 7 2.517 -0.840 5.658 1.00 0.00 O ATOM 93 CB GLU A 7 3.861 -0.998 3.179 1.00 0.00 C ATOM 94 CG GLU A 7 4.969 -0.041 3.640 1.00 0.00 C ATOM 95 CD GLU A 7 4.912 1.273 2.849 1.00 0.00 C ATOM 96 OE1 GLU A 7 4.012 2.102 3.131 1.00 0.00 O ATOM 97 OE2 GLU A 7 5.774 1.490 1.963 1.00 0.00 O ATOM 0 H GLU A 7 1.849 -3.099 3.822 1.00 0.00 H new ATOM 0 HA GLU A 7 4.721 -2.662 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.071 -1.330 2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.911 -0.464 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.860 0.164 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.943 -0.511 3.504 1.00 0.00 H new ATOM 104 N PRO A 8 3.480 -2.678 6.545 1.00 0.00 N ATOM 105 CA PRO A 8 2.969 -2.451 7.894 1.00 0.00 C ATOM 106 C PRO A 8 3.783 -1.356 8.598 1.00 0.00 C ATOM 107 O PRO A 8 5.000 -1.468 8.745 1.00 0.00 O ATOM 108 CB PRO A 8 3.065 -3.809 8.598 1.00 0.00 C ATOM 109 CG PRO A 8 4.261 -4.475 7.919 1.00 0.00 C ATOM 110 CD PRO A 8 4.181 -3.956 6.480 1.00 0.00 C ATOM 0 HA PRO A 8 1.940 -2.093 7.900 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.223 -3.696 9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.154 -4.393 8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.201 -4.197 8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.193 -5.562 7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.177 -3.832 6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.648 -4.660 5.842 1.00 0.00 H new ATOM 118 N LYS A 9 3.089 -0.309 9.057 1.00 0.00 N ATOM 119 CA LYS A 9 3.651 0.829 9.811 1.00 0.00 C ATOM 120 C LYS A 9 2.544 1.569 10.612 1.00 0.00 C ATOM 121 O LYS A 9 1.362 1.387 10.292 1.00 0.00 O ATOM 122 CB LYS A 9 4.503 1.723 8.869 1.00 0.00 C ATOM 123 CG LYS A 9 3.770 2.796 8.050 1.00 0.00 C ATOM 124 CD LYS A 9 2.987 2.247 6.850 1.00 0.00 C ATOM 125 CE LYS A 9 2.489 3.437 6.019 1.00 0.00 C ATOM 126 NZ LYS A 9 1.887 3.001 4.737 1.00 0.00 N ATOM 0 H LYS A 9 2.083 -0.223 8.911 1.00 0.00 H new ATOM 0 HA LYS A 9 4.342 0.472 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.261 2.222 9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.030 1.071 8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.081 3.330 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.498 3.524 7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.622 1.600 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.146 1.642 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.752 3.999 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.320 4.113 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.625 3.836 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.575 2.429 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.038 2.432 4.928 1.00 0.00 H new ATOM 140 N PRO A 10 2.871 2.380 11.643 1.00 0.00 N ATOM 141 CA PRO A 10 1.875 2.920 12.568 1.00 0.00 C ATOM 142 C PRO A 10 0.869 3.853 11.891 1.00 0.00 C ATOM 143 O PRO A 10 1.229 4.694 11.067 1.00 0.00 O ATOM 144 CB PRO A 10 2.658 3.576 13.712 1.00 0.00 C ATOM 145 CG PRO A 10 3.984 3.950 13.061 1.00 0.00 C ATOM 146 CD PRO A 10 4.204 2.825 12.048 1.00 0.00 C ATOM 0 HA PRO A 10 1.240 2.125 12.959 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.141 4.452 14.103 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.799 2.890 14.547 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.934 4.925 12.576 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.792 3.998 13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.775 3.179 11.189 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.771 2.006 12.491 1.00 0.00 H new ATOM 154 N GLY A 11 -0.406 3.658 12.252 1.00 0.00 N ATOM 155 CA GLY A 11 -1.561 4.381 11.712 1.00 0.00 C ATOM 156 C GLY A 11 -2.307 3.654 10.591 1.00 0.00 C ATOM 157 O GLY A 11 -3.456 4.001 10.319 1.00 0.00 O ATOM 0 H GLY A 11 -0.669 2.967 12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.260 4.580 12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.224 5.348 11.338 1.00 0.00 H new ATOM 161 N ASP A 12 -1.689 2.655 9.961 1.00 0.00 N ATOM 162 CA ASP A 12 -2.327 1.851 8.917 1.00 0.00 C ATOM 163 C ASP A 12 -3.059 0.631 9.487 1.00 0.00 C ATOM 164 O ASP A 12 -2.668 0.055 10.510 1.00 0.00 O ATOM 165 CB ASP A 12 -1.314 1.432 7.839 1.00 0.00 C ATOM 166 CG ASP A 12 -1.078 2.498 6.752 1.00 0.00 C ATOM 167 OD1 ASP A 12 -1.357 3.701 6.972 1.00 0.00 O ATOM 168 OD2 ASP A 12 -0.590 2.115 5.661 1.00 0.00 O ATOM 0 H ASP A 12 -0.728 2.379 10.161 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.080 2.485 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.363 1.201 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.663 0.515 7.364 1.00 0.00 H new ATOM 173 N LEU A 13 -4.128 0.234 8.785 1.00 0.00 N ATOM 174 CA LEU A 13 -4.917 -0.958 9.080 1.00 0.00 C ATOM 175 C LEU A 13 -4.671 -2.067 8.047 1.00 0.00 C ATOM 176 O LEU A 13 -4.494 -1.833 6.849 1.00 0.00 O ATOM 177 CB LEU A 13 -6.394 -0.587 9.306 1.00 0.00 C ATOM 178 CG LEU A 13 -7.130 -0.022 8.075 1.00 0.00 C ATOM 179 CD1 LEU A 13 -7.980 -1.109 7.411 1.00 0.00 C ATOM 180 CD2 LEU A 13 -8.029 1.154 8.476 1.00 0.00 C ATOM 0 H LEU A 13 -4.473 0.750 7.976 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.582 -1.392 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.925 -1.474 9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.448 0.148 10.109 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.379 0.328 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.492 -0.692 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.337 -1.930 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.717 -1.481 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.540 1.539 7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.767 0.816 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.420 1.944 8.916 1.00 0.00 H new ATOM 192 N ILE A 14 -4.606 -3.288 8.565 1.00 0.00 N ATOM 193 CA ILE A 14 -3.986 -4.470 7.955 1.00 0.00 C ATOM 194 C ILE A 14 -5.033 -5.583 7.915 1.00 0.00 C ATOM 195 O ILE A 14 -5.613 -5.897 8.951 1.00 0.00 O ATOM 196 CB ILE A 14 -2.771 -4.910 8.820 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.800 -3.734 9.116 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.042 -6.091 8.149 1.00 0.00 C ATOM 199 CD1 ILE A 14 -0.626 -4.091 10.031 1.00 0.00 C ATOM 0 H ILE A 14 -5.008 -3.498 9.479 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.638 -4.251 6.946 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.153 -5.240 9.786 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.406 -3.359 8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.364 -2.920 9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.193 -6.391 8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.729 -6.931 8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.688 -5.788 7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.002 -3.210 10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.006 -4.436 10.993 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.033 -4.881 9.571 1.00 0.00 H new ATOM 211 N GLU A 15 -5.265 -6.187 6.754 1.00 0.00 N ATOM 212 CA GLU A 15 -6.088 -7.387 6.614 1.00 0.00 C ATOM 213 C GLU A 15 -5.191 -8.615 6.797 1.00 0.00 C ATOM 214 O GLU A 15 -4.240 -8.801 6.037 1.00 0.00 O ATOM 215 CB GLU A 15 -6.752 -7.400 5.230 1.00 0.00 C ATOM 216 CG GLU A 15 -7.756 -8.548 5.089 1.00 0.00 C ATOM 217 CD GLU A 15 -8.300 -8.631 3.658 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.523 -9.006 2.746 1.00 0.00 O ATOM 219 OE2 GLU A 15 -9.499 -8.339 3.436 1.00 0.00 O ATOM 0 H GLU A 15 -4.882 -5.853 5.870 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.875 -7.399 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.260 -6.450 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.986 -7.491 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.276 -9.490 5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.580 -8.402 5.787 1.00 0.00 H new ATOM 226 N ILE A 16 -5.477 -9.453 7.795 1.00 0.00 N ATOM 227 CA ILE A 16 -4.649 -10.612 8.174 1.00 0.00 C ATOM 228 C ILE A 16 -5.495 -11.890 8.120 1.00 0.00 C ATOM 229 O ILE A 16 -6.602 -11.928 8.659 1.00 0.00 O ATOM 230 CB ILE A 16 -4.057 -10.394 9.593 1.00 0.00 C ATOM 231 CG1 ILE A 16 -3.239 -9.082 9.677 1.00 0.00 C ATOM 232 CG2 ILE A 16 -3.177 -11.599 9.972 1.00 0.00 C ATOM 233 CD1 ILE A 16 -2.734 -8.707 11.075 1.00 0.00 C ATOM 0 H ILE A 16 -6.307 -9.347 8.378 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.822 -10.717 7.472 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.883 -10.307 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.381 -9.166 9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.856 -8.265 9.301 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.761 -11.447 10.968 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.781 -12.507 9.966 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.365 -11.698 9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.174 -7.773 11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.583 -8.583 11.747 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.085 -9.498 11.452 1.00 0.00 H new ATOM 245 N PHE A 17 -4.963 -12.965 7.531 1.00 0.00 N ATOM 246 CA PHE A 17 -5.574 -14.298 7.536 1.00 0.00 C ATOM 247 C PHE A 17 -5.332 -14.991 8.898 1.00 0.00 C ATOM 248 O PHE A 17 -4.595 -15.971 9.006 1.00 0.00 O ATOM 249 CB PHE A 17 -5.041 -15.069 6.314 1.00 0.00 C ATOM 250 CG PHE A 17 -5.781 -16.353 5.983 1.00 0.00 C ATOM 251 CD1 PHE A 17 -7.058 -16.290 5.394 1.00 0.00 C ATOM 252 CD2 PHE A 17 -5.185 -17.609 6.210 1.00 0.00 C ATOM 253 CE1 PHE A 17 -7.726 -17.466 5.016 1.00 0.00 C ATOM 254 CE2 PHE A 17 -5.852 -18.788 5.831 1.00 0.00 C ATOM 255 CZ PHE A 17 -7.117 -18.717 5.222 1.00 0.00 C ATOM 0 H PHE A 17 -4.077 -12.932 7.027 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.659 -14.251 7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.081 -14.412 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.991 -15.308 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.527 -15.331 5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.213 -17.667 6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.707 -17.410 4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.392 -19.749 6.008 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.620 -19.621 4.913 1.00 0.00 H new ATOM 265 N ARG A 18 -5.940 -14.435 9.959 1.00 0.00 N ATOM 266 CA ARG A 18 -5.705 -14.764 11.381 1.00 0.00 C ATOM 267 C ARG A 18 -5.897 -16.253 11.713 1.00 0.00 C ATOM 268 O ARG A 18 -5.049 -16.836 12.388 1.00 0.00 O ATOM 269 CB ARG A 18 -6.574 -13.814 12.246 1.00 0.00 C ATOM 270 CG ARG A 18 -5.998 -13.455 13.631 1.00 0.00 C ATOM 271 CD ARG A 18 -5.975 -14.579 14.674 1.00 0.00 C ATOM 272 NE ARG A 18 -5.376 -14.114 15.942 1.00 0.00 N ATOM 273 CZ ARG A 18 -4.115 -14.280 16.341 1.00 0.00 C ATOM 274 NH1 ARG A 18 -3.245 -14.968 15.636 1.00 0.00 N ATOM 275 NH2 ARG A 18 -3.700 -13.737 17.464 1.00 0.00 N ATOM 0 H ARG A 18 -6.645 -13.707 9.846 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.654 -14.598 11.616 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.734 -12.891 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.552 -14.274 12.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.978 -13.096 13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.576 -12.625 14.036 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.990 -14.932 14.855 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.407 -15.426 14.289 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.993 -13.612 16.580 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.527 -15.395 14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.288 -15.075 15.971 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.344 -13.187 18.033 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.734 -13.866 17.767 1.00 0.00 H new ATOM 289 N LEU A 19 -6.996 -16.868 11.254 1.00 0.00 N ATOM 290 CA LEU A 19 -7.438 -18.195 11.726 1.00 0.00 C ATOM 291 C LEU A 19 -8.290 -18.980 10.704 1.00 0.00 C ATOM 292 O LEU A 19 -9.252 -19.663 11.057 1.00 0.00 O ATOM 293 CB LEU A 19 -8.051 -18.045 13.143 1.00 0.00 C ATOM 294 CG LEU A 19 -9.126 -16.956 13.367 1.00 0.00 C ATOM 295 CD1 LEU A 19 -10.364 -17.087 12.466 1.00 0.00 C ATOM 296 CD2 LEU A 19 -9.561 -16.970 14.838 1.00 0.00 C ATOM 0 H LEU A 19 -7.606 -16.462 10.545 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.570 -18.848 11.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.488 -19.005 13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.235 -17.854 13.840 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.659 -16.009 13.097 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.065 -16.283 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.062 -17.023 11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.845 -18.048 12.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.319 -16.204 15.