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 85 GLN : amide:sc= 0.576 X(o=1.1,f=0.92) USER MOD Set 1.2: A 125 SER OG : rot -95:sc= 0.528 USER MOD Set 2.1: A 107 SER OG : rot 180:sc= 0.436 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.434 K(o=0.87,f=-2.4!) USER MOD Set 3.1: A 21 TYR OH : rot -152:sc= 0.864 USER MOD Set 3.2: A 113 CYS SG : rot 78:sc= 0.695 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0041) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0562 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= 0.965 K(o=0.97,f=-3!) USER MOD Single : A 6 GLN : amide:sc= 1.75 K(o=1.7,f=-3.9!) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1) USER MOD Single : A 23 HIS : no HE2:sc= 0.188 K(o=0.19,f=-1.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0272 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= 0 K(o=0,f=-0.56) 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 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.547 K(o=0.55,f=-3.3!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= 1.24 (180deg=0.466) USER MOD Single : A 72 CYS SG : rot 66:sc= 0.455 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 166:sc= 1.11 USER MOD Single : A 77 ASN : amide:sc= 0.734 K(o=0.73,f=-0.82) USER MOD Single : A 78 ASN : amide:sc= 1.23 K(o=1.2,f=-9.4!) USER MOD Single : A 79 SER OG : rot 180:sc= 0.204 USER MOD Single : A 82 HIS : no HD1:sc= 0.0399 K(o=0.04,f=-0.82) USER MOD Single : A 84 TYR OH : rot -30:sc= 0 USER MOD Single : A 94 SER OG : rot 70:sc= 1.23 USER MOD Single : A 95 SER OG : rot 78:sc= 1.03 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -159:sc=-0.00227 (180deg=-0.228) USER MOD Single : A 102 GLN : amide:sc= 0.00257 K(o=0.0026,f=-1.7!) USER MOD Single : A 103 LYS NZ :NH3+ -127:sc= 0.0104 (180deg=0) USER MOD Single : A 104 MET CE :methyl 179:sc= -0.102 (180deg=-0.103) 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 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 119 GLN : amide:sc= 1.05 K(o=1,f=0) 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 9.706 -9.644 -4.157 1.00 0.00 N ATOM 2 CA MET A 1 9.994 -8.237 -3.745 1.00 0.00 C ATOM 3 C MET A 1 11.326 -8.122 -2.988 1.00 0.00 C ATOM 4 O MET A 1 11.825 -9.109 -2.448 1.00 0.00 O ATOM 5 CB MET A 1 8.825 -7.599 -2.949 1.00 0.00 C ATOM 6 CG MET A 1 8.569 -8.202 -1.554 1.00 0.00 C ATOM 7 SD MET A 1 7.306 -7.353 -0.557 1.00 0.00 S ATOM 8 CE MET A 1 5.794 -7.783 -1.466 1.00 0.00 C ATOM 0 H1 MET A 1 9.842 -9.740 -5.184 1.00 0.00 H new ATOM 0 H2 MET A 1 10.352 -10.290 -3.661 1.00 0.00 H new ATOM 0 H3 MET A 1 8.723 -9.883 -3.914 1.00 0.00 H new ATOM 0 HA MET A 1 10.094 -7.662 -4.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.024 -6.534 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.913 -7.691 -3.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.272 -9.244 -1.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.507 -8.201 -0.999 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.929 -7.362 -0.953 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.849 -7.378 -2.476 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.695 -8.867 -1.515 1.00 0.00 H new ATOM 20 N ALA A 2 11.904 -6.912 -2.922 1.00 0.00 N ATOM 21 CA ALA A 2 13.161 -6.640 -2.205 1.00 0.00 C ATOM 22 C ALA A 2 12.983 -6.533 -0.675 1.00 0.00 C ATOM 23 O ALA A 2 13.901 -6.856 0.080 1.00 0.00 O ATOM 24 CB ALA A 2 13.757 -5.349 -2.783 1.00 0.00 C ATOM 0 H ALA A 2 11.508 -6.086 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 2 13.836 -7.483 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.692 -5.119 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.949 -5.482 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.054 -4.528 -2.641 1.00 0.00 H new ATOM 30 N SER A 3 11.816 -6.084 -0.209 1.00 0.00 N ATOM 31 CA SER A 3 11.498 -5.923 1.221 1.00 0.00 C ATOM 32 C SER A 3 11.393 -7.275 1.974 1.00 0.00 C ATOM 33 O SER A 3 10.976 -8.276 1.373 1.00 0.00 O ATOM 34 CB SER A 3 10.177 -5.146 1.380 1.00 0.00 C ATOM 35 OG SER A 3 10.230 -3.894 0.712 1.00 0.00 O ATOM 0 H SER A 3 11.047 -5.815 -0.823 1.00 0.00 H new ATOM 0 HA SER A 3 12.324 -5.368 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.354 -5.739 0.981 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.971 -4.987 2.439 1.00 0.00 H new ATOM 0 HG SER A 3 9.378 -3.425 0.829 1.00 0.00 H new ATOM 41 N PRO A 4 11.720 -7.324 3.286 1.00 0.00 N ATOM 42 CA PRO A 4 11.646 -8.549 4.088 1.00 0.00 C ATOM 43 C PRO A 4 10.203 -8.956 4.441 1.00 0.00 C ATOM 44 O PRO A 4 9.946 -10.136 4.671 1.00 0.00 O ATOM 45 CB PRO A 4 12.461 -8.249 5.351 1.00 0.00 C ATOM 46 CG PRO A 4 12.315 -6.739 5.523 1.00 0.00 C ATOM 47 CD PRO A 4 12.274 -6.234 4.084 1.00 0.00 C ATOM 0 HA PRO A 4 12.038 -9.398 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.075 -8.790 6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.505 -8.540 5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.407 -6.480 6.068 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.151 -6.313 6.077 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.657 -5.339 4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.272 -5.965 3.737 1.00 0.00 H new ATOM 55 N HIS A 5 9.259 -8.008 4.464 1.00 0.00 N ATOM 56 CA HIS A 5 7.831 -8.212 4.743 1.00 0.00 C ATOM 57 C HIS A 5 6.995 -7.003 4.261 1.00 0.00 C ATOM 58 O HIS A 5 7.552 -5.972 3.865 1.00 0.00 O ATOM 59 CB HIS A 5 7.628 -8.485 6.251 1.00 0.00 C ATOM 60 CG HIS A 5 8.088 -7.370 7.161 1.00 0.00 C ATOM 61 ND1 HIS A 5 7.382 -6.233 7.492 1.00 0.00 N ATOM 62 CD2 HIS A 5 9.282 -7.311 7.834 1.00 0.00 C ATOM 63 CE1 HIS A 5 8.137 -5.504 8.332 1.00 0.00 C ATOM 64 NE2 HIS A 5 9.311 -6.118 8.573 1.00 0.00 N ATOM 0 H HIS A 5 9.480 -7.029 4.280 1.00 0.00 H new ATOM 0 HA HIS A 5 7.480 -9.082 4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.570 -8.672 6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.163 -9.397 6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.450 -5.988 7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 5 10.065 -8.054 7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.842 -4.555 8.756 1.00 0.00 H new ATOM 72 N GLN A 6 5.661 -7.108 4.317 1.00 0.00 N ATOM 73 CA GLN A 6 4.754 -5.976 4.085 1.00 0.00 C ATOM 74 C GLN A 6 4.793 -5.009 5.276 1.00 0.00 C ATOM 75 O GLN A 6 4.831 -5.439 6.430 1.00 0.00 O ATOM 76 CB GLN A 6 3.316 -6.488 3.882 1.00 0.00 C ATOM 77 CG GLN A 6 3.082 -7.096 2.493 1.00 0.00 C ATOM 78 CD GLN A 6 1.728 -7.812 2.413 1.00 0.00 C ATOM 79 OE1 GLN A 6 0.805 -7.376 1.737 1.00 0.00 O ATOM 80 NE2 GLN A 6 1.535 -8.914 3.109 1.00 0.00 N ATOM 0 H GLN A 6 5.179 -7.983 4.525 1.00 0.00 H new ATOM 0 HA GLN A 6 5.079 -5.448 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.093 -7.237 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.619 -5.664 4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.124 -6.310 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.881 -7.801 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.290 -9.296 3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.631 -9.385 3.077 1.00 0.00 H new ATOM 89 N GLU A 7 4.749 -3.705 5.008 1.00 0.00 N ATOM 90 