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.974 -17.948 15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.699 -16.769 15.474 1.00 0.00 H new ATOM 308 N GLY A 20 -7.937 -18.863 9.417 1.00 0.00 N ATOM 309 CA GLY A 20 -8.689 -19.454 8.295 1.00 0.00 C ATOM 310 C GLY A 20 -9.707 -18.498 7.659 1.00 0.00 C ATOM 311 O GLY A 20 -10.557 -18.934 6.880 1.00 0.00 O ATOM 0 H GLY A 20 -7.109 -18.348 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.985 -19.781 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.211 -20.343 8.648 1.00 0.00 H new ATOM 315 N TYR A 21 -9.633 -17.205 7.996 1.00 0.00 N ATOM 316 CA TYR A 21 -10.594 -16.152 7.656 1.00 0.00 C ATOM 317 C TYR A 21 -9.972 -14.769 7.937 1.00 0.00 C ATOM 318 O TYR A 21 -9.301 -14.572 8.956 1.00 0.00 O ATOM 319 CB TYR A 21 -11.905 -16.413 8.427 1.00 0.00 C ATOM 320 CG TYR A 21 -12.738 -15.196 8.781 1.00 0.00 C ATOM 321 CD1 TYR A 21 -13.482 -14.513 7.796 1.00 0.00 C ATOM 322 CD2 TYR A 21 -12.773 -14.756 10.118 1.00 0.00 C ATOM 323 CE1 TYR A 21 -14.229 -13.370 8.146 1.00 0.00 C ATOM 324 CE2 TYR A 21 -13.524 -13.626 10.474 1.00 0.00 C ATOM 325 CZ TYR A 21 -14.234 -12.911 9.483 1.00 0.00 C ATOM 326 OH TYR A 21 -14.885 -11.765 9.821 1.00 0.00 O ATOM 0 H TYR A 21 -8.853 -16.845 8.546 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.838 -16.163 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.522 -17.087 7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.659 -16.938 9.350 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.479 -14.865 6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.218 -15.292 10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -14.798 -12.845 7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.560 -13.303 11.504 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.741 -11.575 10.772 1.00 0.00 H new ATOM 336 N GLU A 22 -10.136 -13.839 6.998 1.00 0.00 N ATOM 337 CA GLU A 22 -9.516 -12.514 6.989 1.00 0.00 C ATOM 338 C GLU A 22 -10.109 -11.582 8.061 1.00 0.00 C ATOM 339 O GLU A 22 -11.321 -11.369 8.101 1.00 0.00 O ATOM 340 CB GLU A 22 -9.682 -11.850 5.609 1.00 0.00 C ATOM 341 CG GLU A 22 -9.071 -12.626 4.431 1.00 0.00 C ATOM 342 CD GLU A 22 -10.098 -13.532 3.718 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.665 -14.449 4.359 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.335 -13.331 2.504 1.00 0.00 O ATOM 0 H GLU A 22 -10.732 -13.995 6.185 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.460 -12.665 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.746 -11.709 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.230 -10.859 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.655 -11.920 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.244 -13.236 4.793 1.00 0.00 H new ATOM 351 N HIS A 23 -9.256 -10.971 8.887 1.00 0.00 N ATOM 352 CA HIS A 23 -9.649 -10.033 9.947 1.00 0.00 C ATOM 353 C HIS A 23 -8.704 -8.815 10.023 1.00 0.00 C ATOM 354 O HIS A 23 -7.526 -8.913 9.679 1.00 0.00 O ATOM 355 CB HIS A 23 -9.722 -10.784 11.296 1.00 0.00 C ATOM 356 CG HIS A 23 -11.071 -10.691 11.960 1.00 0.00 C ATOM 357 ND1 HIS A 23 -11.328 -10.456 13.290 1.00 0.00 N ATOM 358 CD2 HIS A 23 -12.282 -10.845 11.350 1.00 0.00 C ATOM 359 CE1 HIS A 23 -12.661 -10.471 13.470 1.00 0.00 C ATOM 360 NE2 HIS A 23 -13.292 -10.690 12.305 1.00 0.00 N ATOM 0 H HIS A 23 -8.248 -11.117 8.838 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.636 -9.636 9.709 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -9.477 -11.834 11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.965 -10.381 11.969 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -10.628 -10.298 14.015 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.435 -11.053 10.301 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.155 -10.327 14.419 1.00 0.00 H new ATOM 368 N TRP A 24 -9.222 -7.663 10.469 1.00 0.00 N ATOM 369 CA TRP A 24 -8.461 -6.410 10.514 1.00 0.00 C ATOM 370 C TRP A 24 -7.623 -6.235 11.789 1.00 0.00 C ATOM 371 O TRP A 24 -8.058 -6.583 12.891 1.00 0.00 O ATOM 372 CB TRP A 24 -9.402 -5.209 10.385 1.00 0.00 C ATOM 373 CG TRP A 24 -10.182 -5.086 9.114 1.00 0.00 C ATOM 374 CD1 TRP A 24 -11.521 -5.209 9.021 1.00 0.00 C ATOM 375 CD2 TRP A 24 -9.722 -4.755 7.764 1.00 0.00 C ATOM 376 NE1 TRP A 24 -11.924 -5.010 7.719 1.00 0.00 N ATOM 377 CE2 TRP A 24 -10.857 -4.708 6.899 1.00 0.00 C ATOM 378 CE3 TRP A 24 -8.467 -4.466 7.183 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -10.755 -4.393 5.536 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -8.353 -4.137 5.818 1.00 0.00 C ATOM 381 CH2 TRP A 24 -9.492 -4.098 4.995 1.00 0.00 C ATOM 0 H TRP A 24 -10.180 -7.575 10.808 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.770 -6.462 9.673 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.109 -5.243 11.214 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -8.811 -4.302 10.508 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.181 -5.431 9.846 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.891 -5.078 7.401 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.579 -4.498 7.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.635 -4.377 4.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.383 -3.913 5.400 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.397 -3.842 3.950 1.00 0.00 H new ATOM 392 N ALA A 25 -6.474 -5.568 11.643 1.00 0.00 N ATOM 393 CA ALA A 25 -5.622 -5.097 12.736 1.00 0.00 C ATOM 394 C ALA A 25 -5.066 -3.684 12.454 1.00 0.00 C ATOM 395 O ALA A 25 -4.655 -3.402 11.333 1.00 0.00 O ATOM 396 CB ALA A 25 -4.497 -6.118 12.928 1.00 0.00 C ATOM 0 H ALA A 25 -6.099 -5.333 10.724 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.206 -5.013 13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.845 -5.792 13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.925 -7.089 13.175 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.919 -6.200 12.007 1.00 0.00 H new ATOM 402 N LEU A 26 -5.035 -2.804 13.460 1.00 0.00 N ATOM 403 CA LEU A 26 -4.489 -1.439 13.410 1.00 0.00 C ATOM 404 C LEU A 26 -3.109 -1.425 14.081 1.00 0.00 C ATOM 405 O LEU A 26 -3.005 -1.752 15.262 1.00 0.00 O ATOM 406 CB LEU A 26 -5.489 -0.516 14.152 1.00 0.00 C ATOM 407 CG LEU A 26 -5.364 1.015 13.978 1.00 0.00 C ATOM 408 CD1 LEU A 26 -3.980 1.607 14.262 1.00 0.00 C ATOM 409 CD2 LEU A 26 -5.804 1.444 12.572 1.00 0.00 C ATOM 0 H LEU A 26 -5.409 -3.034 14.381 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.363 -1.090 12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.494 -0.802 13.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.411 -0.734 15.217 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.028 1.417 14.744 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.007 2.686 14.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.698 1.394 15.293 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.249 1.163 13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.707 2.525 12.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.175 0.955 11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.843 1.157 12.413 1.00 0.00 H new ATOM 421 N TYR A 27 -2.057 -1.029 13.363 1.00 0.00 N ATOM 422 CA TYR A 27 -0.693 -0.883 13.902 1.00 0.00 C ATOM 423 C TYR A 27 -0.581 0.355 14.816 1.00 0.00 C ATOM 424 O TYR A 27 -0.671 1.489 14.348 1.00 0.00 O ATOM 425 CB TYR A 27 0.260 -0.845 12.695 1.00 0.00 C ATOM 426 CG TYR A 27 1.738 -1.127 12.923 1.00 0.00 C ATOM 427 CD1 TYR A 27 2.541 -0.252 13.682 1.00 0.00 C ATOM 428 CD2 TYR A 27 2.345 -2.216 12.266 1.00 0.00 C ATOM 429 CE1 TYR A 27 3.939 -0.417 13.722 1.00 0.00 C ATOM 430 CE2 TYR A 27 3.737 -2.415 12.340 1.00 0.00 C ATOM 431 CZ TYR A 27 4.544 -1.502 13.049 1.00 0.00 C ATOM 432 OH TYR A 27 5.895 -1.669 13.073 1.00 0.00 O ATOM 0 H TYR A 27 -2.124 -0.795 12.372 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.424 -1.721 14.545 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.105 -1.565 11.963 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.178 0.142 12.240 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.080 0.552 14.237 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.736 -2.905 11.700 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.550 0.287 14.268 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.187 -3.268 11.853 1.00 0.00 H new ATOM 0 HH TYR A 27 6.135 -2.468 12.558 1.00 0.00 H new ATOM 442 N ILE A 28 -0.392 0.150 16.126 1.00 0.00 N ATOM 443 CA ILE A 28 -0.380 1.232 17.146 1.00 0.00 C ATOM 444 C ILE A 28 1.010 1.621 17.668 1.00 0.00 C ATOM 445 O ILE A 28 1.172 2.713 18.214 1.00 0.00 O ATOM 446 CB ILE A 28 -1.297 0.885 18.342 1.00 0.00 C ATOM 447 CG1 ILE A 28 -0.974 -0.486 18.985 1.00 0.00 C ATOM 448 CG2 ILE A 28 -2.773 0.985 17.921 1.00 0.00 C ATOM 449 CD1 ILE A 28 -1.410 -0.573 20.453 1.00 0.00 C ATOM 0 H ILE A 28 -0.241 -0.778 16.522 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.760 2.103 16.613 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.102 1.621 19.122 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.469 -1.274 18.417 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.098 -0.670 18.918 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.411 0.739 18.770 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.988 2.000 17.588 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.967 0.287 17.107 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.158 -1.556 20.850 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.896 0.195 21.031 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.487 -0.419 20.522 1.00 0.00 H new ATOM 461 N GLY A 29 2.000 0.742 17.527 1.00 0.00 N ATOM 462 CA GLY A 29 3.377 0.938 17.993 1.00 0.00 C ATOM 463 C GLY A 29 4.285 -0.083 17.329 1.00 0.00 C ATOM 464 O GLY A 29 3.788 -0.969 16.642 1.00 0.00 O ATOM 0 H GLY A 29 1.864 -0.159 17.069 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.712 1.948 17.756 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.424 0.832 19.077 1.00 0.00 H new ATOM 468 N ASP A 30 5.599 0.027 17.504 1.00 0.00 N ATOM 469 CA ASP A 30 6.567 -0.800 16.772 1.00 0.00 C ATOM 470 C ASP A 30 6.366 -2.309 17.037 1.00 0.00 C ATOM 471 O ASP A 30 6.748 -2.837 18.086 1.00 0.00 O ATOM 472 CB ASP A 30 7.994 -0.340 17.101 1.00 0.00 C ATOM 473 CG ASP A 30 9.047 -1.118 16.293 1.00 0.00 C ATOM 474 OD1 ASP A 30 8.937 -1.154 15.045 1.00 0.00 O ATOM 475 OD2 ASP A 30 9.989 -1.675 16.905 1.00 0.00 O ATOM 0 H ASP A 30 6.026 0.688 18.153 1.00 0.00 H new ATOM 0 HA ASP A 30 6.397 -0.663 15.704 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.090 0.725 16.891 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.182 -0.473 18.166 1.00 0.00 H new ATOM 480 N GLY A 31 5.727 -2.988 16.075 1.00 0.00 N ATOM 481 CA GLY A 31 5.331 -4.399 16.142 1.00 0.00 C ATOM 482 C GLY A 31 4.050 -4.688 16.934 1.00 0.00 C ATOM 483 O GLY A 31 3.632 -5.842 16.972 1.00 0.00 O ATOM 0 H GLY A 31 5.461 -2.550 15.193 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.201 -4.770 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.148 -4.967 16.587 1.00 0.00 H new ATOM 487 N TYR A 32 3.406 -3.686 17.535 1.00 0.00 N ATOM 488 CA TYR A 32 2.148 -3.822 18.287 1.00 0.00 C ATOM 489 C TYR A 32 0.912 -3.436 17.457 1.00 0.00 C ATOM 490 O TYR A 32 0.895 -2.412 16.771 1.00 0.00 O ATOM 491 CB TYR A 32 2.203 -2.974 19.566 1.00 0.00 C ATOM 492 CG TYR A 32 2.896 -3.657 20.725 1.00 0.00 C ATOM 493 CD1 TYR A 32 2.230 -4.683 21.423 1.00 0.00 C ATOM 494 CD2 TYR A 32 4.184 -3.254 21.129 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.836 -5.294 22.538 1.00 0.00 C ATOM 496 CE2 TYR A 32 4.799 -3.868 22.238 1.00 0.00 C ATOM 497 CZ TYR A 32 4.125 -4.886 22.949 1.00 0.00 C ATOM 498 OH TYR A 32 4.711 -5.456 24.037 1.00 0.00 O ATOM 0 H TYR A 32 3.752 -2.727 17.514 1.00 0.00 H new ATOM 0 HA TYR A 32 2.046 -4.877 18.543 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.718 -2.038 19.348 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.186 -2.717 19.864 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.250 -5.003 21.102 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.700 -2.474 20.589 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.317 -6.072 23.077 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.787 -3.560 22.545 1.00 0.00 H new ATOM 0 HH TYR A 32 5.596 -5.059 24.178 1.00 0.00 H new ATOM 508 N VAL A 33 -0.157 -4.226 17.578 1.00 0.00 N ATOM 509 CA VAL A 33 -1.420 -4.046 16.848 1.00 0.00 C ATOM 510 C VAL A 33 -2.646 -4.200 17.754 1.00 0.00 C ATOM 511 O VAL A 33 -2.612 -4.906 18.759 1.00 0.00 O ATOM 512 CB VAL A 33 -1.560 -5.035 15.663 1.00 0.00 C ATOM 513 CG1 VAL A 33 -0.545 -4.773 14.543 1.00 0.00 C ATOM 514 CG2 VAL A 33 -1.451 -6.513 16.069 1.00 0.00 C ATOM 0 H VAL A 33 -0.171 -5.032 18.203 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.383 -3.026 16.465 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.569 -4.847 15.297 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.693 -5.497 13.742 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.686 -3.765 14.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.466 -4.870 14.938 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.559 -7.142 15.185 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.478 -6.694 16.526 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.238 -6.753 16.784 1.00 0.00 H new ATOM 524 N ILE A 34 -3.742 -3.551 17.368 1.00 0.00 N ATOM 525 CA ILE A 34 -5.080 -3.736 17.946 1.00 0.00 C ATOM 526 C ILE A 34 -5.915 -4.469 16.904 1.00 0.00 C ATOM 527 O ILE A 34 -5.995 -4.007 15.773 1.00 0.00 O ATOM 528 CB ILE A 34 -5.718 -2.371 18.282 1.00 0.00 C ATOM 529 CG1 ILE A 34 -4.870 -1.573 19.291 1.00 0.00 C ATOM 530 CG2 ILE A 34 -7.169 -2.533 18.783 1.00 0.00 C ATOM 531 CD1 ILE A 34 -4.537 -2.311 20.589 1.00 0.00 C ATOM 0 H ILE A 34 -3.728 -2.858 16.620 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.025 -4.306 18.873 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.747 -1.798 17.355 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.937 -1.282 18.808 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.400 -0.654 19.540 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.587 -1.552 19.010 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.769 -3.013 18.010 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.177 -3.148 19.683 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.938 -1.665 21.231 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.460 -2.578 21.103 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.975 -3.216 20.359 1.00 0.00 H new ATOM 543 N HIS A 35 -6.542 -5.586 17.244 1.00 0.00 N ATOM 544 CA HIS A 35 -7.371 -6.338 16.301 1.00 0.00 C ATOM 545 C HIS A 35 -8.683 -6.787 16.948 1.00 0.00 C ATOM 546 O HIS A 35 -8.783 -6.886 18.172 1.00 0.00 O ATOM 547 CB HIS A 35 -6.570 -7.540 15.767 1.00 0.00 C ATOM 548 CG HIS A 35 -6.411 -8.677 16.742 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.214 -9.793 16.829 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.461 -8.784 17.722 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.757 -10.551 17.842 1.00 0.00 C ATOM 552 NE2 HIS A 35 -5.676 -9.987 18.411 1.00 0.00 N ATOM 0 H HIS A 35 -6.494 -5.999 18.176 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.636 -5.689 15.466 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.061 -7.916 14.869 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.580 -7.195 15.468 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.013 -10.007 16.232 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.681 -8.066 17.929 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.198 -11.486 18.156 1.00 0.00 H new ATOM 560 N LEU A 36 -9.683 -7.108 16.122 1.00 0.00 N ATOM 561 CA LEU A 36 -10.905 -7.755 16.590 1.00 0.00 C ATOM 562 C LEU A 36 -10.675 -9.272 16.636 1.00 0.00 C ATOM 563 O LEU A 36 -10.078 -9.837 15.718 1.00 0.00 O ATOM 564 CB LEU A 36 -12.054 -7.342 15.645 1.00 0.00 C ATOM 565 CG LEU A 36 -13.463 -7.719 16.137 1.00 0.00 C ATOM 566 CD1 LEU A 36 -13.895 -6.865 17.340 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.492 -7.526 15.014 1.00 0.00 C ATOM 0 H LEU A 36 -9.666 -6.927 15.118 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.176 -7.445 17.599 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.013 -6.263 15.497 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.889 -7.804 14.672 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.422 -8.765 16.440 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.895 -7.162 17.