CA GLU A 7 4.780 -2.654 6.030 1.00 0.00 C ATOM 91 C GLU A 7 3.388 -2.004 6.140 1.00 0.00 C ATOM 92 O GLU A 7 2.975 -1.326 5.189 1.00 0.00 O ATOM 93 CB GLU A 7 5.838 -1.607 5.642 1.00 0.00 C ATOM 94 CG GLU A 7 6.002 -0.488 6.682 1.00 0.00 C ATOM 95 CD GLU A 7 6.907 0.619 6.126 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.468 1.329 5.189 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.050 0.781 6.614 1.00 0.00 O ATOM 0 H GLU A 7 4.690 -3.340 4.057 1.00 0.00 H new ATOM 0 HA GLU A 7 5.042 -3.080 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.797 -2.106 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.566 -1.165 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.027 -0.076 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.431 -0.893 7.599 1.00 0.00 H new ATOM 104 N PRO A 8 2.669 -2.162 7.271 1.00 0.00 N ATOM 105 CA PRO A 8 1.449 -1.411 7.528 1.00 0.00 C ATOM 106 C PRO A 8 1.785 0.042 7.870 1.00 0.00 C ATOM 107 O PRO A 8 2.772 0.329 8.550 1.00 0.00 O ATOM 108 CB PRO A 8 0.742 -2.146 8.665 1.00 0.00 C ATOM 109 CG PRO A 8 1.896 -2.764 9.450 1.00 0.00 C ATOM 110 CD PRO A 8 2.950 -3.064 8.384 1.00 0.00 C ATOM 0 HA PRO A 8 0.795 -1.359 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.155 -1.465 9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.058 -2.906 8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.277 -2.078 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.585 -3.670 9.970 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.955 -2.901 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.896 -4.105 8.065 1.00 0.00 H new ATOM 118 N LYS A 9 0.957 0.968 7.384 1.00 0.00 N ATOM 119 CA LYS A 9 1.122 2.408 7.605 1.00 0.00 C ATOM 120 C LYS A 9 0.342 2.858 8.860 1.00 0.00 C ATOM 121 O LYS A 9 -0.757 2.349 9.106 1.00 0.00 O ATOM 122 CB LYS A 9 0.670 3.151 6.332 1.00 0.00 C ATOM 123 CG LYS A 9 1.750 3.263 5.239 1.00 0.00 C ATOM 124 CD LYS A 9 2.468 1.960 4.835 1.00 0.00 C ATOM 125 CE LYS A 9 3.343 2.239 3.604 1.00 0.00 C ATOM 126 NZ LYS A 9 4.322 1.148 3.360 1.00 0.00 N ATOM 0 H LYS A 9 0.141 0.737 6.818 1.00 0.00 H new ATOM 0 HA LYS A 9 2.168 2.648 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.198 2.638 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.345 4.154 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.288 3.687 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.503 3.975 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.081 1.596 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.739 1.181 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.707 2.359 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.875 3.180 3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.687 1.220 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.110 1.232 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.855 0.228 3.487 1.00 0.00 H new ATOM 140 N PRO A 10 0.878 3.795 9.673 1.00 0.00 N ATOM 141 CA PRO A 10 0.249 4.203 10.928 1.00 0.00 C ATOM 142 C PRO A 10 -1.098 4.875 10.651 1.00 0.00 C ATOM 143 O PRO A 10 -1.207 5.761 9.805 1.00 0.00 O ATOM 144 CB PRO A 10 1.266 5.096 11.650 1.00 0.00 C ATOM 145 CG PRO A 10 2.110 5.656 10.505 1.00 0.00 C ATOM 146 CD PRO A 10 2.141 4.502 9.500 1.00 0.00 C ATOM 0 HA PRO A 10 0.007 3.360 11.574 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.776 5.889 12.215 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.871 4.528 12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.663 6.553 10.076 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.112 5.928 10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.246 4.873 8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.988 3.842 9.687 1.00 0.00 H new ATOM 154 N GLY A 11 -2.130 4.393 11.350 1.00 0.00 N ATOM 155 CA GLY A 11 -3.523 4.829 11.221 1.00 0.00 C ATOM 156 C GLY A 11 -4.272 4.239 10.028 1.00 0.00 C ATOM 157 O GLY A 11 -5.450 4.548 9.861 1.00 0.00 O ATOM 0 H GLY A 11 -2.013 3.659 12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.057 4.565 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.543 5.916 11.143 1.00 0.00 H new ATOM 161 N ASP A 12 -3.629 3.435 9.181 1.00 0.00 N ATOM 162 CA ASP A 12 -4.272 2.640 8.125 1.00 0.00 C ATOM 163 C ASP A 12 -4.621 1.229 8.627 1.00 0.00 C ATOM 164 O ASP A 12 -4.127 0.770 9.662 1.00 0.00 O ATOM 165 CB ASP A 12 -3.396 2.600 6.857 1.00 0.00 C ATOM 166 CG ASP A 12 -3.643 3.836 5.982 1.00 0.00 C ATOM 167 OD1 ASP A 12 -4.602 3.797 5.177 1.00 0.00 O ATOM 168 OD2 ASP A 12 -2.937 4.859 6.148 1.00 0.00 O ATOM 0 H ASP A 12 -2.617 3.313 9.208 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.210 3.125 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.344 2.553 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.614 1.697 6.287 1.00 0.00 H new ATOM 173 N LEU A 13 -5.520 0.561 7.894 1.00 0.00 N ATOM 174 CA LEU A 13 -6.120 -0.710 8.294 1.00 0.00 C ATOM 175 C LEU A 13 -5.770 -1.878 7.367 1.00 0.00 C ATOM 176 O LEU A 13 -5.574 -1.739 6.158 1.00 0.00 O ATOM 177 CB LEU A 13 -7.624 -0.530 8.571 1.00 0.00 C ATOM 178 CG LEU A 13 -8.492 -0.001 7.414 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.125 -1.152 6.622 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.577 0.915 7.993 1.00 0.00 C ATOM 0 H LEU A 13 -5.854 0.898 6.991 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.665 -1.012 9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.028 -1.493 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.733 0.151 9.415 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.863 0.560 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.732 -0.746 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.339 -1.783 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.755 -1.746 7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.200 1.297 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.195 0.351 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.108 1.749 8.515 1.00 0.00 H new ATOM 192 N ILE A 14 -5.657 -3.043 7.997 1.00 0.00 N ATOM 193 CA ILE A 14 -5.012 -4.257 7.505 1.00 0.00 C ATOM 194 C ILE A 14 -6.043 -5.390 7.542 1.00 0.00 C ATOM 195 O ILE A 14 -6.674 -5.617 8.575 1.00 0.00 O ATOM 196 CB ILE A 14 -3.797 -4.639 8.402 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.995 -3.452 8.999 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.859 -5.547 7.584 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.992 -3.887 10.076 1.00 0.00 C ATOM 0 H ILE A 14 -6.042 -3.173 8.933 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.650 -4.091 6.490 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.214 -5.146 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.461 -2.942 8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.690 -2.730 9.428 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.000 -5.827 8.194 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.396 -6.445 7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.516 -5.012 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.463 -3.013 10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.524 -4.371 10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.276 -4.586 9.645 1.00 0.00 H new ATOM 211 N GLU A 15 -6.196 -6.103 6.434 1.00 0.00 N ATOM 212 CA GLU A 15 -6.964 -7.337 6.342 1.00 0.00 C ATOM 213 C GLU A 15 -6.067 -8.486 6.829 1.00 0.00 C ATOM 214 O GLU A 15 -4.957 -8.656 6.319 1.00 0.00 O ATOM 215 CB GLU A 15 -7.382 -7.516 4.875 1.00 0.00 C ATOM 216 CG GLU A 15 -8.424 -8.615 4.664 1.00 0.00 C ATOM 217 CD GLU A 15 -8.728 -8.801 3.166 1.00 0.00 C ATOM 218 OE1 GLU A 15 -8.978 -7.795 2.456 1.00 0.00 O ATOM 219 OE2 GLU A 15 -8.713 -9.961 2.688 1.00 0.00 O ATOM 0 H GLU A 15 -5.775 -5.829 5.546 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.863 -7.319 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.781 -6.573 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.498 -7.746 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.061 -9.552 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.340 -8.361 5.197 1.00 0.00 H new ATOM 226 N ILE A 16 -6.517 -9.257 7.825 1.00 0.00 N ATOM 227 CA ILE A 16 -5.742 -10.324 8.482 1.00 0.00 C ATOM 228 C ILE A 16 -6.430 -11.682 8.285 1.00 0.00 C ATOM 229 O ILE A 16 -7.538 -11.910 8.774 1.00 0.00 O ATOM 230 CB ILE A 16 -5.573 -10.048 10.002 1.00 0.00 C ATOM 231 CG1 ILE A 16 -5.115 -8.621 10.390 1.00 0.00 C ATOM 232 CG2 ILE A 16 -4.624 -11.095 10.618 1.00 0.00 C ATOM 233 CD1 ILE A 16 -3.738 -8.201 9.869 1.00 0.00 C ATOM 0 H ILE A 16 -7.456 -9.156 8.210 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.754 -10.344 8.021 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.579 -10.129 10.413 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.855 -7.910 10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.111 -8.544 11.477 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.508 -10.898 11.684 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.041 -12.092 10.476 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.651 -11.036 10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.518 -7.186 10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.979 -8.881 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.735 -8.237 8.780 1.00 0.00 H new ATOM 245 N PHE A 17 -5.742 -12.623 7.644 1.00 0.00 N ATOM 246 CA PHE A 17 -6.145 -14.026 7.554 1.00 0.00 C ATOM 247 C PHE A 17 -5.716 -14.743 8.849 1.00 0.00 C ATOM 248 O PHE A 17 -4.728 -15.480 8.882 1.00 0.00 O ATOM 249 CB PHE A 17 -5.541 -14.625 6.272 1.00 0.00 C ATOM 250 CG PHE A 17 -5.934 -16.063 6.001 1.00 0.00 C ATOM 251 CD1 PHE A 17 -7.272 -16.380 5.692 1.00 0.00 C ATOM 252 CD2 PHE A 17 -4.969 -17.091 6.048 1.00 0.00 C ATOM 253 CE1 PHE A 17 -7.644 -17.712 5.438 1.00 0.00 C ATOM 254 CE2 PHE A 17 -5.342 -18.423 5.793 1.00 0.00 C ATOM 255 CZ PHE A 17 -6.678 -18.734 5.485 1.00 0.00 C ATOM 0 H PHE A 17 -4.866 -12.427 7.160 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.226 -14.146 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.845 -14.013 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.455 -14.565 6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.014 -15.597 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.941 -16.855 6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.672 -17.951 5.207 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.601 -19.208 5.834 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.963 -19.756 5.285 1.00 0.00 H new ATOM 265 N ARG A 18 -6.432 -14.449 9.946 1.00 0.00 N ATOM 266 CA ARG A 18 -6.078 -14.864 11.317 1.00 0.00 C ATOM 267 C ARG A 18 -6.366 -16.346 11.601 1.00 0.00 C ATOM 268 O ARG A 18 -5.748 -16.948 12.479 1.00 0.00 O ATOM 269 CB ARG A 18 -6.796 -13.939 12.326 1.00 0.00 C ATOM 270 CG ARG A 18 -5.937 -13.474 13.516 1.00 0.00 C ATOM 271 CD ARG A 18 -5.546 -14.581 14.507 1.00 0.00 C ATOM 272 NE ARG A 18 -5.050 -14.009 15.774 1.00 0.00 N ATOM 273 CZ ARG A 18 -3.791 -13.744 16.116 1.00 0.00 C ATOM 274 NH1 ARG A 18 -2.778 -13.973 15.310 1.00 0.00 N ATOM 275 NH2 ARG A 18 -3.537 -13.227 17.298 1.00 0.00 N ATOM 0 H ARG A 18 -7.293 -13.904 9.906 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.999 -14.761 11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.158 -13.059 11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.672 -14.460 12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.027 -13.015 13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.481 -12.699 14.056 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.408 -15.218 14.705 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.777 -15.214 14.065 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.759 -13.790 16.474 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.942 -14.368 14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.828 -13.756 15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.302 -13.032 17.944 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.575 -13.021 17.568 1.00 0.00 H new ATOM 289 N LEU A 19 -7.324 -16.919 10.874 1.00 0.00 N ATOM 290 CA LEU A 19 -8.070 -18.136 11.210 1.00 0.00 C ATOM 291 C LEU A 19 -8.724 -18.688 9.923 1.00 0.00 C ATOM 292 O LEU A 19 -8.327 -18.310 8.817 1.00 0.00 O ATOM 293 CB LEU A 19 -9.088 -17.727 12.315 1.00 0.00 C ATOM 294 CG LEU A 19 -8.633 -17.941 13.774 1.00 0.00 C ATOM 295 CD1 LEU A 19 -9.702 -17.380 14.725 1.00 0.00 C ATOM 296 CD2 LEU A 19 -8.397 -19.423 14.107 1.00 0.00 C ATOM 0 H LEU A 19 -7.620 -16.524 9.981 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.447 -18.943 11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.331 -16.673 12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.009 -18.289 12.157 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.684 -17.419 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.385 -17.529 15.757 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.834 -16.315 14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.646 -17.898 14.557 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.079 -19.516 15.145 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.322 -19.981 13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.623 -19.824 13.453 1.00 0.00 H new ATOM 308 N GLY A 20 -9.760 -19.530 10.038 1.00 0.00 N ATOM 309 CA GLY A 20 -10.617 -19.964 8.918 1.00 0.00 C ATOM 310 C GLY A 20 -11.601 -18.870 8.465 1.00 0.00 C ATOM 311 O GLY A 20 -12.732 -19.174 8.089 1.00 0.00 O ATOM 0 H GLY A 20 -10.035 -19.939 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.988 -20.253 8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.177 -20.850 9.217 1.00 0.00 H new ATOM 315 N TYR A 21 -11.173 -17.607 8.542 1.00 0.00 N ATOM 316 CA TYR A 21 -11.944 -16.372 8.373 1.00 0.00 C ATOM 317 C TYR A 21 -11.008 -15.141 8.284 1.00 0.00 C ATOM 318 O TYR A 21 -9.862 -15.189 8.747 1.00 0.00 O ATOM 319 CB TYR A 21 -12.938 -16.233 9.542 1.00 0.00 C ATOM 320 CG TYR A 21 -13.885 -15.055 9.418 1.00 0.00 C ATOM 321 CD1 TYR A 21 -14.751 -14.973 8.311 1.00 0.00 C ATOM 322 CD2 TYR A 21 -13.873 -14.027 10.382 1.00 0.00 C ATOM 323 CE1 TYR A 21 -15.581 -13.848 8.144 1.00 0.00 C ATOM 324 CE2 TYR A 21 -14.713 -12.908 10.232 1.00 0.00 C ATOM 325 CZ TYR A 21 -15.554 -12.809 9.099 1.00 0.00 C ATOM 326 OH TYR A 21 -16.333 -11.711 8.914 1.00 0.00 O ATOM 0 H TYR A 21 -10.193 -17.405 8.741 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.500 -16.421 7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -13.524 -17.149 9.616 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -12.377 -16.137 10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -14.779 -15.775 7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.218 -14.098 11.238 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.236 -13.780 7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -14.716 -12.128 10.979 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.920 -10.939 9.355 1.00 0.00 H new ATOM 336 N GLU A 22 -11.497 -14.035 7.710 1.00 0.00 N ATOM 337 CA GLU A 22 -10.745 -12.790 7.520 1.00 0.00 C ATOM 338 C GLU A 22 -11.180 -11.728 8.543 1.00 0.00 C ATOM 339 O GLU A 22 -12.354 -11.365 8.633 1.00 0.00 O ATOM 340 CB GLU A 22 -10.919 -12.243 6.092 1.00 0.00 C ATOM 341 CG GLU A 22 -10.375 -13.164 4.989 1.00 0.00 C ATOM 342 CD GLU A 22 -11.312 -14.345 4.682 1.00 0.00 C ATOM 343 OE1 GLU A 22 -12.439 -14.117 4.180 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.923 -15.513 4.922 1.00 0.00 O ATOM 0 H GLU A 22 -12.452 -13.981 7.356 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.691 -13.019 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.979 -12.066 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.418 -11.278 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.221 -12.583 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.401 -13.548 5.291 1.00 0.00 H new ATOM 351 N HIS A 23 -10.215 -11.214 9.303 1.00 0.00 N ATOM 352 CA HIS A 23 -10.392 -10.174 10.316 1.00 0.00 C ATOM 353 C HIS A 23 -9.841 -8.817 9.815 1.00 0.00 C ATOM 354 O HIS A 23 -9.086 -8.760 8.840 1.00 0.00 O ATOM 355 CB HIS A 23 -9.642 -10.591 11.601 1.00 0.00 C ATOM 356 CG HIS A 23 -10.140 -11.839 12.298 1.00 0.00 C ATOM 357 ND1 HIS A 23 -10.464 -11.934 13.634 1.00 0.00 N ATOM 358 CD2 HIS A 23 -10.194 -13.110 11.786 1.00 0.00 C ATOM 359 CE1 HIS A 23 -10.701 -13.228 13.911 1.00 0.00 C ATOM 360 NE2 HIS A 23 -10.562 -13.987 12.812 1.00 0.00 N ATOM 0 H HIS A 23 -9.246 -11.524 9.227 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.456 -10.059 10.520 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.591 -10.736 11.351 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.690 -9.763 12.308 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -10.515 -11.159 14.296 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.987 -13.387 10.763 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.968 -13.606 14.887 1.00 0.00 H new ATOM 368 N TRP A 24 -10.157 -7.731 10.531 1.00 0.00 N ATOM 369 CA TRP A 24 -9.547 -6.411 10.323 1.00 0.00 C ATOM 370 C TRP A 24 -8.678 -5.993 11.517 1.00 0.00 C ATOM 371 O TRP A 24 -8.966 -6.345 12.666 1.00 0.00 O ATOM 372 CB TRP A 24 -10.643 -5.363 10.104 1.00 0.00 C ATOM 373 CG TRP A 24 -11.362 -5.417 8.795 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.675 -5.673 8.645 1.00 0.00 C ATOM 375 CD2 TRP A 24 -10.862 -5.117 7.458 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.021 -5.597 7.309 1.00 0.00 N ATOM 377 CE2 TRP A 24 -11.939 -5.246 6.530 1.00 0.00 C ATOM 378 CE3 TRP A 24 -9.614 -4.710 6.941 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -11.779 -5.009 5.157 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -9.442 -4.468 5.567 1.00 0.00 C ATOM 381 CH2 TRP A 24 -10.518 -4.620 4.674 1.00 0.00 C ATOM 0 H TRP A 24 -10.850 -7.744 11.279 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.907 -6.476 9.443 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.378 -5.466 10.902 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.196 -4.374 10.208 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.357 -5.904 9.450 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.957 -5.777 6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.777 -4.582 7.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.613 -5.124 4.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.476 -4.163 5.194 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.375 -4.438 3.619 1.00 0.00 H new ATOM 392 N ALA A 25 -7.658 -5.171 11.257 1.00 0.00 N ATOM 393 CA ALA A 25 -6.855 -4.501 12.281 1.00 0.00 C ATOM 394 C ALA A 25 -6.408 -3.088 11.860 1.00 0.00 C ATOM 395 O ALA A 25 -6.327 -2.796 10.673 1.00 0.00 O ATOM 396 CB ALA A 25 -5.654 -5.398 12.620 1.00 0.00 C ATOM 0 H ALA A 25 -7.361 -4.948 10.307 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.472 -4.354 13.168 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.043 -4.915 13.382 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.011 -6.357 12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.055 -5.559 11.723 1.00 0.00 H new ATOM 402 N LEU A 26 -6.103 -2.224 12.831 1.00 0.00 N ATOM 403 CA LEU A 26 -5.695 -0.821 12.665 1.00 0.00 C ATOM 404 C LEU A 26 -4.337 -0.619 13.346 1.00 0.00 C ATOM 405 O LEU A 26 -4.223 -0.841 14.549 1.00 0.00 O ATOM 406 CB LEU A 26 -6.793 0.046 13.328 1.00 0.00 C ATOM 407 CG LEU A 26 -6.850 1.559 13.015 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.551 2.322 13.287 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.305 1.815 11.573 1.00 0.00 C ATOM 0 H LEU A 26 -6.135 -2.498 13.813 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.588 -0.542 11.617 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.758 -0.382 13.056 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.689 -0.062 14.408 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.587 1.951 13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.688 3.374 13.038 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.289 2.230 14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.750 1.906 12.676 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.334 2.888 11.386 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.605 1.345 10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.299 1.394 11.425 1.00 0.00 H new ATOM 421 N TYR A 27 -3.317 -0.191 12.602 1.00 0.00 N ATOM 422 CA TYR A 27 -1.953 0.018 13.110 1.00 0.00 C ATOM 423 C TYR A 27 -1.836 1.325 13.921 1.00 0.00 C ATOM 424 O TYR A 27 -1.607 2.401 13.367 1.00 0.00 O ATOM 425 CB TYR A 27 -1.001 -0.053 11.903 1.00 0.00 C ATOM 426 CG TYR A 27 0.476 -0.239 12.203 1.00 0.00 C ATOM 427 CD1 TYR A 27 0.926 -1.353 12.936 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.420 0.640 11.645 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.304 -1.587 13.103 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.798 0.419 11.803 1.00 0.00 C ATOM 431 CZ TYR A 27 3.247 -0.710 12.520 1.00 0.00 C ATOM 432 OH TYR A 27 4.579 -0.968 12.626 1.00 0.00 O ATOM 0 H TYR A 27 -3.413 0.025 11.610 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.678 -0.759 13.823 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.324 -0.875 11.264 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.117 0.864 11.325 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.210 -2.033 13.373 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.080 1.499 11.086 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.641 -2.437 13.677 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.511 