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.195 -7.014 18.162 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.902 -5.813 17.055 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.483 -7.797 15.378 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.494 -6.483 14.698 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.230 -8.161 14.168 1.00 0.00 H new ATOM 579 N ALA A 37 -11.137 -9.941 17.686 1.00 0.00 N ATOM 580 CA ALA A 37 -11.209 -11.397 17.791 1.00 0.00 C ATOM 581 C ALA A 37 -12.670 -11.815 17.508 1.00 0.00 C ATOM 582 O ALA A 37 -13.566 -11.272 18.166 1.00 0.00 O ATOM 583 CB ALA A 37 -10.749 -11.806 19.199 1.00 0.00 C ATOM 0 H ALA A 37 -11.485 -9.468 18.520 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.560 -11.897 17.072 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.796 -12.891 19.296 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.724 -11.471 19.358 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.400 -11.346 19.942 1.00 0.00 H new ATOM 589 N PRO A 38 -12.941 -12.700 16.525 1.00 0.00 N ATOM 590 CA PRO A 38 -14.303 -13.018 16.085 1.00 0.00 C ATOM 591 C PRO A 38 -15.052 -13.900 17.107 1.00 0.00 C ATOM 592 O PRO A 38 -14.418 -14.463 18.004 1.00 0.00 O ATOM 593 CB PRO A 38 -14.135 -13.714 14.728 1.00 0.00 C ATOM 594 CG PRO A 38 -12.769 -14.387 14.841 1.00 0.00 C ATOM 595 CD PRO A 38 -11.970 -13.406 15.695 1.00 0.00 C ATOM 0 HA PRO A 38 -14.917 -12.121 15.999 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.927 -14.441 14.549 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.164 -13.001 13.904 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.840 -15.367 15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.311 -14.536 13.863 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.241 -13.932 16.312 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.414 -12.709 15.069 1.00 0.00 H new ATOM 603 N PRO A 39 -16.387 -14.060 16.968 1.00 0.00 N ATOM 604 CA PRO A 39 -17.168 -15.004 17.765 1.00 0.00 C ATOM 605 C PRO A 39 -16.726 -16.447 17.482 1.00 0.00 C ATOM 606 O PRO A 39 -16.305 -16.776 16.372 1.00 0.00 O ATOM 607 CB PRO A 39 -18.642 -14.788 17.402 1.00 0.00 C ATOM 608 CG PRO A 39 -18.657 -13.510 16.549 1.00 0.00 C ATOM 609 CD PRO A 39 -17.249 -13.440 15.970 1.00 0.00 C ATOM 0 HA PRO A 39 -17.015 -14.835 18.831 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -19.041 -15.638 16.848 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -19.256 -14.674 18.295 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -19.410 -13.563 15.763 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.886 -12.630 17.151 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.189 -13.967 15.018 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.953 -12.408 15.782 1.00 0.00 H new ATOM 617 N SER A 40 -16.830 -17.323 18.482 1.00 0.00 N ATOM 618 CA SER A 40 -16.339 -18.705 18.386 1.00 0.00 C ATOM 619 C SER A 40 -17.430 -19.642 17.844 1.00 0.00 C ATOM 620 O SER A 40 -18.052 -20.401 18.591 1.00 0.00 O ATOM 621 CB SER A 40 -15.772 -19.200 19.730 1.00 0.00 C ATOM 622 OG SER A 40 -14.794 -18.322 20.280 1.00 0.00 O ATOM 0 H SER A 40 -17.256 -17.099 19.381 1.00 0.00 H new ATOM 0 HA SER A 40 -15.515 -18.716 17.673 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.589 -19.316 20.442 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.329 -20.186 19.590 1.00 0.00 H new ATOM 0 HG SER A 40 -14.471 -18.684 21.131 1.00 0.00 H new ATOM 628 N GLU A 41 -17.659 -19.609 16.527 1.00 0.00 N ATOM 629 CA GLU A 41 -18.548 -20.531 15.807 1.00 0.00 C ATOM 630 C GLU A 41 -17.857 -21.894 15.592 1.00 0.00 C ATOM 631 O GLU A 41 -17.609 -22.339 14.469 1.00 0.00 O ATOM 632 CB GLU A 41 -19.038 -19.891 14.496 1.00 0.00 C ATOM 633 CG GLU A 41 -19.870 -18.623 14.737 1.00 0.00 C ATOM 634 CD GLU A 41 -20.466 -18.102 13.423 1.00 0.00 C ATOM 635 OE1 GLU A 41 -19.741 -17.448 12.635 1.00 0.00 O ATOM 636 OE2 GLU A 41 -21.671 -18.339 13.168 1.00 0.00 O ATOM 0 H GLU A 41 -17.220 -18.922 15.914 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.434 -20.724 16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.179 -19.645 13.872 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.637 -20.615 13.943 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.671 -18.838 15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.244 -17.853 15.188 1.00 0.00 H new ATOM 643 N TYR A 42 -17.503 -22.553 16.700 1.00 0.00 N ATOM 644 CA TYR A 42 -16.809 -23.845 16.737 1.00 0.00 C ATOM 645 C TYR A 42 -17.526 -25.025 16.034 1.00 0.00 C ATOM 646 O TYR A 42 -16.858 -25.736 15.272 1.00 0.00 O ATOM 647 CB TYR A 42 -16.445 -24.161 18.198 1.00 0.00 C ATOM 648 CG TYR A 42 -15.711 -25.473 18.401 1.00 0.00 C ATOM 649 CD1 TYR A 42 -14.331 -25.556 18.129 1.00 0.00 C ATOM 650 CD2 TYR A 42 -16.411 -26.611 18.850 1.00 0.00 C ATOM 651 CE1 TYR A 42 -13.649 -26.776 18.301 1.00 0.00 C ATOM 652 CE2 TYR A 42 -15.735 -27.835 19.025 1.00 0.00 C ATOM 653 CZ TYR A 42 -14.349 -27.922 18.747 1.00 0.00 C ATOM 654 OH TYR A 42 -13.686 -29.099 18.911 1.00 0.00 O ATOM 0 H TYR A 42 -17.699 -22.187 17.632 1.00 0.00 H new ATOM 0 HA TYR A 42 -15.910 -23.734 16.131 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.828 -23.351 18.587 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -17.360 -24.177 18.790 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.795 -24.682 17.788 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -17.468 -26.545 19.060 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.591 -26.837 18.092 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -16.273 -28.705 19.371 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.311 -29.786 19.223 1.00 0.00 H new ATOM 664 N PRO A 43 -18.836 -25.276 16.256 1.00 0.00 N ATOM 665 CA PRO A 43 -19.560 -26.377 15.624 1.00 0.00 C ATOM 666 C PRO A 43 -19.902 -26.069 14.159 1.00 0.00 C ATOM 667 O PRO A 43 -19.889 -24.916 13.727 1.00 0.00 O ATOM 668 CB PRO A 43 -20.819 -26.575 16.479 1.00 0.00 C ATOM 669 CG PRO A 43 -21.106 -25.166 16.993 1.00 0.00 C ATOM 670 CD PRO A 43 -19.710 -24.578 17.188 1.00 0.00 C ATOM 0 HA PRO A 43 -18.958 -27.285 15.585 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -21.649 -26.968 15.892 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.647 -27.276 17.296 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -21.691 -24.587 16.278 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -21.670 -25.184 17.926 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -19.709 -23.506 16.992 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.371 -24.715 18.215 1.00 0.00 H new ATOM 678 N GLY A 44 -20.262 -27.115 13.402 1.00 0.00 N ATOM 679 CA GLY A 44 -20.642 -27.039 11.983 1.00 0.00 C ATOM 680 C GLY A 44 -22.077 -26.554 11.769 1.00 0.00 C ATOM 681 O GLY A 44 -22.841 -27.184 11.037 1.00 0.00 O ATOM 0 H GLY A 44 -20.298 -28.065 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -19.957 -26.367 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -20.526 -28.023 11.529 1.00 0.00 H new ATOM 685 N ALA A 45 -22.452 -25.462 12.441 1.00 0.00 N ATOM 686 CA ALA A 45 -23.797 -24.887 12.484 1.00 0.00 C ATOM 687 C ALA A 45 -24.253 -24.231 11.162 1.00 0.00 C ATOM 688 O ALA A 45 -23.435 -23.854 10.315 1.00 0.00 O ATOM 689 CB ALA A 45 -23.839 -23.894 13.655 1.00 0.00 C ATOM 0 H ALA A 45 -21.788 -24.927 13.000 1.00 0.00 H new ATOM 0 HA ALA A 45 -24.510 -25.698 12.631 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -24.831 -23.445 13.716 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -23.620 -24.419 14.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -23.096 -23.112 13.496 1.00 0.00 H new ATOM 695 N GLY A 46 -25.576 -24.076 11.017 1.00 0.00 N ATOM 696 CA GLY A 46 -26.249 -23.495 9.845 1.00 0.00 C ATOM 697 C GLY A 46 -27.544 -24.238 9.518 1.00 0.00 C ATOM 698 O GLY A 46 -28.362 -24.481 10.404 1.00 0.00 O ATOM 0 H GLY A 46 -26.234 -24.363 11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -26.469 -22.444 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -25.580 -23.531 8.985 1.00 0.00 H new ATOM 702 N SER A 47 -27.727 -24.616 8.251 1.00 0.00 N ATOM 703 CA SER A 47 -28.854 -25.450 7.781 1.00 0.00 C ATOM 704 C SER A 47 -28.717 -26.942 8.172 1.00 0.00 C ATOM 705 O SER A 47 -29.588 -27.760 7.871 1.00 0.00 O ATOM 706 CB SER A 47 -28.992 -25.326 6.254 1.00 0.00 C ATOM 707 OG SER A 47 -29.130 -23.971 5.840 1.00 0.00 O ATOM 0 H SER A 47 -27.088 -24.350 7.502 1.00 0.00 H new ATOM 0 HA SER A 47 -29.749 -25.075 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.117 -25.765 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.858 -25.897 5.921 1.00 0.00 H new ATOM 0 HG SER A 47 -29.213 -23.934 4.864 1.00 0.00 H new ATOM 713 N SER A 48 -27.619 -27.311 8.831 1.00 0.00 N ATOM 714 CA SER A 48 -27.313 -28.639 9.378 1.00 0.00 C ATOM 715 C SER A 48 -28.111 -28.971 10.662 1.00 0.00 C ATOM 716 O SER A 48 -28.776 -28.124 11.264 1.00 0.00 O ATOM 717 CB SER A 48 -25.802 -28.675 9.674 1.00 0.00 C ATOM 718 OG SER A 48 -25.440 -27.591 10.525 1.00 0.00 O ATOM 0 H SER A 48 -26.866 -26.647 9.011 1.00 0.00 H new ATOM 0 HA SER A 48 -27.603 -29.392 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.539 -29.621 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 48 -25.240 -28.618 8.742 1.00 0.00 H new ATOM 0 HG SER A 48 -24.463 -27.524 10.573 1.00 0.00 H new ATOM 724 N SER A 49 -27.993 -30.208 11.159 1.00 0.00 N ATOM 725 CA SER A 49 -28.668 -30.722 12.373 1.00 0.00 C ATOM 726 C SER A 49 -28.097 -30.154 13.700 1.00 0.00 C ATOM 727 O SER A 49 -28.033 -30.848 14.717 1.00 0.00 O ATOM 728 CB SER A 49 -28.619 -32.265 12.364 1.00 0.00 C ATOM 729 OG SER A 49 -29.099 -32.805 11.137 1.00 0.00 O ATOM 0 H SER A 49 -27.403 -30.912 10.715 1.00 0.00 H new ATOM 0 HA SER A 49 -29.701 -30.376 12.338 1.00 0.00 H new ATOM 0 HB2 SER A 49 -27.594 -32.596 12.530 1.00 0.00 H new ATOM 0 HB3 SER A 49 -29.217 -32.652 13.189 1.00 0.00 H new ATOM 0 HG SER A 49 -29.051 -33.783 11.169 1.00 0.00 H new ATOM 735 N VAL A 50 -27.647 -28.895 13.689 1.00 0.00 N ATOM 736 CA VAL A 50 -26.947 -28.196 14.780 1.00 0.00 C ATOM 737 C VAL A 50 -26.937 -26.684 14.517 1.00 0.00 C ATOM 738 O VAL A 50 -26.816 -26.249 13.373 1.00 0.00 O ATOM 739 CB VAL A 50 -25.523 -28.773 15.023 1.00 0.00 C ATOM 740 CG1 VAL A 50 -24.624 -28.746 13.776 1.00 0.00 C ATOM 741 CG2 VAL A 50 -24.800 -28.061 16.180 1.00 0.00 C ATOM 0 H VAL A 50 -27.767 -28.298 12.871 1.00 0.00 H new ATOM 0 HA VAL A 50 -27.495 -28.367 15.707 1.00 0.00 H new ATOM 0 HB VAL A 50 -25.694 -29.817 15.287 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -23.648 -29.164 14.022 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -25.083 -29.338 12.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -24.503 -27.717 13.437 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -23.810 -28.497 16.313 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -24.702 -27.000 15.950 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -25.376 -28.181 17.098 1.00 0.00 H new ATOM 751 N PHE A 51 -27.084 -25.888 15.586 1.00 0.00 N ATOM 752 CA PHE A 51 -27.266 -24.430 15.534 1.00 0.00 C ATOM 753 C PHE A 51 -26.567 -23.677 16.691 1.00 0.00 C ATOM 754 O PHE A 51 -26.867 -22.513 16.956 1.00 0.00 O ATOM 755 CB PHE A 51 -28.780 -24.141 15.463 1.00 0.00 C ATOM 756 CG PHE A 51 -29.597 -24.676 16.628 1.00 0.00 C ATOM 757 CD1 PHE A 51 -30.146 -25.973 16.571 1.00 0.00 C ATOM 758 CD2 PHE A 51 -29.816 -23.880 17.769 1.00 0.00 C ATOM 759 CE1 PHE A 51 -30.891 -26.476 17.651 1.00 0.00 C ATOM 760 CE2 PHE A 51 -30.562 -24.382 18.852 1.00 0.00 C ATOM 761 CZ PHE A 51 -31.098 -25.682 18.794 1.00 0.00 C ATOM 0 H PHE A 51 -27.079 -26.252 16.539 1.00 0.00 H new ATOM 0 HA PHE A 51 -26.774 -24.045 14.641 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -28.925 -23.062 15.403 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -29.172 -24.567 14.539 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -29.993 -26.583 15.693 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -29.410 -22.880 17.813 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -31.305 -27.472 17.604 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -30.723 -23.770 19.727 1.00 0.00 H new ATOM 0 HZ PHE A 51 -31.667 -26.070 19.626 1.00 0.00 H new ATOM 771 N SER A 52 -25.650 -24.338 17.409 1.00 0.00 N ATOM 772 CA SER A 52 -24.972 -23.780 18.593 1.00 0.00 C ATOM 773 C SER A 52 -23.748 -22.892 18.247 1.00 0.00 C ATOM 774 O SER A 52 -23.476 -22.591 17.082 1.00 0.00 O ATOM 775 CB SER A 52 -24.611 -24.938 19.547 1.00 0.00 C ATOM 776 OG SER A 52 -24.225 -24.456 20.830 1.00 0.00 O ATOM 0 H SER A 52 -25.352 -25.287 17.184 1.00 0.00 H new ATOM 0 HA SER A 52 -25.661 -23.099 19.092 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.466 -25.606 19.650 1.00 0.00 H new ATOM 0 HB3 SER A 52 -23.799 -25.524 19.118 1.00 0.00 H new ATOM 0 HG SER A 52 -24.004 -25.214 21.411 1.00 0.00 H new ATOM 782 N VAL A 53 -23.001 -22.473 19.274 1.00 0.00 N ATOM 783 CA VAL A 53 -21.876 -21.515 19.247 1.00 0.00 C ATOM 784 C VAL A 53 -21.135 -21.562 20.593 1.00 0.00 C ATOM 785 O VAL A 53 -21.768 -21.683 21.641 1.00 0.00 O ATOM 786 CB VAL A 53 -22.355 -20.082 18.882 1.00 0.00 C ATOM 787 CG1 VAL A 53 -23.371 -19.500 19.880 1.00 0.00 C ATOM 788 CG2 VAL A 53 -21.189 -19.094 18.725 1.00 0.00 C ATOM 0 H VAL A 53 -23.175 -22.816 20.219 1.00 0.00 H new ATOM 0 HA VAL A 53 -21.177 -21.804 18.462 1.00 0.00 H new ATOM 0 HB VAL A 53 -22.855 -20.204 17.921 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -23.661 -18.498 19.562 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.253 -20.139 19.915 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -22.920 -19.450 20.871 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.579 -18.109 18.470 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.635 -19.034 19.661 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -20.525 -19.438 17.932 1.00 0.00 H new ATOM 798 N LEU A 54 -19.797 -21.505 20.567 1.00 0.00 N ATOM 799 CA LEU A 54 -18.943 -21.655 21.756 1.00 0.00 C ATOM 800 C LEU A 54 -18.724 -20.320 22.491 1.00 0.00 C ATOM 801 O LEU A 54 -18.581 -20.311 23.713 1.00 0.00 O ATOM 802 CB LEU A 54 -17.641 -22.357 21.307 1.00 0.00 C ATOM 803 CG LEU A 54 -16.642 -22.707 22.434 1.00 0.00 C ATOM 804 CD1 LEU A 54 -15.885 -23.997 22.079 1.00 0.00 C ATOM 805 CD2 LEU A 54 -15.606 -21.594 22.659 1.00 0.00 C ATOM 0 H LEU A 54 -19.269 -21.351 19.708 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.431 -22.277 22.506 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.908 -23.276 20.785 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -17.135 -21.716 20.585 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.225 -22.832 23.346 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.183 -24.238 22.877 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.596 -24.815 21.961 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.339 -23.854 21.146 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.927 -21.886 23.460 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.039 -21.434 21.742 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.117 -20.672 22.935 1.00 0.00 H new ATOM 817 N SER A 55 -18.762 -19.188 21.782 1.00 0.00 N ATOM 818 CA SER A 55 -18.675 -17.846 22.382 1.00 0.00 C ATOM 819 C SER A 55 -19.383 -16.786 21.531 1.00 0.00 C ATOM 820 O SER A 55 -19.099 -16.640 20.340 1.00 0.00 O ATOM 821 CB SER A 55 -17.211 -17.448 22.635 1.00 0.00 C ATOM 822 OG SER A 55 -17.138 -16.327 23.505 1.00 0.00 O ATOM 0 H SER A 55 -18.855 -19.173 20.766 1.00 0.00 H new ATOM 0 HA SER A 55 -19.192 -17.893 23.340 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.671 -18.288 23.071 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.724 -17.212 21.689 1.00 0.00 H new ATOM 0 HG SER A 55 -16.199 -16.090 23.655 1.00 0.00 H new ATOM 828 N ASN A 56 -20.318 -16.057 22.152 1.00 0.00 N ATOM 829 CA ASN A 56 -21.151 -15.040 21.516 1.00 0.00 C ATOM 830 C ASN A 56 -20.433 -13.675 21.423 1.00 0.00 C ATOM 831 O ASN A 56 -19.834 -13.208 22.394 1.00 0.00 O ATOM 832 CB ASN A 56 -22.469 -14.892 22.299 1.00 0.00 C ATOM 833 CG ASN A 56 -23.291 -16.179 22.337 1.00 0.00 C ATOM 834 OD1 ASN A 56 -23.161 -16.997 23.240 1.00 0.00 O ATOM 835 ND2 ASN A 56 -24.154 -16.404 21.360 1.00 0.00 N ATOM 0 H ASN A 56 -20.519 -16.166 23.146 1.00 0.00 H new ATOM 0 HA ASN A 56 -21.358 -15.367 20.497 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -22.245 -14.580 23.319 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -23.066 -14.100 21.847 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -24.711 -17.258 21.358 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -24.262 -15.723 20.608 1.00 0.00 H new ATOM 842 N SER A 57 -20.553 -13.033 20.254 1.00 0.00 N ATOM 843 CA SER A 57 -20.031 -11.686 19.926 1.00 0.00 C ATOM 844 C SER A 57 -18.494 -11.650 19.736 1.00 0.00 C ATOM 845 O SER A 57 -17.757 -12.517 20.215 1.00 0.00 O ATOM 846 CB SER A 57 -20.461 -10.602 20.937 1.00 0.00 C ATOM 847 OG SER A 57 -21.854 -10.666 21.211 1.00 0.00 O ATOM 0 H SER A 57 -21.042 -13.456 19.465 1.00 0.00 H new ATOM 0 HA SER A 57 -20.491 -11.452 18.966 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.901 -10.726 21.864 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.212 -9.617 20.543 1.00 0.00 H new ATOM 0 HG SER A 57 -22.093 -9.968 21.856 1.00 0.00 H new ATOM 853 N ALA A 58 -18.003 -10.627 19.027 1.00 0.00 N ATOM 854 CA ALA A 58 -16.575 -10.361 18.847 1.00 0.00 C ATOM 855 C ALA A 58 -16.037 -9.448 19.968 1.00 0.00 C ATOM 856 O ALA A 58 -16.818 -8.792 20.660 1.00 0.00 O ATOM 857 CB ALA A 58 -16.388 -9.731 17.462 1.00 0.00 C ATOM 0 H ALA A 58 -18.600 -9.949 18.554 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.005 -11.288 18.908 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.331 -9.521 17.298 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.744 -10.421 16.697 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.956 -8.802 17.405 1.00 0.00 H new ATOM 863 N GLU A 59 -14.713 -9.367 20.125 1.00 0.00 N ATOM 864 CA GLU A 59 -14.048 -8.590 21.184 1.00 0.00 C ATOM 865 C GLU A 59 -12.731 -7.975 20.688 1.00 0.00 C ATOM 866 O GLU A 59 -11.979 -8.640 19.985 1.00 0.00 O ATOM 867 CB GLU A 59 -13.810 -9.503 22.398 1.00 0.00 C ATOM 868 CG GLU A 59 -13.286 -8.752 23.630 1.00 0.00 C ATOM 869 CD GLU A 59 -13.204 -9.693 24.842 1.00 0.00 C ATOM 870 OE1 GLU A 59 -14.271 -10.082 25.374 1.00 0.00 O ATOM 871 OE2 GLU A 59 -12.076 -10.053 25.256 1.00 0.00 O ATOM 0 H GLU A 59 -14.057 -9.848 19.509 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.693 -7.761 21.475 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.743 -10.003 22.656 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.097 -10.281 22.125 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.301 -8.337 23.418 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.943 -7.913 23.858 1.00 0.00 H new ATOM 878 N VAL A 60 -12.447 -6.718 21.035 1.00 0.00 N ATOM 879 CA VAL A 60 -11.239 -5.982 20.606 1.00 0.00 C ATOM 880 C VAL A 60 -10.069 -6.249 21.561 1.00 0.00 C ATOM 881 O VAL A 60 -10.204 -6.065 22.770 1.00 0.00 O ATOM 882 CB VAL A 60 -11.506 -4.465 20.524 1.00 0.00 C ATOM 883 CG1 VAL A 60 -10.253 -3.680 20.097 1.00 0.00 C ATOM 884 CG2 VAL A 60 -12.640 -4.152 19.534 1.00 0.00 C ATOM 0 H VAL A 60 -13.059 -6.165 21.635 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.976 -6.342 19.611 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.795 -4.153 21.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.488 -2.616 20.053 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.455 -3.846 20.821 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.927 -4.021 19.114 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.805 -3.075 19.498 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.366 -4.510 18.542 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.554 -4.648 19.859 1.00 0.00 H new ATOM 894 N LYS A 61 -8.917 -6.654 21.012 1.00 0.00 N ATOM 895 CA LYS A 61 -7.725 -7.117 21.743 1.00 0.00 C ATOM 896 C LYS A 61 -6.426 -6.408 21.286 1.00 0.00 C ATOM 897 O LYS A 61 -6.273 -6.067 20.109 1.00 0.00 O ATOM 898 CB LYS A 61 -7.561 -8.643 21.519 1.00 0.00 C ATOM 899 CG LYS A 61 -8.814 -9.521 21.683 1.00 0.00 C ATOM 900 CD LYS A 61 -9.466 -9.505 23.073 1.00 0.00 C ATOM 901 CE LYS A 61 -8.654 -10.286 24.118 1.00 0.00 C ATOM 902 NZ LYS A 61 -9.282 -10.197 25.464 1.00 0.00 N ATOM 0 H LYS A 61 -8.782 -6.670 20.001 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.877 -6.879 22.796 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.172 -8.796 20.512 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.802 -9.006 22.212 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.556 -9.202 20.951 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.548 -10.550 21.439 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.580 -8.473 23.405 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.467 -9.930 23.005 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.579 -11.331 23.817 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.638 -9.893 24.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.043 -11.046 26.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.928 -9.353 25.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.315 -10.130 25.361 1.00 0.00 H new ATOM 916 N ARG A 62 -5.462 -6.233 22.205 1.00 0.00 N ATOM 917 CA ARG A 62 -4.083 -5.787 21.909 1.00 0.00 C ATOM 918 C ARG A 62 -3.169 -7.015 21.764 1.00 0.00 C ATOM 919 O ARG A 62 -3.279 -7.958 22.547 1.00 0.00 O ATOM 920 CB ARG A 62 -3.578 -4.830 23.008 1.00 0.00 C ATOM 921 CG ARG A 62 -2.130 -4.358 22.756 1.00 0.00 C ATOM 922 CD ARG A 62 -1.682 -3.265 23.735 1.00 0.00 C ATOM 923 NE ARG A 62 -0.251 -2.954 23.549 1.00 0.00 N ATOM 924 CZ ARG A 62 0.429 -1.974 24.140 1.00 0.00 C ATOM 925 NH1 ARG A 62 -0.145 -1.123 24.964 1.00 0.00 N ATOM 926 NH2 ARG A 62 1.716 -1.839 23.904 1.00 0.00 N ATOM 0 H ARG A 62 -5.620 -6.401 23.199 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.071 -5.236 20.969 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.236 -3.963 23.061 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.631 -5.331 23.975 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.456 -5.210 22.837 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.048 -3.982 21.736 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.278 -2.365 23.581 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.858 -3.593 24.760 1.00 0.00 H new ATOM 0 HE ARG A 62 0.268 -3.549 22.904 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.141 -1.203 25.167 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.407 -0.384 25.400 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.189 -2.484 23.270 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.241 -1.090 24.354 1.00 0.00 H new ATOM 940 N GLU A 63 -2.263 -6.997 20.783 1.00 0.00 N ATOM 941 CA GLU A 63 -1.388 -8.128 20.432 1.00 0.00 C ATOM 942 C GLU A 63 -0.205 -7.656 19.565 1.00 0.00 C ATOM 943 O GLU A 63 -0.192 -6.516 19.093 1.00 0.00 O ATOM 944 CB GLU A 63 -2.247 -9.210 19.736 1.00 0.00 C ATOM 945 CG GLU A 63 -1.572 -10.561 19.486 1.00 0.00 C ATOM 946 CD GLU A 63 -0.900 -11.113 20.756 1.00 0.00 C ATOM 947 OE1 GLU A 63 -1.594 -11.734 21.596 1.00 0.00 O ATOM 948 OE2 GLU A 63 0.322 -10.892 20.928 1.00 0.00 O ATOM 0 H GLU A 63 -2.111 -6.178 20.194 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.946 -8.562 21.329 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.137 -9.380 20.341 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.584 -8.814 18.778 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.313 -11.276 19.128 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.826 -10.454 18.699 1.00 0.00 H new ATOM 955 N ARG A 64 0.795 -8.509 19.348 1.00 0.00 N ATOM 956 CA ARG A 64 1.921 -8.249 18.442 1.00 0.00 C ATOM 957 C ARG A 64 1.618 -8.745 17.022 1.00 0.00 C ATOM 958 O ARG A 64 1.044 -9.821 16.845 1.00 0.00 O ATOM 959 CB ARG A 64 3.200 -8.905 18.990 1.00 0.00 C ATOM 960 CG ARG A 64 3.605 -8.323 20.353 1.00 0.00 C ATOM 961 CD ARG A 64 4.918 -8.952 20.831 1.00 0.00 C ATOM 962 NE ARG A 64 5.297 -8.484 22.179 1.00 0.00 N ATOM 963 CZ ARG A 64 4.918 -9.010 23.342 1.00 0.00 C ATOM 964 NH1 ARG A 64 4.038 -9.987 23.418 1.00 0.00 N ATOM 965 NH2 ARG A 64 5.427 -8.549 24.464 1.00 0.00 N ATOM 0 H ARG A 64 0.849 -9.419 19.805 1.00 0.00 H new ATOM 0 HA ARG A 64 2.075 -7.171 18.386 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.044 -9.979 19.086 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.014 -8.763 18.279 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.719 -7.242 20.275 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.818 -8.509 21.084 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.818 -10.037 20.839 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.714 -8.710 20.126 1.00 0.00 H new ATOM 0 HE ARG A 64 5.914 -7.673 22.224 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.622 -10.366 22.567 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.772 -10.364 24.328 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.109 -7.791 24.441 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.139 -8.949 25.357 1.00 0.00 H new ATOM 979 N LEU A 65 2.041 -8.002 15.994 1.00 0.00 N ATOM 980 CA LEU A 65 1.770 -8.306 14.576 1.00 0.00 C ATOM 981 C LEU A 65 2.193 -9.736 14.217 1.00 0.00 C ATOM 982 O LEU A 65 1.385 -10.482 13.676 1.00 0.00 O ATOM 983 CB LEU A 65 2.478 -7.248 13.693 1.00 0.00 C ATOM 984 CG LEU A 65 2.294 -7.432 12.166 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.829 -7.304 11.723 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.131 -6.384 11.422 1.00 0.00 C ATOM 0 H LEU A 65 2.593 -7.154 16.122 1.00 0.00 H new ATOM 0 HA LEU A 65 0.697 -8.255 14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.109 -6.261 13.971 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.544 -7.265 13.919 1.00 0.00 H new ATOM 0 HG LEU A 65 2.624 -8.442 11.924 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.762 -7.442 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.230 -8.064 12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.454 -6.315 11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.003 -6.512 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.803 -5.385 11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.183 -6.509 11.679 1.00 0.00 H new ATOM 998 N GLU A 66 3.401 -10.146 14.612 1.00 0.00 N ATOM 999 CA GLU A 66 3.922 -11.499 14.367 1.00 0.00 C ATOM 1000 C GLU A 66 3.037 -12.619 14.951 1.00 0.00 C ATOM 1001 O GLU A 66 2.941 -13.686 14.345 1.00 0.00 O ATOM 1002 CB GLU A 66 5.375 -11.613 14.867 1.00 0.00 C ATOM 1003 CG GLU A 66 5.550 -11.464 16.387 1.00 0.00 C ATOM 1004 CD GLU A 66 7.034 -11.530 16.770 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.562 -12.649 16.977 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.684 -10.462 16.871 1.00 0.00 O ATOM 0 H GLU A 66 4.053 -9.545 15.116 1.00 0.00 H new ATOM 0 HA GLU A 66 3.904 -11.648 13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.773 -12.581 14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.976 -10.851 14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.126 -10.515 16.716 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.001 -12.253 16.901 1.00 0.00 H new ATOM 1013 N ASP A 67 2.337 -12.382 16.072 1.00 0.00 N ATOM 1014 CA ASP A 67 1.381 -13.342 16.639 1.00 0.00 C ATOM 1015 C ASP A 67 0.052 -13.308 15.874 1.00 0.00 C ATOM 1016 O ASP A 67 -0.483 -14.368 15.547 1.00 0.00 O ATOM 1017 CB ASP A 67 1.148 -13.050 18.127 1.00 0.00 C ATOM 1018 CG ASP A 67 0.145 -14.044 18.743 1.00 0.00 C ATOM 1019 OD1 ASP A 67 -1.085 -13.843 18.587 1.00 0.00 O ATOM 1020 OD2 ASP A 67 0.600 -15.038 19.362 1.00 0.00 O ATOM 0 H ASP A 67 2.419 -11.519 16.609 1.00 0.00 H new ATOM 0 HA ASP A 67 1.805 -14.341 16.541 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.095 -13.107 18.663 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.775 -12.033 18.246 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.455 -12.107 15.551 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.693 -11.953 14.760 1.00 0.00 C ATOM 1027 C VAL A 68 -1.554 -12.584 13.370 1.00 0.00 C ATOM 1028 O VAL A 68 -2.480 -13.236 12.891 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.224 -10.500 14.689 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.625 -10.438 14.053 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.362 -9.897 16.096 1.00 0.00 C ATOM 0 H VAL A 68 -0.026 -11.223 15.826 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.459 -12.505 15.305 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.504 -9.945 14.088 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.964 -9.403 14.020 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.583 -10.838 13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.321 -11.029 14.648 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.737 -8.876 16.019 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.059 -10.496 16.682 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.388 -9.890 16.586 1.00 0.00 H new ATOM 1041 N VAL A 69 -0.379 -12.449 12.758 1.00 0.00 N ATOM 1042 CA VAL A 69 -0.065 -13.003 11.437 1.00 0.00 C ATOM 1043 C VAL A 69 0.239 -14.506 11.512 1.00 0.00 C ATOM 1044 O VAL A 69 -0.307 -15.262 10.714 1.00 0.00 O ATOM 1045 CB VAL A 69 1.081 -12.198 10.793 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.559 -12.807 9.472 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.598 -10.758 10.541 1.00 0.00 C ATOM 0 H VAL A 69 0.401 -11.940 13.174 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.942 -12.908 10.796 1.00 0.00 H new ATOM 0 HB VAL A 69 1.925 -12.215 11.483 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.366 -12.200 9.063 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.920 -13.820 9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.731 -12.835 8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.401 -10.179 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.262 -10.775 9.872 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.312 -10.299 11.488 1.00 0.00 H new ATOM 1057 N GLY A 70 1.076 -14.964 12.455 1.00 0.00 N ATOM 1058 CA GLY A 70 1.318 -16.396 12.708 1.00 0.00 C ATOM 1059 C GLY A 70 1.980 -17.156 11.549 1.00 0.00 C ATOM 1060 O GLY A 70 1.886 -18.383 11.495 1.00 0.00 O ATOM 0 H GLY A 70 1.609 -14.348 13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.948 -16.492 13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.367 -16.875 12.940 1.00 0.00 H new ATOM 1064 N GLY A 71 2.606 -16.440 10.605 1.00 0.00 N ATOM 1065 CA GLY A 71 3.175 -16.978 9.357 1.00 0.00 C ATOM 1066 C GLY A 71 2.205 -17.009 8.165 1.00 0.00 C ATOM 1067 O GLY A 71 2.619 -17.392 7.069 1.00 0.00 O ATOM 0 H GLY A 71 2.736 -15.432 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.045 -16.380 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.531 -17.991 9.544 1.00 0.00 H new ATOM 1071 N CYS A 72 0.941 -16.611 8.351 1.00 0.00 N ATOM 1072 CA CYS A 72 -0.084 -16.529 7.300 1.00 0.00 C ATOM 1073 C CYS A 72 0.091 -15.299 6.377 1.00 0.00 C ATOM 1074 O CYS A 72 0.945 -14.437 6.601 1.00 0.00 O ATOM 1075 CB CYS A 72 -1.473 -16.519 7.970 1.00 0.00 C ATOM 1076 SG CYS A 72 -1.728 -17.991 9.006 1.00 0.00 S ATOM 0 H CYS A 72 0.591 -16.328 9.266 1.00 0.00 H new ATOM 0 HA CYS A 72 0.022 -17.400 6.654 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.577 -15.622 8.580 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.247 -16.474 7.204 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.808 -17.842 9.713 1.00 0.00 H new ATOM 1082 N CYS A 73 -0.763 -15.194 5.352 1.00 0.00 N ATOM 1083 CA CYS A 73 -0.843 -14.033 4.455 1.00 0.00 C ATOM 1084 C CYS A 73 -1.450 -12.795 5.145 1.00 0.00 C ATOM 1085 O CYS A 73 -2.330 -12.910 6.003 1.00 0.00 O ATOM 1086 CB CYS A 73 -1.652 -14.425 3.204 1.00 0.00 C ATOM 1087 SG CYS A 73 -0.823 -15.785 2.326 1.00 0.00 S ATOM 0 H CYS A 73 -1.431 -15.928 5.117 1.00 0.00 H new ATOM 0 HA CYS A 73 0.169 -13.750 4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.659 -14.728 3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.755 -13.564 2.543 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.515 -16.108 1.274 1.00 0.00 H new ATOM 1093 N TYR A 74 -1.030 -11.602 4.707 1.00 0.00 N ATOM 1094 CA TYR A 74 -1.593 -10.310 5.130 1.00 0.00 C ATOM 1095 C TYR A 74 -1.334 -9.173 4.120 1.00 0.00 C ATOM 1096 O TYR A 74 -0.351 -9.206 3.376 1.00 0.00 O ATOM 1097 CB TYR A 74 -1.100 -9.929 6.536 1.00 0.00 C ATOM 1098 CG TYR A 74 0.368 -9.559 6.648 1.00 0.00 C ATOM 1099 CD1 TYR A 74 1.348 -10.565 6.736 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.746 -8.204 6.702 1.00 0.00 C ATOM 1101 CE1 TYR A 74 2.702 -10.220 6.887 1.00 0.00 C ATOM 1102 CE2 TYR A 74 2.100 -7.850 6.861 1.00 0.00 C ATOM 1103 CZ TYR A 74 3.085 -8.862 6.954 1.00 0.00 C ATOM 1104 OH TYR A 74 4.399 -8.536 7.110 1.00 0.00 O ATOM 0 H TYR A 74 -0.271 -11.504 4.032 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.674 -10.442 5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.695 -9.088 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.296 -10.765 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.059 -11.604 6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.005 -7.433 6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.451 -10.995 6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.386 -6.810 6.912 1.00 0.00 H new ATOM 0 HH TYR A 74 4.493 -7.561 7.136 1.00 0.00 H new ATOM 1114 N ARG A 75 -2.225 -8.176 4.091 1.00 0.00 N ATOM 1115 CA ARG A 75 -2.224 -7.027 3.164 1.00 0.00 C ATOM 1116 C ARG A 75 -2.521 -5.734 3.930 1.00 0.00 C ATOM 1117 O ARG A 75 -3.111 -5.789 5.004 1.00 0.00 O ATOM 1118 CB ARG A 75 -3.270 -7.211 2.040 1.00 0.00 C ATOM 1119 CG ARG A 75 -3.014 -8.425 1.132 1.00 0.00 C ATOM 1120 CD ARG A 75 -3.702 -9.713 1.608 1.00 0.00 C ATOM 1121 NE ARG A 75 -5.149 -9.700 1.325 1.00 0.00 N ATOM 1122 CZ ARG A 75 -5.765 -10.063 0.208 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -5.136 -10.516 -0.857 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -7.071 -9.964 0.183 1.00 0.00 N ATOM 0 H ARG A 75 -3.008 -8.142 4.744 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.235 -6.967 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.257 -7.311 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.289 -6.310 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.358 -8.192 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.940 -8.600 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.244 -10.572 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.543 -9.835 2.679 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.750 -9.372 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.120 -10.603 -0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.665 -10.780 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.572 -9.619 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.587 -10.232 -0.655 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.137 -4.575 3.400 1.00 0.00 N ATOM 1139 CA VAL A 76 -2.320 -3.271 4.074 1.00 0.00 C ATOM 1140 C VAL A 76 -3.062 -2.307 3.152 1.00 0.00 C ATOM 1141 O VAL A 76 -2.641 -2.090 2.017 1.00 0.00 O ATOM 1142 CB VAL A 76 -0.971 -2.669 4.533 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -1.187 -1.415 5.396 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -0.162 -3.692 5.348 1.00 0.00 C ATOM 0 H VAL A 76 -1.687 -4.503 2.487 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.919 -3.434 4.970 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.420 -2.398 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.221 -1.014 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.724 -0.663 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.769 -1.677 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.782 -3.245 5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.731 -3.987 6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.038 -4.570 4.734 1.00 0.00 H new ATOM 1154 N ASN A 77 -4.161 -1.734 3.647 1.00 0.00 N ATOM 1155 CA ASN A 77 -5.069 -0.866 2.889 1.00 0.00 C ATOM 1156 C ASN A 77 -6.038 -0.137 3.835 1.00 0.00 C ATOM 1157 O ASN A 77 -6.931 -0.755 4.414 1.00 0.00 O ATOM 1158 CB ASN A 77 -5.836 -1.703 1.840 1.00 0.00 C ATOM 1159 CG ASN A 77 -6.814 -0.896 0.985 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -6.886 0.326 1.039 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -7.603 -1.565 0.162 1.00 0.00 N ATOM 0 H ASN A 77 -4.454 -1.864 4.615 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.485 -0.108 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.115 -2.191 1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.386 -2.492 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.269 -1.064 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.546 -2.582 0.115 1.00 0.00 H new ATOM 1168 N ASN A 78 -5.917 1.189 3.946 1.00 0.00 N ATOM 1169 CA ASN A 78 -6.819 2.036 4.730 1.00 0.00 C ATOM 1170 C ASN A 78 -8.054 2.365 3.871 1.00 0.00 C ATOM 1171 O ASN A 78 -8.223 3.478 3.378 1.00 0.00 O ATOM 1172 CB ASN A 78 -6.095 3.287 5.261 1.00 0.00 C ATOM 1173 CG ASN A 78 -4.859 3.045 6.120 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -4.435 1.928 6.386 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -4.251 4.116 6.591 1.00 0.00 N ATOM 0 H ASN A 78 -5.174 1.714 3.484 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.157 1.504 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.803 3.900 4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.807 3.871 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.424 4.016 7.179 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.608 5.045 6.367 1.00 0.00 H new ATOM 1182 N SER A 79 -8.889 1.348 3.678 1.00 0.00 N ATOM 1183 CA SER A 79 -10.035 1.273 2.753 1.00 0.00 C ATOM 1184 C SER A 79 -10.794 2.588 2.520 1.00 0.00 C ATOM 1185 O SER A 79 -10.784 3.108 1.404 1.00 0.00 O ATOM 1186 CB SER A 79 -10.984 0.162 3.229 1.00 0.00 C ATOM 1187 OG SER A 79 -11.361 0.339 4.590 1.00 0.00 O ATOM 0 H SER A 79 -8.780 0.480 4.203 1.00 0.00 H new ATOM 0 HA SER A 79 -9.617 1.043 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.876 0.152 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.499 -0.807 3.109 1.00 0.00 H new ATOM 0 HG SER A 79 -11.966 -0.384 4.859 1.00 0.00 H new ATOM 1193 N LEU A 80 -11.424 3.138 3.565 1.00 0.00 N ATOM 1194 CA LEU A 80 -12.184 4.399 3.475 1.00 0.00 C ATOM 1195 C LEU A 80 -11.320 5.656 3.616 1.00 0.00 C ATOM 1196 O LEU A 80 -11.659 6.696 3.059 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.306 4.416 4.524 1.00 0.00 C ATOM 1198 CG LEU A 80 -14.417 3.367 4.327 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.524 3.640 5.356 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.005 3.386 2.905 1.00 0.00 C ATOM 0 H LEU A 80 -11.424 2.725 4.498 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.604 4.427 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.861 4.268 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.762 5.406 4.526 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.983 2.377 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.322 2.908 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.112 3.564 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -15.924 4.642 5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.783 2.627 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.433 4.368 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.216 3.177 2.182 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.189 5.572 4.315 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.258 6.696 4.468 1.00 0.00 C ATOM 1214 C ASP A 81 -8.702 7.149 3.107 1.00 0.00 C ATOM 1215 O ASP A 81 -8.590 8.344 2.832 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.125 6.267 5.403 1.00 0.00 C ATOM 1217 CG ASP A 81 -7.311 7.445 5.947 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -7.796 8.077 6.915 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -6.191 7.692 5.442 1.00 0.00 O ATOM 0 H ASP A 81 -9.889 4.722 4.793 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.787 7.547 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.545 5.707 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.459 5.590 4.869 1.00 0.00 H new ATOM 1224 N HIS A 82 -8.446 6.181 2.223 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.075 6.398 0.824 1.00 0.00 C ATOM 1226 C HIS A 82 -9.141 7.184 0.020 1.00 0.00 C ATOM 1227 O HIS A 82 -8.799 7.892 -0.933 1.00 0.00 O ATOM 1228 CB HIS A 82 -7.841 5.008 0.201 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.442 5.030 -1.254 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -8.290 4.946 -2.336 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -6.167 5.110 -1.750 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -7.547 4.985 -3.454 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -6.237 5.082 -3.152 1.00 0.00 N ATOM 0 H HIS A 82 -8.493 5.193 2.471 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.177 7.015 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.064 4.496 0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.753 4.420 0.305 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.306 4.868 -2.295 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.263 5.182 -1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.945 4.944 -4.457 1.00 0.00 H new ATOM 1241 N GLU A 83 -10.422 7.077 0.401 1.00 0.00 N ATOM 1242 CA GLU A 83 -11.544 7.635 -0.359 1.00 0.00 C ATOM 1243 C GLU A 83 -11.855 9.101 -0.017 1.00 0.00 C ATOM 1244 O GLU A 83 -12.345 9.831 -0.882 1.00 0.00 O ATOM 1245 CB GLU A 83 -12.817 6.789 -0.165 1.00 0.00 C ATOM 1246 CG GLU A 83 -12.676 5.334 -0.632 1.00 0.00 C ATOM 1247 CD GLU A 83 -12.304 5.227 -2.120 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -13.196 5.418 -2.982 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -11.122 4.942 -2.435 1.00 0.00 O ATOM 0 H GLU A 83 -10.708 6.596 1.254 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.228 7.606 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.089 6.796 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.638 7.256 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.913 4.836 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.614 4.807 -0.456 1.00 0.00 H new ATOM 1256 N TYR A 84 -11.578 9.540 1.219 1.00 0.00 N ATOM 1257 CA TYR A 84 -12.047 10.846 1.713 1.00 0.00 C ATOM 1258 C TYR A 84 -10.967 11.874 2.121 1.00 0.00 C ATOM 1259 O TYR A 84 -11.194 13.074 1.948 1.00 0.00 O ATOM 1260 CB TYR A 84 -12.963 10.598 2.930 1.00 0.00 C ATOM 1261 CG TYR A 84 -14.038 9.525 2.826 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -14.835 9.386 1.671 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -14.266 8.686 3.935 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -15.835 8.393 1.620 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -15.265 7.699 3.893 1.00 0.00 C ATOM 1266 CZ TYR A 84 -16.050 7.544 2.731 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.021 6.590 2.689 1.00 0.00 O ATOM 0 H TYR A 84 -11.031 9.010 1.897 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.551 11.301 0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.326 10.347 3.778 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -13.457 11.540 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.680 10.040 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.667 8.803 4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.438 8.280 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.432 7.061 4.748 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.031 6.096 3.535 1.00 0.00 H new ATOM 1277 N GLN A 85 -9.858 11.465 2.760 1.00 0.00 N ATOM 1278 CA GLN A 85 -9.377 12.215 3.938 1.00 0.00 C ATOM 1279 C GLN A 85 -7.869 12.119 4.288 1.00 0.00 C ATOM 1280 O GLN A 85 -7.216 11.138 3.924 1.00 0.00 O ATOM 1281 CB GLN A 85 -10.195 11.705 5.139 1.00 0.00 C ATOM 1282 CG GLN A 85 -10.003 10.197 5.418 1.00 0.00 C ATOM 1283 CD GLN A 85 -10.935 9.653 6.494 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -12.076 10.069 6.623 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -10.480 8.742 7.326 1.00 0.00 N ATOM 0 H GLN A 85 -9.296 10.655 2.498 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.512 13.269 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.913 12.270 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -11.252 11.902 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.165 9.642 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.971 10.020 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.528 8.389 7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.079 8.388 8.072 1.00 0.00 H new ATOM 1294 N PRO A 86 -7.337 13.095 5.066 1.00 0.00 N ATOM 1295 CA PRO A 86 -6.004 13.067 5.677 1.00 0.00 C ATOM 1296 C PRO A 86 -5.995 12.623 7.161 1.00 0.00 C ATOM 1297 O PRO A 86 -4.929 12.648 7.771 1.00 0.00 O ATOM 1298 CB PRO A 86 -5.527 14.518 5.581 1.00 0.00 C ATOM 1299 CG PRO A 86 -6.812 15.298 5.877 1.00 0.00 C ATOM 1300 CD PRO A 86 -7.895 14.438 5.218 1.00 0.00 C ATOM 0 HA PRO A 86 -5.373 12.340 5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.741 14.737 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.127 14.751 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.980 15.408 6.948 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.781 16.302 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.796 14.415 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.179 14.850 4.250 1.00 0.00 H new ATOM 1308 N ARG A 87 -7.165 12.281 7.738 1.00 0.00 N ATOM 1309 CA ARG A 87 -7.476 11.933 9.141 1.00 0.00 C ATOM 1310 C ARG A 87 -6.270 11.654 10.087 1.00 0.00 C ATOM 1311 O ARG A 87 -5.459 10.766 9.796 1.00 0.00 O ATOM 1312 CB ARG A 87 -8.430 10.721 9.102 1.00 0.00 C ATOM 1313 CG ARG A 87 -9.379 10.562 10.301 1.00 0.00 C ATOM 1314 CD ARG A 87 -10.468 11.637 10.416 1.00 0.00 C ATOM 1315 NE ARG A 87 -11.295 11.742 9.193 1.00 0.00 N ATOM 1316 CZ ARG A 87 -11.536 12.824 8.453 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -10.992 13.997 8.702 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -12.341 12.734 7.423 1.00 0.00 N ATOM 0 H ARG A 87 -8.010 12.237 7.168 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.922 12.821 9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.032 10.789 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.829 9.815 9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.859 9.586 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.787 10.567 11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.111 11.409 11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.002 12.601 10.619 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.736 10.878 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.355 14.106 9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.208 14.796 8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.777 11.841 7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.531 13.557 6.851 1.00 0.00 H new ATOM 1332 N PRO A 88 -6.168 12.357 11.241 1.00 0.00 N ATOM 1333 CA PRO A 88 -4.986 12.355 12.109 1.00 0.00 C ATOM 1334 C PRO A 88 -4.701 10.979 12.727 1.00 0.00 C ATOM 1335 O PRO A 88 -5.512 10.424 13.465 1.00 0.00 O ATOM 1336 CB PRO A 88 -5.246 13.422 13.178 1.00 0.00 C ATOM 1337 CG PRO A 88 -6.769 13.470 13.249 1.00 0.00 C ATOM 1338 CD PRO A 88 -7.160 13.278 11.791 1.00 0.00 C ATOM 0 HA PRO A 88 -4.089 12.581 11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.805 13.149 14.137 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.824 14.387 12.897 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.173 12.683 13.887 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.129 14.419 13.646 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.166 12.869 11.705 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.155 14.227 11.255 1.00 0.00 H new ATOM 1346 N VAL A 89 -3.500 10.463 12.459 1.00 0.00 N ATOM 1347 CA VAL A 89 -3.087 9.096 12.831 1.00 0.00 C ATOM 1348 C VAL A 89 -2.990 8.906 14.348 1.00 0.00 C ATOM 1349 O VAL A 89 -3.366 7.850 14.850 1.00 0.00 O ATOM 1350 CB VAL A 89 -1.767 8.736 12.102 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -0.970 7.606 12.770 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -2.081 8.383 10.636 1.00 0.00 C ATOM 0 H VAL A 89 -2.772 10.985 11.971 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.861 8.401 12.504 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.124 9.614 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.061 7.415 12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.705 7.899 13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.577 6.701 12.800 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.157 8.129 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.761 7.532 10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.548 9.238 10.148 1.00 0.00 H new ATOM 1362 N GLU A 90 -2.573 9.935 15.099 1.00 0.00 N ATOM 1363 CA GLU A 90 -2.467 9.858 16.568 1.00 0.00 C ATOM 1364 C GLU A 90 -3.836 9.644 17.225 1.00 0.00 C ATOM 1365 O GLU A 90 -3.948 8.911 18.209 1.00 0.00 O ATOM 1366 CB GLU A 90 -1.836 11.140 17.140 1.00 0.00 C ATOM 1367 CG GLU A 90 -0.463 11.461 16.542 1.00 0.00 C ATOM 1368 CD GLU A 90 0.208 12.620 17.292 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -0.031 13.798 16.931 1.00 0.00 O ATOM 1370 OE2 GLU A 90 0.980 12.362 18.245 1.00 0.00 O ATOM 0 H GLU A 90 -2.301 10.839 14.712 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.830 9.002 16.793 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.508 11.979 16.959 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.738 11.037 18.221 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.173 10.577 16.588 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.573 11.720 15.489 1.00 0.00 H new ATOM 1377 N VAL A 91 -4.893 10.236 16.658 1.00 0.00 N ATOM 1378 CA VAL A 91 -6.265 10.121 17.180 1.00 0.00 C ATOM 1379 C VAL A 91 -6.836 8.732 16.868 1.00 0.00 C ATOM 1380 O VAL A 91 -7.490 8.143 17.723 1.00 0.00 O ATOM 1381 CB VAL A 91 -7.178 11.240 16.628 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -8.592 11.186 17.226 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -6.569 12.629 16.910 1.00 0.00 C ATOM 0 H VAL A 91 -4.823 10.812 15.819 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.228 10.244 18.262 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.253 11.076 15.553 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.195 11.992 16.807 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.052 10.227 16.987 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.534 11.301 18.308 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.227 13.402 16.513 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.456 12.765 17.986 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.593 12.702 16.431 1.00 0.00 H new ATOM 1393 N ILE A 92 -6.531 8.158 15.691 1.00 0.00 N ATOM 1394 CA ILE A 92 -6.925 6.777 15.349 1.00 0.00 C ATOM 1395 C ILE A 92 -6.180 5.761 16.226 1.00 0.00 C ATOM 1396 O ILE A 92 -6.807 4.844 16.744 1.00 0.00 O ATOM 1397 CB ILE A 92 -6.747 6.523 13.830 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -7.650 7.501 13.034 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -7.101 5.064 13.472 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -7.452 7.463 11.518 1.00 0.00 C ATOM 0 H ILE A 92 -6.009 8.632 14.954 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.985 6.643 15.565 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.703 6.693 13.566 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.693 7.274 13.256 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.462 8.515 13.386 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.969 4.910 12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.447 4.386 14.020 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.138 4.865 13.742 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.124 8.179 11.045 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.420 7.722 11.279 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.670 6.461 11.148 1.00 0.00 H new ATOM 1412 N ILE A 93 -4.881 5.956 16.480 1.00 0.00 N ATOM 1413 CA ILE A 93 -4.104 5.112 17.411 1.00 0.00 C ATOM 1414 C ILE A 93 -4.625 5.241 18.847 1.00 0.00 C ATOM 1415 O ILE A 93 -4.782 4.235 19.531 1.00 0.00 O ATOM 1416 CB ILE A 93 -2.595 5.442 17.277 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -2.081 4.902 15.921 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -1.768 4.873 18.445 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -0.658 5.353 15.579 1.00 0.00 C ATOM 0 H ILE A 93 -4.334 6.701 16.049 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.234 4.063 17.145 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.474 6.525 17.314 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.113 3.813 15.938 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.756 5.229 15.130 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.718 5.130 18.306 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.125 5.297 19.384 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.876 3.789 18.473 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.366 4.936 14.615 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.623 6.441 15.529 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.030 5.003 16.349 1.00 0.00 H new ATOM 1431 N SER A 94 -4.942 6.453 19.302 1.00 0.00 N ATOM 1432 CA SER A 94 -5.529 6.676 20.634 1.00 0.00 C ATOM 1433 C SER A 94 -6.905 6.000 20.766 1.00 0.00 C ATOM 1434 O SER A 94 -7.194 5.347 21.767 1.00 0.00 O ATOM 1435 CB SER A 94 -5.657 8.184 20.924 1.00 0.00 C ATOM 1436 OG SER A 94 -4.407 8.855 20.838 1.00 0.00 O ATOM 0 H SER A 94 -4.802 7.308 18.764 1.00 0.00 H new ATOM 0 HA SER A 94 -4.858 6.226 21.365 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.356 8.630 20.217 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.076 8.326 21.920 1.00 0.00 H new ATOM 0 HG SER A 94 -4.025 8.722 19.945 1.00 0.00 H new ATOM 1442 N SER A 95 -7.737 6.096 19.726 1.00 0.00 N ATOM 1443 CA SER A 95 -9.031 5.418 19.634 1.00 0.00 C ATOM 1444 C SER A 95 -8.870 3.891 19.662 1.00 0.00 C ATOM 1445 O SER A 95 -9.554 3.218 20.432 1.00 0.00 O ATOM 1446 CB SER A 95 -9.727 5.875 18.344 1.00 0.00 C ATOM 1447 OG SER A 95 -11.044 5.375 18.218 1.00 0.00 O ATOM 0 H SER A 95 -7.523 6.662 18.905 1.00 0.00 H new ATOM 0 HA SER A 95 -9.640 5.684 20.498 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.754 6.964 18.319 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.138 5.551 17.486 1.00 0.00 H new ATOM 0 HG SER A 95 -11.310 5.388 17.275 1.00 0.00 H new ATOM 1453 N ALA A 96 -7.920 3.332 18.900 1.00 0.00 N ATOM 1454 CA ALA A 96 -7.593 1.907 18.917 1.00 0.00 C ATOM 1455 C ALA A 96 -7.187 1.422 20.319 1.00 0.00 C ATOM 1456 O ALA A 96 -7.705 0.412 20.795 1.00 0.00 O ATOM 1457 CB ALA A 96 -6.512 1.659 17.860 1.00 0.00 C ATOM 0 H ALA A 96 -7.351 3.869 18.246 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.476 1.318 18.668 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.248 0.601 17.851 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.889 1.948 16.879 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.628 2.251 18.097 1.00 0.00 H new ATOM 1463 N LYS A 97 -6.331 2.171 21.024 1.00 0.00 N ATOM 1464 CA LYS A 97 -5.990 1.885 22.425 1.00 0.00 C ATOM 1465 C LYS A 97 -7.232 1.931 23.338 1.00 0.00 C ATOM 1466 O LYS A 97 -7.503 0.961 24.051 1.00 0.00 O ATOM 1467 CB LYS A 97 -4.887 2.854 22.888 1.00 0.00 C ATOM 1468 CG LYS A 97 -3.526 2.544 22.241 1.00 0.00 C ATOM 1469 CD LYS A 97 -2.484 3.595 22.652 1.00 0.00 C ATOM 1470 CE LYS A 97 -1.117 3.287 22.021 1.00 0.00 C ATOM 1471 NZ LYS A 97 -0.086 4.281 22.433 1.00 0.00 N ATOM 0 H LYS A 97 -5.856 2.989 20.643 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.607 0.867 22.497 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.178 3.876 22.644 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.792 2.800 23.972 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.190 1.552 22.544 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.627 2.529 21.156 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.818 4.585 22.341 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.391 3.616 23.738 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.797 2.287 22.315 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.209 3.286 20.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.824 4.042 21.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.380 5.232 22.