1.110 11.378 1.00 0.00 H new ATOM 0 HH TYR A 27 5.086 -0.265 12.168 1.00 0.00 H new ATOM 442 N ILE A 28 -2.024 1.252 15.244 1.00 0.00 N ATOM 443 CA ILE A 28 -2.037 2.432 16.140 1.00 0.00 C ATOM 444 C ILE A 28 -0.651 2.948 16.549 1.00 0.00 C ATOM 445 O ILE A 28 -0.532 4.109 16.941 1.00 0.00 O ATOM 446 CB ILE A 28 -2.875 2.183 17.415 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.457 0.911 18.189 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.364 2.164 17.050 1.00 0.00 C ATOM 449 CD1 ILE A 28 -2.910 0.926 19.655 1.00 0.00 C ATOM 0 H ILE A 28 -2.173 0.370 15.734 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.500 3.209 15.531 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.681 3.006 18.102 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.878 0.036 17.693 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.372 0.809 18.150 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.957 1.988 17.948 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.644 3.122 16.612 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.552 1.368 16.330 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.587 0.007 20.145 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.468 1.783 20.164 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.997 0.998 19.699 1.00 0.00 H new ATOM 461 N GLY A 29 0.385 2.110 16.476 1.00 0.00 N ATOM 462 CA GLY A 29 1.759 2.468 16.830 1.00 0.00 C ATOM 463 C GLY A 29 2.754 1.622 16.059 1.00 0.00 C ATOM 464 O GLY A 29 2.361 0.678 15.375 1.00 0.00 O ATOM 0 H GLY A 29 0.290 1.144 16.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.931 3.523 16.617 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.911 2.330 17.901 1.00 0.00 H new ATOM 468 N ASP A 30 4.040 1.939 16.186 1.00 0.00 N ATOM 469 CA ASP A 30 5.109 1.181 15.543 1.00 0.00 C ATOM 470 C ASP A 30 5.221 -0.220 16.186 1.00 0.00 C ATOM 471 O ASP A 30 5.922 -0.422 17.182 1.00 0.00 O ATOM 472 CB ASP A 30 6.436 1.952 15.625 1.00 0.00 C ATOM 473 CG ASP A 30 6.426 3.227 14.773 1.00 0.00 C ATOM 474 OD1 ASP A 30 6.530 3.117 13.528 1.00 0.00 O ATOM 475 OD2 ASP A 30 6.331 4.336 15.353 1.00 0.00 O ATOM 0 H ASP A 30 4.370 2.730 16.739 1.00 0.00 H new ATOM 0 HA ASP A 30 4.873 1.048 14.487 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.637 2.214 16.664 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.250 1.305 15.296 1.00 0.00 H new ATOM 480 N GLY A 31 4.486 -1.180 15.617 1.00 0.00 N ATOM 481 CA GLY A 31 4.382 -2.571 16.066 1.00 0.00 C ATOM 482 C GLY A 31 3.125 -2.914 16.869 1.00 0.00 C ATOM 483 O GLY A 31 3.038 -4.033 17.367 1.00 0.00 O ATOM 0 H GLY A 31 3.919 -0.998 14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.421 -3.220 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.255 -2.804 16.675 1.00 0.00 H new ATOM 487 N TYR A 32 2.142 -2.014 16.978 1.00 0.00 N ATOM 488 CA TYR A 32 0.927 -2.208 17.790 1.00 0.00 C ATOM 489 C TYR A 32 -0.367 -1.999 16.991 1.00 0.00 C ATOM 490 O TYR A 32 -0.457 -1.089 16.167 1.00 0.00 O ATOM 491 CB TYR A 32 0.975 -1.276 19.007 1.00 0.00 C ATOM 492 CG TYR A 32 2.039 -1.669 20.015 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.769 -2.682 20.956 1.00 0.00 C ATOM 494 CD2 TYR A 32 3.305 -1.055 19.992 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.759 -3.073 21.881 1.00 0.00 C ATOM 496 CE2 TYR A 32 4.300 -1.441 20.910 1.00 0.00 C ATOM 497 CZ TYR A 32 4.029 -2.450 21.860 1.00 0.00 C ATOM 498 OH TYR A 32 4.993 -2.821 22.746 1.00 0.00 O ATOM 0 H TYR A 32 2.165 -1.114 16.498 1.00 0.00 H new ATOM 0 HA TYR A 32 0.912 -3.247 18.120 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.161 -0.256 18.669 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.001 -1.277 19.496 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.801 -3.161 20.969 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.514 -0.283 19.266 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.548 -3.847 22.604 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.270 -0.966 20.888 1.00 0.00 H new ATOM 0 HH TYR A 32 5.803 -2.291 22.589 1.00 0.00 H new ATOM 508 N VAL A 33 -1.379 -2.835 17.247 1.00 0.00 N ATOM 509 CA VAL A 33 -2.633 -2.882 16.474 1.00 0.00 C ATOM 510 C VAL A 33 -3.880 -3.009 17.353 1.00 0.00 C ATOM 511 O VAL A 33 -3.853 -3.608 18.425 1.00 0.00 O ATOM 512 CB VAL A 33 -2.655 -4.037 15.437 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.697 -3.805 14.267 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.336 -5.415 16.037 1.00 0.00 C ATOM 0 H VAL A 33 -1.353 -3.511 18.010 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.660 -1.924 15.955 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.685 -4.036 15.080 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.757 -4.646 13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.973 -2.887 13.747 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.678 -3.717 14.643 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.370 -6.170 15.252 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.340 -5.397 16.480 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.071 -5.656 16.805 1.00 0.00 H new ATOM 524 N ILE A 34 -4.987 -2.453 16.863 1.00 0.00 N ATOM 525 CA ILE A 34 -6.350 -2.641 17.395 1.00 0.00 C ATOM 526 C ILE A 34 -7.062 -3.570 16.411 1.00 0.00 C ATOM 527 O ILE A 34 -6.980 -3.339 15.212 1.00 0.00 O ATOM 528 CB ILE A 34 -7.078 -1.282 17.509 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.381 -0.331 18.502 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.567 -1.446 17.870 1.00 0.00 C ATOM 531 CD1 ILE A 34 -6.426 -0.752 19.975 1.00 0.00 C ATOM 0 H ILE A 34 -4.966 -1.834 16.053 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.336 -3.071 18.397 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.025 -0.829 16.519 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.337 -0.228 18.205 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.837 0.655 18.412 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.035 -0.464 17.939 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.066 -2.033 17.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.655 -1.958 18.829 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.906 -0.011 20.581 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.464 -0.824 20.301 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.941 -1.721 20.091 1.00 0.00 H new ATOM 543 N HIS A 35 -7.735 -4.621 16.862 1.00 0.00 N ATOM 544 CA HIS A 35 -8.317 -5.643 15.984 1.00 0.00 C ATOM 545 C HIS A 35 -9.621 -6.221 16.556 1.00 0.00 C ATOM 546 O HIS A 35 -9.899 -6.075 17.746 1.00 0.00 O ATOM 547 CB HIS A 35 -7.268 -6.742 15.728 1.00 0.00 C ATOM 548 CG HIS A 35 -6.975 -7.605 16.933 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.497 -8.855 17.189 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.174 -7.279 17.995 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.023 -9.268 18.377 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.211 -8.337 18.912 1.00 0.00 N ATOM 0 H HIS A 35 -7.897 -4.795 17.854 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.587 -5.179 15.035 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.615 -7.378 14.914 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.341 -6.275 15.395 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.132 -9.375 16.583 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.611 -6.364 18.106 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.261 -10.215 18.838 1.00 0.00 H new ATOM 560 N LEU A 36 -10.420 -6.884 15.711 1.00 0.00 N ATOM 561 CA LEU A 36 -11.724 -7.432 16.098 1.00 0.00 C ATOM 562 C LEU A 36 -11.672 -8.938 16.374 1.00 0.00 C ATOM 563 O LEU A 36 -11.141 -9.717 15.579 1.00 0.00 O ATOM 564 CB LEU A 36 -12.723 -7.118 14.967 1.00 0.00 C ATOM 565 CG LEU A 36 -14.186 -7.530 15.238 1.00 0.00 C ATOM 566 CD1 LEU A 36 -14.831 -6.672 16.334 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.984 -7.397 13.939 1.00 0.00 C ATOM 0 H LEU A 36 -10.178 -7.056 14.735 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.039 -6.968 17.033 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.696 -6.046 14.770 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.386 -7.618 14.059 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.192 -8.562 15.588 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.860 -6.996 16.492 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.269 -6.783 17.261 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.823 -5.626 16.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.020 -7.685 14.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.949 -6.363 13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.552 -8.047 13.178 1.00 0.00 H new ATOM 579 N ALA A 37 -12.291 -9.338 17.483 1.00 0.00 N ATOM 580 CA ALA A 37 -12.588 -10.718 17.855 1.00 0.00 C ATOM 581 C ALA A 37 -14.087 -10.949 17.508 1.00 0.00 C ATOM 582 O ALA A 37 -14.935 -10.327 18.159 1.00 0.00 O ATOM 583 CB ALA A 37 -12.264 -10.885 19.347 1.00 0.00 C ATOM 0 H ALA A 37 -12.616 -8.671 18.183 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.995 -11.461 17.322 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.477 -11.909 19.653 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.210 -10.667 19.517 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.875 -10.197 19.931 1.00 0.00 H new ATOM 589 N PRO A 38 -14.432 -11.735 16.460 1.00 0.00 N ATOM 590 CA PRO A 38 -15.794 -11.847 15.920 1.00 0.00 C ATOM 591 C PRO A 38 -16.835 -12.419 16.903 1.00 0.00 C ATOM 592 O PRO A 38 -16.458 -13.107 17.854 1.00 0.00 O ATOM 593 CB PRO A 38 -15.678 -12.752 14.680 1.00 0.00 C ATOM 594 CG PRO A 38 -14.236 -12.571 14.231 1.00 0.00 C ATOM 595 CD PRO A 38 -13.504 -12.406 15.559 1.00 0.00 C ATOM 0 HA PRO A 38 -16.165 -10.847 15.694 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.894 -13.793 14.923 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.380 -12.455 13.901 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.873 -13.432 13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.116 -11.699 13.589 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.205 -13.374 15.960 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.594 -11.819 15.431 1.00 0.00 H new ATOM 603 N PRO A 39 -18.148 -12.223 16.640 1.00 0.00 N ATOM 604 CA PRO A 39 -19.254 -12.791 17.423 1.00 0.00 C ATOM 605 C PRO A 39 -19.484 -14.298 17.170 1.00 0.00 C ATOM 606 O PRO A 39 -20.552 -14.820 17.483 1.00 0.00 O ATOM 607 CB PRO A 39 -20.474 -11.934 17.052 1.00 0.00 C ATOM 608 CG PRO A 39 -20.202 -11.558 15.599 1.00 0.00 C ATOM 609 CD PRO A 39 -18.683 -11.385 15.572 1.00 0.00 C ATOM 0 HA PRO A 39 -19.038 -12.756 18.491 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -21.405 -12.491 17.157 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.556 -11.053 17.688 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.533 -12.336 14.911 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.719 -10.641 15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.276 -11.683 14.606 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.409 -10.341 15.725 1.00 0.00 H new ATOM 617 N SER A 40 -18.500 -15.010 16.615 1.00 0.00 N ATOM 618 CA SER A 40 -18.548 -16.455 16.344 1.00 0.00 C ATOM 619 C SER A 40 -17.197 -17.119 16.658 1.00 0.00 C ATOM 620 O SER A 40 -16.135 -16.547 16.389 1.00 0.00 O ATOM 621 CB SER A 40 -18.896 -16.727 14.869 1.00 0.00 C ATOM 622 OG SER A 40 -20.237 -16.370 14.562 1.00 0.00 O ATOM 0 H SER A 40 -17.617 -14.585 16.331 1.00 0.00 H new ATOM 0 HA SER A 40 -19.321 -16.877 16.986 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.216 -16.167 14.227 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.743 -17.784 14.650 1.00 0.00 H new ATOM 0 HG SER A 40 -20.417 -16.556 13.617 1.00 0.00 H new ATOM 628 N GLU A 41 -17.238 -18.340 17.199 1.00 0.00 N ATOM 629 CA GLU A 41 -16.073 -19.199 17.434 1.00 0.00 C ATOM 630 C GLU A 41 -15.644 -19.943 16.153 1.00 0.00 C ATOM 631 O GLU A 41 -16.390 -20.035 15.174 1.00 0.00 O ATOM 632 CB GLU A 41 -16.382 -20.217 18.548 1.00 0.00 C ATOM 633 CG GLU A 41 -16.769 -19.552 19.874 1.00 0.00 C ATOM 634 CD GLU A 41 -16.851 -20.581 21.009 1.00 0.00 C ATOM 635 OE1 GLU A 41 -15.801 -20.885 21.625 1.00 0.00 O ATOM 636 OE2 GLU A 41 -17.963 -21.081 21.300 1.00 0.00 O ATOM 0 H GLU A 41 -18.113 -18.773 17.496 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.248 -18.557 17.742 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.194 -20.868 18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.509 -20.851 18.706 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -16.036 -18.786 20.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -17.730 -19.050 19.765 1.00 0.00 H new ATOM 643 N TYR A 42 -14.442 -20.526 16.160 1.00 0.00 N ATOM 644 CA TYR A 42 -13.992 -21.443 15.104 1.00 0.00 C ATOM 645 C TYR A 42 -14.868 -22.727 15.077 1.00 0.00 C ATOM 646 O TYR A 42 -15.145 -23.280 16.152 1.00 0.00 O ATOM 647 CB TYR A 42 -12.507 -21.761 15.336 1.00 0.00 C ATOM 648 CG TYR A 42 -11.868 -22.605 14.251 1.00 0.00 C ATOM 649 CD1 TYR A 42 -11.419 -21.999 13.061 1.00 0.00 C ATOM 650 CD2 TYR A 42 -11.734 -23.997 14.423 1.00 0.00 C ATOM 651 CE1 TYR A 42 -10.842 -22.780 12.040 1.00 0.00 C ATOM 652 CE2 TYR A 42 -11.161 -24.783 13.407 1.00 0.00 C ATOM 653 CZ TYR A 42 -10.715 -24.179 12.211 1.00 0.00 C ATOM 654 OH TYR A 42 -10.165 -24.947 11.230 1.00 0.00 O ATOM 0 H TYR A 42 -13.752 -20.377 16.897 1.00 0.00 H new ATOM 0 HA TYR A 42 -14.103 -20.974 14.126 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.957 -20.824 15.421 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.404 -22.279 16.290 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.517 -20.931 12.931 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.072 -24.462 15.337 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -10.498 -22.312 11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.062 -25.850 13.542 1.00 0.00 H new ATOM 0 HH TYR A 42 -10.155 -25.884 11.515 1.00 0.00 H new ATOM 664 N PRO A 43 -15.316 -23.213 13.897 1.00 0.00 N ATOM 665 CA PRO A 43 -16.222 -24.358 13.789 1.00 0.00 C ATOM 666 C PRO A 43 -15.552 -25.656 14.251 1.00 0.00 C ATOM 667 O PRO A 43 -14.364 -25.876 14.010 1.00 0.00 O ATOM 668 CB PRO A 43 -16.645 -24.428 12.316 1.00 