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.019 4.264 23.468 1.00 0.00 H new ATOM 1485 N GLU A 98 -8.041 2.990 23.266 1.00 0.00 N ATOM 1486 CA GLU A 98 -9.273 3.135 24.061 1.00 0.00 C ATOM 1487 C GLU A 98 -10.313 2.030 23.790 1.00 0.00 C ATOM 1488 O GLU A 98 -11.049 1.632 24.694 1.00 0.00 O ATOM 1489 CB GLU A 98 -9.909 4.513 23.821 1.00 0.00 C ATOM 1490 CG GLU A 98 -9.158 5.643 24.537 1.00 0.00 C ATOM 1491 CD GLU A 98 -9.873 6.988 24.335 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -9.585 7.699 23.344 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -10.730 7.348 25.177 1.00 0.00 O ATOM 0 H GLU A 98 -7.862 3.782 22.649 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.971 3.037 25.104 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.931 4.717 22.751 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.944 4.496 24.163 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.087 5.420 25.602 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.139 5.707 24.156 1.00 0.00 H new ATOM 1500 N MET A 99 -10.351 1.496 22.564 1.00 0.00 N ATOM 1501 CA MET A 99 -11.255 0.413 22.141 1.00 0.00 C ATOM 1502 C MET A 99 -10.877 -0.972 22.689 1.00 0.00 C ATOM 1503 O MET A 99 -11.706 -1.878 22.628 1.00 0.00 O ATOM 1504 CB MET A 99 -11.334 0.387 20.605 1.00 0.00 C ATOM 1505 CG MET A 99 -12.237 1.507 20.064 1.00 0.00 C ATOM 1506 SD MET A 99 -14.027 1.286 20.272 1.00 0.00 S ATOM 1507 CE MET A 99 -14.290 -0.229 19.309 1.00 0.00 C ATOM 0 H MET A 99 -9.736 1.813 21.814 1.00 0.00 H new ATOM 0 HA MET A 99 -12.232 0.634 22.570 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.333 0.493 20.187 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.716 -0.579 20.276 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.951 2.439 20.551 1.00 0.00 H new ATOM 0 HG3 MET A 99 -12.031 1.626 19.000 1.00 0.00 H new ATOM 0 HE1 MET A 99 -15.348 -0.327 19.066 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.710 -0.180 18.388 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.971 -1.092 19.894 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.678 -1.162 23.250 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.272 -2.435 23.874 1.00 0.00 C ATOM 1519 C VAL A 100 -10.252 -2.831 24.985 1.00 0.00 C ATOM 1520 O VAL A 100 -10.527 -2.053 25.898 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.822 -2.403 24.414 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.442 -3.699 25.154 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -6.836 -2.239 23.250 1.00 0.00 C ATOM 0 H VAL A 100 -8.958 -0.440 23.286 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.299 -3.190 23.089 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.769 -1.565 25.109 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.415 -3.625 25.513 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.113 -3.845 26.001 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.528 -4.546 24.473 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.817 -2.217 23.637 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.945 -3.076 22.560 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.045 -1.307 22.725 1.00 0.00 H new ATOM 1533 N GLY A 101 -10.777 -4.053 24.878 1.00 0.00 N ATOM 1534 CA GLY A 101 -11.750 -4.640 25.808 1.00 0.00 C ATOM 1535 C GLY A 101 -13.218 -4.418 25.421 1.00 0.00 C ATOM 1536 O GLY A 101 -14.096 -4.917 26.123 1.00 0.00 O ATOM 0 H GLY A 101 -10.530 -4.685 24.116 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.565 -5.712 25.878 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.582 -4.222 26.800 1.00 0.00 H new ATOM 1540 N GLN A 102 -13.505 -3.699 24.329 1.00 0.00 N ATOM 1541 CA GLN A 102 -14.864 -3.545 23.805 1.00 0.00 C ATOM 1542 C GLN A 102 -15.315 -4.829 23.101 1.00 0.00 C ATOM 1543 O GLN A 102 -14.534 -5.490 22.415 1.00 0.00 O ATOM 1544 CB GLN A 102 -14.951 -2.349 22.834 1.00 0.00 C ATOM 1545 CG GLN A 102 -14.721 -0.978 23.498 1.00 0.00 C ATOM 1546 CD GLN A 102 -15.799 -0.556 24.502 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -16.849 -1.174 24.655 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -15.583 0.514 25.243 1.00 0.00 N ATOM 0 H GLN A 102 -12.798 -3.207 23.783 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.529 -3.351 24.647 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -14.215 -2.484 22.042 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.933 -2.351 22.360 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -13.758 -0.995 24.008 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.655 -0.220 22.718 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.718 1.044 25.134 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.281 0.811 25.925 1.00 0.00 H new ATOM 1557 N LYS A 103 -16.598 -5.148 23.257 1.00 0.00 N ATOM 1558 CA LYS A 103 -17.302 -6.263 22.607 1.00 0.00 C ATOM 1559 C LYS A 103 -18.352 -5.750 21.602 1.00 0.00 C ATOM 1560 O LYS A 103 -18.920 -4.671 21.794 1.00 0.00 O ATOM 1561 CB LYS A 103 -17.984 -7.149 23.670 1.00 0.00 C ATOM 1562 CG LYS A 103 -17.029 -7.698 24.744 1.00 0.00 C ATOM 1563 CD LYS A 103 -17.769 -8.586 25.761 1.00 0.00 C ATOM 1564 CE LYS A 103 -18.012 -10.015 25.247 1.00 0.00 C ATOM 1565 NZ LYS A 103 -16.906 -10.936 25.624 1.00 0.00 N ATOM 0 H LYS A 103 -17.211 -4.611 23.871 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.566 -6.853 22.060 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -18.768 -6.571 24.159 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -18.470 -7.987 23.170 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -16.236 -8.274 24.267 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.551 -6.868 25.265 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.191 -8.631 26.684 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -18.726 -8.127 26.007 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -18.952 -10.391 25.651 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -18.116 -9.998 24.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.878 -11.735 24.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.001 -10.425 25.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -17.065 -11.293 26.588 1.00 0.00 H new ATOM 1579 N MET A 104 -18.654 -6.530 20.554 1.00 0.00 N ATOM 1580 CA MET A 104 -19.618 -6.146 19.501 1.00 0.00 C ATOM 1581 C MET A 104 -20.145 -7.313 18.655 1.00 0.00 C ATOM 1582 O MET A 104 -19.421 -8.254 18.335 1.00 0.00 O ATOM 1583 CB MET A 104 -19.019 -5.049 18.598 1.00 0.00 C ATOM 1584 CG MET A 104 -17.742 -5.497 17.873 1.00 0.00 C ATOM 1585 SD MET A 104 -16.967 -4.192 16.891 1.00 0.00 S ATOM 1586 CE MET A 104 -16.200 -3.224 18.216 1.00 0.00 C ATOM 0 H MET A 104 -18.237 -7.449 20.408 1.00 0.00 H new ATOM 0 HA MET A 104 -20.489 -5.760 20.031 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.762 -4.748 17.860 1.00 0.00 H new ATOM 0 HB3 MET A 104 -18.797 -4.170 19.203 1.00 0.00 H new ATOM 0 HG2 MET A 104 -17.025 -5.859 18.610 1.00 0.00 H new ATOM 0 HG3 MET A 104 -17.981 -6.337 17.221 1.00 0.00 H new ATOM 0 HE1 MET A 104 -15.559 -2.457 17.782 1.00 0.00 H new ATOM 0 HE2 MET A 104 -16.976 -2.751 18.817 1.00 0.00 H new ATOM 0 HE3 MET A 104 -15.603 -3.881 18.848 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.399 -7.200 18.219 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.050 -8.078 17.232 1.00 0.00 C ATOM 1598 C LYS A 105 -23.033 -7.244 16.373 1.00 0.00 C ATOM 1599 O LYS A 105 -24.246 -7.452 16.365 1.00 0.00 O ATOM 1600 CB LYS A 105 -22.669 -9.291 17.953 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.257 -10.332 16.975 1.00 0.00 C ATOM 1602 CD LYS A 105 -23.339 -11.757 17.540 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.976 -11.825 18.934 1.00 0.00 C ATOM 1604 NZ LYS A 105 -25.431 -11.493 18.927 1.00 0.00 N ATOM 0 H LYS A 105 -22.020 -6.464 18.555 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.332 -8.498 16.527 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -21.908 -9.768 18.570 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -23.455 -8.946 18.625 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -24.257 -10.013 16.681 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -22.649 -10.347 16.071 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.915 -12.379 16.855 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -22.335 -12.180 17.586 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -23.840 -12.827 19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -23.455 -11.137 19.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -25.806 -11.556 19.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -25.565 -10.527 18.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -25.937 -12.165 18.316 1.00 0.00 H new ATOM 1618 N TYR A 106 -22.491 -6.227 15.694 1.00 0.00 N ATOM 1619 CA TYR A 106 -23.251 -5.232 14.915 1.00 0.00 C ATOM 1620 C TYR A 106 -23.971 -5.827 13.688 1.00 0.00 C ATOM 1621 O TYR A 106 -25.039 -5.358 13.297 1.00 0.00 O ATOM 1622 CB TYR A 106 -22.258 -4.141 14.476 1.00 0.00 C ATOM 1623 CG TYR A 106 -22.811 -3.122 13.498 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -23.697 -2.123 13.941 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -22.440 -3.179 12.139 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -24.209 -1.177 13.035 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -22.951 -2.238 11.224 1.00 0.00 C ATOM 1628 CZ TYR A 106 -23.835 -1.229 11.674 1.00 0.00 C ATOM 1629 OH TYR A 106 -24.332 -0.310 10.800 1.00 0.00 O ATOM 0 H TYR A 106 -21.484 -6.065 15.668 1.00 0.00 H new ATOM 0 HA TYR A 106 -24.043 -4.830 15.546 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -21.905 -3.615 15.363 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -21.391 -4.622 14.024 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -23.985 -2.082 14.981 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.761 -3.947 11.798 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -24.888 -0.411 13.380 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.669 -2.286 10.183 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.976 -0.485 9.904 1.00 0.00 H new ATOM 1639 N SER A 107 -23.383 -6.860 13.084 1.00 0.00 N ATOM 1640 CA SER A 107 -23.788 -7.438 11.794 1.00 0.00 C ATOM 1641 C SER A 107 -23.121 -8.820 11.592 1.00 0.00 C ATOM 1642 O SER A 107 -22.618 -9.414 12.551 1.00 0.00 O ATOM 1643 CB SER A 107 -23.419 -6.426 10.688 1.00 0.00 C ATOM 1644 OG SER A 107 -23.945 -6.802 9.422 1.00 0.00 O ATOM 0 H SER A 107 -22.580 -7.338 13.492 1.00 0.00 H new ATOM 0 HA SER A 107 -24.863 -7.615 11.759 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.797 -5.440 10.959 1.00 0.00 H new ATOM 0 HB3 SER A 107 -22.334 -6.344 10.620 1.00 0.00 H new ATOM 0 HG SER A 107 -23.690 -6.135 8.751 1.00 0.00 H new ATOM 1650 N ILE A 108 -23.088 -9.329 10.355 1.00 0.00 N ATOM 1651 CA ILE A 108 -22.305 -10.520 9.971 1.00 0.00 C ATOM 1652 C ILE A 108 -20.812 -10.270 10.238 1.00 0.00 C ATOM 1653 O ILE A 108 -20.364 -9.129 10.132 1.00 0.00 O ATOM 1654 CB ILE A 108 -22.583 -10.925 8.500 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -22.203 -9.812 7.489 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -24.054 -11.356 8.357 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -22.339 -10.225 6.018 1.00 0.00 C ATOM 0 H ILE A 108 -23.610 -8.923 9.578 1.00 0.00 H new ATOM 0 HA ILE A 108 -22.617 -11.365 10.585 1.00 0.00 H new ATOM 0 HB ILE A 108 -21.940 -11.770 8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -22.834 -8.942 7.670 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -21.174 -9.504 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -24.251 -11.641 7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -24.249 -12.206 9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -24.705 -10.527 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -22.054 -9.390 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -21.687 -11.075 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.372 -10.504 5.812 1.00 0.00 H new ATOM 1669 N VAL A 109 -20.028 -11.309 10.547 1.00 0.00 N ATOM 1670 CA VAL A 109 -18.635 -11.160 11.043 1.00 0.00 C ATOM 1671 C VAL A 109 -17.737 -10.258 10.184 1.00 0.00 C ATOM 1672 O VAL A 109 -16.961 -9.480 10.733 1.00 0.00 O ATOM 1673 CB VAL A 109 -17.926 -12.513 11.306 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.587 -13.236 12.491 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -17.892 -13.444 10.080 1.00 0.00 C ATOM 0 H VAL A 109 -20.331 -12.279 10.464 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.773 -10.651 11.997 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.889 -12.271 11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -18.081 -14.185 12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.513 -12.615 13.384 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -19.637 -13.421 12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -17.380 -14.370 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -18.911 -13.668 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.360 -12.953 9.265 1.00 0.00 H new ATOM 1685 N SER A 110 -17.892 -10.281 8.855 1.00 0.00 N ATOM 1686 CA SER A 110 -17.138 -9.404 7.946 1.00 0.00 C ATOM 1687 C SER A 110 -17.468 -7.925 8.194 1.00 0.00 C ATOM 1688 O SER A 110 -16.572 -7.127 8.489 1.00 0.00 O ATOM 1689 CB SER A 110 -17.417 -9.780 6.481 1.00 0.00 C ATOM 1690 OG SER A 110 -17.155 -11.156 6.239 1.00 0.00 O ATOM 0 H SER A 110 -18.542 -10.906 8.378 1.00 0.00 H new ATOM 0 HA SER A 110 -16.077 -9.547 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.456 -9.558 6.239 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.799 -9.169 5.823 1.00 0.00 H new ATOM 0 HG SER A 110 -17.343 -11.365 5.300 1.00 0.00 H new ATOM 1696 N ARG A 111 -18.758 -7.550 8.178 1.00 0.00 N ATOM 1697 CA ARG A 111 -19.166 -6.170 8.469 1.00 0.00 C ATOM 1698 C ARG A 111 -18.977 -5.818 9.938 1.00 0.00 C ATOM 1699 O ARG A 111 -18.665 -4.674 10.222 1.00 0.00 O ATOM 1700 CB ARG A 111 -20.603 -5.881 8.003 1.00 0.00 C ATOM 1701 CG ARG A 111 -21.001 -4.386 8.120 1.00 0.00 C ATOM 1702 CD ARG A 111 -20.143 -3.384 7.328 1.00 0.00 C ATOM 1703 NE ARG A 111 -19.730 -3.886 6.009 1.00 0.00 N ATOM 1704 CZ ARG A 111 -20.400 -3.885 4.866 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -21.625 -3.420 4.746 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -19.785 -4.380 3.818 1.00 0.00 N ATOM 0 H ARG A 111 -19.531 -8.181 7.967 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.505 -5.523 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -20.711 -6.198 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -21.296 -6.481 8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -22.036 -4.282 7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.969 -4.106 9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.705 -2.459 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.255 -3.138 7.910 1.00 0.00 H new ATOM 0 HE ARG A 111 -18.795 -4.293 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -22.106 -3.035 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.093 -3.444 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -18.836 -4.742 3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -20.256 -4.403 2.914 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.049 -6.762 10.870 1.00 0.00 N ATOM 1721 CA ASN A 112 -18.693 -6.529 12.275 1.00 0.00 C ATOM 1722 C ASN A 112 -17.216 -6.100 12.410 1.00 0.00 C ATOM 1723 O ASN A 112 -16.893 -5.233 13.215 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.020 -7.805 13.074 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.152 -7.580 14.577 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -19.659 -6.567 15.037 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -18.751 -8.542 15.387 1.00 0.00 N ATOM 0 H ASN A 112 -19.356 -7.715 10.677 1.00 0.00 H new ATOM 0 HA ASN A 112 -19.277 -5.704 12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -19.951 -8.228 12.697 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.239 -8.544 12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -18.864 -8.440 16.396 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.328 -9.388 15.004 1.00 0.00 H new ATOM 1734 N CYS A 113 -16.336 -6.618 11.541 1.00 0.00 N ATOM 1735 CA CYS A 113 -14.922 -6.244 11.466 1.00 0.00 C ATOM 1736 C CYS A 113 -14.678 -4.921 10.690 1.00 0.00 C ATOM 1737 O CYS A 113 -13.934 -4.055 11.156 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.166 -7.476 10.944 1.00 0.00 C ATOM 1739 SG CYS A 113 -12.468 -7.444 11.580 1.00 0.00 S ATOM 0 H CYS A 113 -16.598 -7.326 10.855 1.00 0.00 H new ATOM 0 HA CYS A 113 -14.527 -5.988 12.449 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.670 -8.389 11.262 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.159 -7.479 9.854 1.00 0.00 H new ATOM 0 HG CYS A 113 -12.091 -6.211 11.748 1.00 0.00 H new ATOM 1745 N GLU A 114 -15.373 -4.683 9.573 1.00 0.00 N ATOM 1746 CA GLU A 114 -15.355 -3.376 8.878 1.00 0.00 C ATOM 1747 C GLU A 114 -15.950 -2.247 9.749 1.00 0.00 C ATOM 1748 O GLU A 114 -15.402 -1.147 9.835 1.00 0.00 O ATOM 1749 CB GLU A 114 -16.109 -3.460 7.540 1.00 0.00 C ATOM 1750 CG GLU A 114 -15.424 -4.358 6.501 1.00 0.00 C ATOM 1751 CD GLU A 114 -16.210 -4.361 5.181 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -17.306 -4.967 5.127 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -15.747 -3.742 4.194 1.00 0.00 O ATOM 0 H GLU A 114 -15.963 -5.382 9.121 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.310 -3.133 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -17.116 -3.835 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.213 -2.456 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.408 -4.007 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.347 -5.375 6.886 1.00 0.00 H new ATOM 1760 N HIS A 115 -17.043 -2.523 10.463 1.00 0.00 N ATOM 1761 CA HIS A 115 -17.648 -1.608 11.432 1.00 0.00 C ATOM 1762 C HIS A 115 -16.696 -1.369 12.626 1.00 0.00 C ATOM 1763 O HIS A 115 -16.646 -0.272 13.175 1.00 0.00 O ATOM 1764 CB HIS A 115 -19.006 -2.160 11.901 1.00 0.00 C ATOM 1765 CG HIS A 115 -19.755 -1.208 12.803 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -20.291 0.011 12.443 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.018 -1.381 14.136 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -20.846 0.561 13.536 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -20.697 -0.245 14.604 1.00 0.00 N ATOM 0 H HIS A 115 -17.543 -3.408 10.382 1.00 0.00 H new ATOM 0 HA HIS A 115 -17.819 -0.645 10.950 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -19.621 -2.384 11.029 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -18.846 -3.100 12.428 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.749 -2.244 14.726 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.344 1.519 13.555 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.013 -0.067 15.557 1.00 0.00 H new ATOM 1777 N PHE A 116 -15.893 -2.368 13.014 1.00 0.00 N ATOM 1778 CA PHE A 116 -14.818 -2.240 14.002 1.00 0.00 C ATOM 1779 C PHE A 116 -13.740 -1.244 13.545 1.00 0.00 C ATOM 1780 O PHE A 116 -13.518 -0.263 14.253 1.00 0.00 O ATOM 1781 CB PHE A 116 -14.258 -3.627 14.347 1.00 0.00 C ATOM 1782 CG PHE A 116 -12.805 -3.627 14.785 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -12.458 -3.097 16.040 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -11.792 -4.082 13.914 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.109 -3.019 16.429 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -10.443 -4.011 14.308 1.00 0.00 C ATOM 1787 CZ PHE A 116 -10.101 -3.483 15.565 1.00 0.00 C ATOM 0 H PHE A 116 -15.977 -3.313 12.638 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.227 -1.818 14.920 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -14.864 -4.062 15.142 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -14.362 -4.274 13.476 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.231 -2.748 16.708 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.052 -4.484 12.946 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.847 -2.603 17.391 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -9.668 -4.363 13.643 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.065 -3.434 15.867 1.00 0.00 H new ATOM 1797 N VAL A 117 -13.120 -1.413 12.366 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.115 -0.417 11.906 1.00 0.00 C ATOM 1799 C VAL A 117 -12.718 0.978 11.685 1.00 0.00 C ATOM 1800 O VAL A 117 -12.057 1.988 11.940 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.281 -0.856 10.680 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.314 -1.977 11.073 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.118 -1.282 9.469 1.00 0.00 C ATOM 0 H VAL A 117 -13.281 -2.194 11.730 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.414 -0.357 12.738 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.728 0.028 10.364 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.732 -2.278 10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.641 -1.620 11.853 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.879 -2.832 11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.456 -1.574 8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.751 -2.126 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.743 -0.449 9.148 1.00 0.00 H new ATOM 1813 N THR A 118 -14.003 1.052 11.306 1.00 0.00 N ATOM 1814 CA THR A 118 -14.731 2.330 11.203 1.00 0.00 C ATOM 1815 C THR A 118 -14.967 2.941 12.581 1.00 0.00 C ATOM 1816 O THR A 118 -14.745 4.132 12.717 1.00 0.00 O ATOM 1817 CB THR A 118 -16.010 2.186 10.368 1.00 0.00 C ATOM 1818 OG1 THR A 118 -15.667 1.536 9.161 1.00 0.00 O ATOM 1819 CG2 THR A 118 -16.617 3.536 9.980 1.00 0.00 C ATOM 0 H THR A 118 -14.565 0.236 11.064 1.00 0.00 H new ATOM 0 HA THR A 118 -14.105 3.039 10.661 1.00 0.00 H new ATOM 0 HB THR A 118 -16.734 1.636 10.969 1.00 0.00 H new ATOM 0 HG1 THR A 118 -15.539 0.579 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.519 3.373 9.391 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.868 4.095 10.882 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.896 4.103 9.391 1.00 0.00 H new ATOM 1827 N GLN A 119 -15.285 2.161 13.616 1.00 0.00 N ATOM 1828 CA GLN A 119 -15.327 2.641 15.008 1.00 0.00 C ATOM 1829 C GLN A 119 -13.976 3.213 15.488 1.00 0.00 C ATOM 1830 O GLN A 119 -13.974 4.122 16.320 1.00 0.00 O ATOM 1831 CB GLN A 119 -15.799 1.535 15.963 1.00 0.00 C ATOM 1832 CG GLN A 119 -17.323 1.342 15.946 1.00 0.00 C ATOM 1833 CD GLN A 119 -17.685 0.022 16.623 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -18.073 -0.048 17.783 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -17.488 -1.082 15.936 1.00 0.00 N ATOM 0 H GLN A 119 -15.522 1.174 13.517 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.048 3.458 15.023 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -15.316 0.596 15.691 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -15.479 1.776 16.977 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.809 2.171 16.461 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.688 1.347 14.919 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -17.165 -1.031 14.970 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -17.658 -1.990 16.369 1.00 0.00 H new ATOM 1844 N LEU A 120 -12.834 2.745 14.954 1.00 0.00 N ATOM 1845 CA LEU A 120 -11.525 3.335 15.271 1.00 0.00 C ATOM 1846 C LEU A 120 -11.406 4.763 14.709 1.00 0.00 C ATOM 1847 O LEU A 120 -11.107 5.686 15.467 1.00 0.00 O ATOM 1848 CB LEU A 120 -10.357 2.439 14.805 1.00 0.00 C ATOM 1849 CG LEU A 120 -10.400 0.966 15.262 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -9.070 0.285 14.925 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.720 0.819 16.753 1.00 0.00 C ATOM 0 H LEU A 120 -12.793 1.961 14.302 1.00 0.00 H new ATOM 0 HA LEU A 120 -11.456 3.401 16.357 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.325 2.458 13.716 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.425 2.880 15.159 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.211 0.477 14.723 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.102 -0.755 15.248 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.903 0.326 13.849 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.257 0.800 15.438 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.737 -0.238 17.019 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.957 1.329 17.341 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.694 1.262 16.961 1.00 0.00 H new ATOM 1863 N ARG A 121 -11.676 4.953 13.407 1.00 0.00 N ATOM 1864 CA ARG A 121 -11.622 6.268 12.722 1.00 0.00 C ATOM 1865 C ARG A 121 -12.955 7.044 12.669 1.00 0.00 C ATOM 1866 O ARG A 121 -13.071 8.009 11.920 1.00 0.00 O ATOM 1867 CB ARG A 121 -10.929 6.127 11.347 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.429 4.980 10.456 1.00 0.00 C ATOM 1869 CD ARG A 121 -10.997 5.093 8.985 1.00 0.00 C ATOM 1870 NE ARG A 121 -11.064 3.781 8.301 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.142 3.046 8.033 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -13.357 3.478 8.278 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -12.017 1.852 7.498 1.00 0.00 N ATOM 0 H ARG A 121 -11.943 4.189 12.786 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.008 6.913 13.350 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.052 7.063 10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -9.860 5.992 11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.064 4.035 10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.518 4.947 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -11.639 5.807 8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -9.980 5.482 8.931 1.00 0.00 H new ATOM 0 HE ARG A 121 -10.172 3.391 7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -13.497 4.402 8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.161 2.889 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -11.090 1.483 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -12.847 1.295 7.295 1.00 0.00 H new ATOM 1887 N TYR A 122 -13.945 6.677 13.483 1.00 0.00 N ATOM 1888 CA TYR A 122 -15.341 7.150 13.436 1.00 0.00 C ATOM 1889 C TYR A 122 -15.511 8.660 13.685 1.00 0.00 C ATOM 1890 O TYR A 122 -16.506 9.259 13.272 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.113 6.418 14.547 1.00 0.00 C ATOM 1892 CG TYR A 122 -17.609 6.294 14.326 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -18.116 5.221 13.567 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -18.495 7.227 14.900 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -19.502 5.084 13.368 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -19.884 7.097 14.704 1.00 0.00 C ATOM 1897 CZ TYR A 122 -20.393 6.024 13.934 1.00 0.00 C ATOM 1898 OH TYR A 122 -21.736 5.892 13.748 1.00 0.00 O ATOM 0 H TYR A 122 -13.793 6.006 14.236 1.00 0.00 H new ATOM 0 HA TYR A 122 -15.708 6.948 12.430 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -15.695 5.417 14.658 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -15.944 6.940 15.489 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -17.437 4.500 13.136 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -18.108 8.044 15.492 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -19.885 4.261 12.783 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -20.561 7.816 15.141 1.00 0.00 H new ATOM 0 HH TYR A 122 -22.203 6.622 14.205 1.00 0.00 H new ATOM 1908 N GLY A 123 -14.542 9.253 14.396 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.594 10.618 14.947 1.00 0.00 C ATOM 1910 C GLY A 123 -14.886 11.701 13.909 1.00 0.00 C ATOM 1911 O GLY A 123 -15.954 12.312 13.933 1.00 0.00 O ATOM 0 H GLY A 123 -13.666 8.778 14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -15.360 10.656 15.721 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.642 10.840 15.429 1.00 0.00 H new ATOM 1915 N LYS A 124 -13.930 11.944 13.006 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.053 12.965 11.946 1.00 0.00 C ATOM 1917 C LYS A 124 -14.408 12.387 10.553 1.00 0.00 C ATOM 1918 O LYS A 124 -14.733 13.158 9.646 1.00 0.00 O ATOM 1919 CB LYS A 124 -12.752 13.799 11.910 1.00 0.00 C ATOM 1920 CG LYS A 124 -12.794 15.072 12.773 1.00 0.00 C ATOM 1921 CD LYS A 124 -12.940 14.808 14.278 1.00 0.00 C ATOM 1922 CE LYS A 124 -12.858 16.133 15.045 1.00 0.00 C ATOM 1923 NZ LYS A 124 -13.036 15.940 16.511 1.00 0.00 N ATOM 0 H LYS A 124 -13.044 11.439 12.985 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.900 13.604 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.924 13.174 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.543 14.080 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -11.881 15.643 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -13.626 15.694 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -13.892 14.318 14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.155 14.132 14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.893 16.603 14.856 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -13.623 16.815 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.974 16.860 16.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -13.967 15.515 16.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.291 15.310 16.871 1.00 0.00 H new ATOM 1937 N SER A 125 -14.328 11.059 10.363 1.00 0.00 N ATOM 1938 CA SER A 125 -14.553 10.380 9.066 1.00 0.00 C ATOM 1939 C SER A 125 -16.033 10.333 8.662 1.00 0.00 C ATOM 1940 O SER A 125 -16.867 9.821 9.446 1.00 0.00 O ATOM 1941 CB SER A 125 -13.957 8.974 9.044 1.00 0.00 C ATOM 1942 OG SER A 125 -12.619 9.018 9.524 1.00 0.00 O ATOM 1943 OXT SER A 125 -16.356 10.804 7.547 1.00 0.00 O ATOM 0 H SER A 125 -14.101 10.411 11.118 1.00 0.00 H new ATOM 0 HA SER A 125 -14.032 10.989 8.327 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.555 8.305 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.978 8.575 8.030 1.00 0.00 H new ATOM 0 HG SER A 125 -12.588 8.669 10.439 1.00 0.00 H new TER 1949 SER A 125