0.00 C ATOM 669 CG PRO A 43 -15.492 -23.749 11.582 1.00 0.00 C ATOM 670 CD PRO A 43 -15.043 -22.673 12.572 1.00 0.00 C ATOM 0 HA PRO A 43 -17.089 -24.235 14.438 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -16.780 -25.458 11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.590 -23.912 12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.689 -24.450 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.815 -23.317 10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.983 -22.449 12.452 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -15.586 -21.742 12.410 1.00 0.00 H new ATOM 678 N GLY A 44 -16.326 -26.521 14.919 1.00 0.00 N ATOM 679 CA GLY A 44 -15.827 -27.760 15.522 1.00 0.00 C ATOM 680 C GLY A 44 -15.105 -27.487 16.841 1.00 0.00 C ATOM 681 O GLY A 44 -13.888 -27.661 16.931 1.00 0.00 O ATOM 0 H GLY A 44 -17.326 -26.377 15.056 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.659 -28.443 15.695 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.147 -28.256 14.829 1.00 0.00 H new ATOM 685 N ALA A 45 -15.857 -27.053 17.860 1.00 0.00 N ATOM 686 CA ALA A 45 -15.338 -26.621 19.164 1.00 0.00 C ATOM 687 C ALA A 45 -14.567 -27.709 19.949 1.00 0.00 C ATOM 688 O ALA A 45 -13.739 -27.375 20.800 1.00 0.00 O ATOM 689 CB ALA A 45 -16.518 -26.063 19.974 1.00 0.00 C ATOM 0 H ALA A 45 -16.873 -26.991 17.798 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.584 -25.854 18.987 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.165 -25.733 20.951 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.957 -25.219 19.442 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.270 -26.841 20.104 1.00 0.00 H new ATOM 695 N GLY A 46 -14.816 -28.995 19.664 1.00 0.00 N ATOM 696 CA GLY A 46 -14.020 -30.133 20.160 1.00 0.00 C ATOM 697 C GLY A 46 -14.371 -30.650 21.560 1.00 0.00 C ATOM 698 O GLY A 46 -13.748 -31.610 22.014 1.00 0.00 O ATOM 0 H GLY A 46 -15.593 -29.282 19.069 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.126 -30.957 19.455 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.969 -29.843 20.156 1.00 0.00 H new ATOM 702 N SER A 47 -15.345 -30.058 22.250 1.00 0.00 N ATOM 703 CA SER A 47 -15.757 -30.468 23.605 1.00 0.00 C ATOM 704 C SER A 47 -16.866 -31.535 23.565 1.00 0.00 C ATOM 705 O SER A 47 -17.801 -31.450 22.767 1.00 0.00 O ATOM 706 CB SER A 47 -16.251 -29.247 24.401 1.00 0.00 C ATOM 707 OG SER A 47 -15.221 -28.275 24.552 1.00 0.00 O ATOM 0 H SER A 47 -15.881 -29.270 21.885 1.00 0.00 H new ATOM 0 HA SER A 47 -14.885 -30.901 24.095 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.104 -28.799 23.891 1.00 0.00 H new ATOM 0 HB3 SER A 47 -16.598 -29.567 25.383 1.00 0.00 H new ATOM 0 HG SER A 47 -15.565 -27.511 25.060 1.00 0.00 H new ATOM 713 N SER A 48 -16.844 -32.513 24.476 1.00 0.00 N ATOM 714 CA SER A 48 -17.877 -33.569 24.556 1.00 0.00 C ATOM 715 C SER A 48 -19.295 -33.015 24.817 1.00 0.00 C ATOM 716 O SER A 48 -20.293 -33.644 24.460 1.00 0.00 O ATOM 717 CB SER A 48 -17.489 -34.580 25.644 1.00 0.00 C ATOM 718 OG SER A 48 -17.253 -33.944 26.897 1.00 0.00 O ATOM 0 H SER A 48 -16.113 -32.601 25.182 1.00 0.00 H new ATOM 0 HA SER A 48 -17.916 -34.058 23.583 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.284 -35.318 25.755 1.00 0.00 H new ATOM 0 HB3 SER A 48 -16.594 -35.120 25.336 1.00 0.00 H new ATOM 0 HG SER A 48 -17.010 -34.618 27.565 1.00 0.00 H new ATOM 724 N SER A 49 -19.395 -31.809 25.384 1.00 0.00 N ATOM 725 CA SER A 49 -20.640 -31.062 25.600 1.00 0.00 C ATOM 726 C SER A 49 -21.087 -30.192 24.404 1.00 0.00 C ATOM 727 O SER A 49 -22.236 -29.742 24.398 1.00 0.00 O ATOM 728 CB SER A 49 -20.455 -30.173 26.842 1.00 0.00 C ATOM 729 OG SER A 49 -19.297 -29.352 26.724 1.00 0.00 O ATOM 0 H SER A 49 -18.575 -31.304 25.720 1.00 0.00 H new ATOM 0 HA SER A 49 -21.432 -31.799 25.733 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.336 -29.545 26.977 1.00 0.00 H new ATOM 0 HB3 SER A 49 -20.370 -30.799 27.730 1.00 0.00 H new ATOM 0 HG SER A 49 -19.206 -28.797 27.527 1.00 0.00 H new ATOM 735 N VAL A 50 -20.232 -29.944 23.393 1.00 0.00 N ATOM 736 CA VAL A 50 -20.481 -28.984 22.290 1.00 0.00 C ATOM 737 C VAL A 50 -19.406 -29.043 21.191 1.00 0.00 C ATOM 738 O VAL A 50 -18.212 -28.932 21.462 1.00 0.00 O ATOM 739 CB VAL A 50 -20.677 -27.521 22.791 1.00 0.00 C ATOM 740 CG1 VAL A 50 -19.474 -26.944 23.559 1.00 0.00 C ATOM 741 CG2 VAL A 50 -21.044 -26.578 21.635 1.00 0.00 C ATOM 0 H VAL A 50 -19.329 -30.413 23.315 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.422 -29.305 21.844 1.00 0.00 H new ATOM 0 HB VAL A 50 -21.502 -27.583 23.501 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -19.697 -25.923 23.870 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -19.276 -27.557 24.439 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -18.596 -26.943 22.913 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -21.174 -25.566 22.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.246 -26.585 20.892 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.973 -26.913 21.173 1.00 0.00 H new ATOM 751 N PHE A 51 -19.859 -29.169 19.936 1.00 0.00 N ATOM 752 CA PHE A 51 -18.996 -29.219 18.750 1.00 0.00 C ATOM 753 C PHE A 51 -19.459 -28.267 17.637 1.00 0.00 C ATOM 754 O PHE A 51 -18.702 -27.397 17.211 1.00 0.00 O ATOM 755 CB PHE A 51 -18.908 -30.680 18.271 1.00 0.00 C ATOM 756 CG PHE A 51 -17.908 -30.900 17.152 1.00 0.00 C ATOM 757 CD1 PHE A 51 -16.568 -31.196 17.463 1.00 0.00 C ATOM 758 CD2 PHE A 51 -18.308 -30.802 15.805 1.00 0.00 C ATOM 759 CE1 PHE A 51 -15.626 -31.377 16.433 1.00 0.00 C ATOM 760 CE2 PHE A 51 -17.367 -30.986 14.776 1.00 0.00 C ATOM 761 CZ PHE A 51 -16.025 -31.269 15.089 1.00 0.00 C ATOM 0 H PHE A 51 -20.852 -29.240 19.714 1.00 0.00 H new ATOM 0 HA PHE A 51 -18.001 -28.867 19.022 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -18.638 -31.314 19.116 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -19.893 -31.001 17.933 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -16.262 -31.285 18.495 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -19.338 -30.585 15.562 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -14.597 -31.599 16.675 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -17.675 -30.910 13.744 1.00 0.00 H new ATOM 0 HZ PHE A 51 -15.302 -31.403 14.298 1.00 0.00 H new ATOM 771 N SER A 52 -20.700 -28.420 17.171 1.00 0.00 N ATOM 772 CA SER A 52 -21.210 -27.705 15.984 1.00 0.00 C ATOM 773 C SER A 52 -21.646 -26.253 16.281 1.00 0.00 C ATOM 774 O SER A 52 -21.547 -25.382 15.411 1.00 0.00 O ATOM 775 CB SER A 52 -22.374 -28.514 15.385 1.00 0.00 C ATOM 776 OG SER A 52 -22.737 -28.051 14.092 1.00 0.00 O ATOM 0 H SER A 52 -21.385 -29.041 17.601 1.00 0.00 H new ATOM 0 HA SER A 52 -20.392 -27.622 15.268 1.00 0.00 H new ATOM 0 HB2 SER A 52 -22.092 -29.565 15.327 1.00 0.00 H new ATOM 0 HB3 SER A 52 -23.237 -28.451 16.048 1.00 0.00 H new ATOM 0 HG SER A 52 -23.478 -28.592 13.747 1.00 0.00 H new ATOM 782 N VAL A 53 -22.096 -25.966 17.513 1.00 0.00 N ATOM 783 CA VAL A 53 -22.526 -24.614 17.937 1.00 0.00 C ATOM 784 C VAL A 53 -21.300 -23.720 18.160 1.00 0.00 C ATOM 785 O VAL A 53 -20.349 -24.117 18.837 1.00 0.00 O ATOM 786 CB VAL A 53 -23.429 -24.641 19.197 1.00 0.00 C ATOM 787 CG1 VAL A 53 -23.832 -23.226 19.655 1.00 0.00 C ATOM 788 CG2 VAL A 53 -24.709 -25.456 18.941 1.00 0.00 C ATOM 0 H VAL A 53 -22.174 -26.666 18.251 1.00 0.00 H new ATOM 0 HA VAL A 53 -23.133 -24.198 17.133 1.00 0.00 H new ATOM 0 HB VAL A 53 -22.839 -25.110 19.984 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -24.464 -23.296 20.540 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -22.937 -22.652 19.893 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -24.381 -22.728 18.856 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.324 -25.459 19.841 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -25.268 -25.007 18.120 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.442 -26.480 18.681 1.00 0.00 H new ATOM 798 N LEU A 54 -21.351 -22.504 17.599 1.00 0.00 N ATOM 799 CA LEU A 54 -20.249 -21.529 17.597 1.00 0.00 C ATOM 800 C LEU A 54 -20.672 -20.084 17.939 1.00 0.00 C ATOM 801 O LEU A 54 -19.868 -19.162 17.806 1.00 0.00 O ATOM 802 CB LEU A 54 -19.487 -21.643 16.255 1.00 0.00 C ATOM 803 CG LEU A 54 -20.311 -21.572 14.948 1.00 0.00 C ATOM 804 CD1 LEU A 54 -21.110 -20.270 14.784 1.00 0.00 C ATOM 805 CD2 LEU A 54 -19.366 -21.732 13.748 1.00 0.00 C ATOM 0 H LEU A 54 -22.184 -22.161 17.120 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.575 -21.782 18.415 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.742 -20.848 16.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.944 -22.588 16.258 1.00 0.00 H new ATOM 0 HG LEU A 54 -21.040 -22.381 14.998 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -21.661 -20.297 13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -21.811 -20.166 15.612 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -20.426 -19.421 14.779 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -19.941 -21.683 12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -18.626 -20.932 13.758 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.859 -22.695 13.810 1.00 0.00 H new ATOM 817 N SER A 55 -21.917 -19.853 18.355 1.00 0.00 N ATOM 818 CA SER A 55 -22.451 -18.511 18.647 1.00 0.00 C ATOM 819 C SER A 55 -21.762 -17.849 19.858 1.00 0.00 C ATOM 820 O SER A 55 -21.508 -18.498 20.878 1.00 0.00 O ATOM 821 CB SER A 55 -23.968 -18.586 18.893 1.00 0.00 C ATOM 822 OG SER A 55 -24.639 -19.221 17.810 1.00 0.00 O ATOM 0 H SER A 55 -22.597 -20.599 18.503 1.00 0.00 H new ATOM 0 HA SER A 55 -22.244 -17.891 17.774 1.00 0.00 H new ATOM 0 HB2 SER A 55 -24.162 -19.134 19.815 1.00 0.00 H new ATOM 0 HB3 SER A 55 -24.366 -17.581 19.030 1.00 0.00 H new ATOM 0 HG SER A 55 -25.601 -19.255 17.996 1.00 0.00 H new ATOM 828 N ASN A 56 -21.478 -16.541 19.767 1.00 0.00 N ATOM 829 CA ASN A 56 -20.718 -15.786 20.772 1.00 0.00 C ATOM 830 C ASN A 56 -21.002 -14.262 20.703 1.00 0.00 C ATOM 831 O ASN A 56 -22.001 -13.839 20.118 1.00 0.00 O ATOM 832 CB ASN A 56 -19.220 -16.138 20.615 1.00 0.00 C ATOM 833 CG ASN A 56 -18.496 -16.112 21.955 1.00 0.00 C ATOM 834 OD1 ASN A 56 -18.047 -15.071 22.418 1.00 0.00 O ATOM 835 ND2 ASN A 56 -18.404 -17.243 22.633 1.00 0.00 N ATOM 0 H ASN A 56 -21.776 -15.968 18.977 1.00 0.00 H new ATOM 0 HA ASN A 56 -21.041 -16.076 21.772 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -19.123 -17.127 20.167 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -18.749 -15.431 19.932 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.956 -17.253 23.549 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.781 -18.105 22.240 1.00 0.00 H new ATOM 842 N SER A 57 -20.147 -13.424 21.294 1.00 0.00 N ATOM 843 CA SER A 57 -20.240 -11.951 21.274 1.00 0.00 C ATOM 844 C SER A 57 -18.935 -11.329 20.735 1.00 0.00 C ATOM 845 O SER A 57 -17.852 -11.875 20.969 1.00 0.00 O ATOM 846 CB SER A 57 -20.485 -11.405 22.689 1.00 0.00 C ATOM 847 OG SER A 57 -21.636 -11.983 23.291 1.00 0.00 O ATOM 0 H SER A 57 -19.340 -13.758 21.820 1.00 0.00 H new ATOM 0 HA SER A 57 -21.073 -11.685 20.623 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.612 -11.604 23.311 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.604 -10.322 22.644 1.00 0.00 H new ATOM 0 HG SER A 57 -21.757 -11.611 24.190 1.00 0.00 H new ATOM 853 N ALA A 58 -19.011 -10.197 20.021 1.00 0.00 N ATOM 854 CA ALA A 58 -17.822 -9.553 19.453 1.00 0.00 C ATOM 855 C ALA A 58 -17.107 -8.658 20.479 1.00 0.00 C ATOM 856 O ALA A 58 -17.765 -8.038 21.318 1.00 0.00 O ATOM 857 CB ALA A 58 -18.225 -8.732 18.223 1.00 0.00 C ATOM 0 H ALA A 58 -19.885 -9.709 19.824 1.00 0.00 H new ATOM 0 HA ALA A 58 -17.120 -10.335 19.163 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.342 -8.253 17.800 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.673 -9.389 17.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -18.947 -7.969 18.515 1.00 0.00 H new ATOM 863 N GLU A 59 -15.787 -8.515 20.353 1.00 0.00 N ATOM 864 CA GLU A 59 -14.972 -7.614 21.175 1.00 0.00 C ATOM 865 C GLU A 59 -13.845 -6.981 20.344 1.00 0.00 C ATOM 866 O GLU A 59 -13.177 -7.669 19.576 1.00 0.00 O ATOM 867 CB GLU A 59 -14.397 -8.370 22.393 1.00 0.00 C ATOM 868 CG GLU A 59 -13.729 -7.424 23.399 1.00 0.00 C ATOM 869 CD GLU A 59 -13.319 -8.153 24.689 1.00 0.00 C ATOM 870 OE1 GLU A 59 -12.461 -9.065 24.632 1.00 0.00 O ATOM 871 OE2 GLU A 59 -13.836 -7.792 25.774 1.00 0.00 O ATOM 0 H GLU A 59 -15.242 -9.032 19.663 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.612 -6.810 21.538 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.198 -8.919 22.889 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.670 -9.107 22.051 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.849 -6.972 22.942 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.414 -6.612 23.643 1.00 0.00 H new ATOM 878 N VAL A 60 -13.613 -5.678 20.515 1.00 0.00 N ATOM 879 CA VAL A 60 -12.449 -4.957 19.972 1.00 0.00 C ATOM 880 C VAL A 60 -11.300 -5.038 20.984 1.00 0.00 C ATOM 881 O VAL A 60 -11.478 -4.713 22.157 1.00 0.00 O ATOM 882 CB VAL A 60 -12.789 -3.491 19.653 1.00 0.00 C ATOM 883 CG1 VAL A 60 -11.552 -2.744 19.120 1.00 0.00 C ATOM 884 CG2 VAL A 60 -13.921 -3.402 18.618 1.00 0.00 C ATOM 0 H VAL A 60 -14.242 -5.076 21.047 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.150 -5.426 19.034 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.117 -3.023 20.581 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.818 -1.710 18.902 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.763 -2.765 19.871 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.199 -3.228 18.209 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.142 -2.355 18.410 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.612 -3.898 17.698 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -14.813 -3.890 19.011 1.00 0.00 H new ATOM 894 N LYS A 61 -10.120 -5.462 20.524 1.00 0.00 N ATOM 895 CA LYS A 61 -8.958 -5.819 21.354 1.00 0.00 C ATOM 896 C LYS A 61 -7.655 -5.135 20.876 1.00 0.00 C ATOM 897 O LYS A 61 -7.507 -4.823 19.692 1.00 0.00 O ATOM 898 CB LYS A 61 -8.844 -7.366 21.367 1.00 0.00 C ATOM 899 CG LYS A 61 -10.119 -8.026 21.932 1.00 0.00 C ATOM 900 CD LYS A 61 -10.013 -9.549 22.098 1.00 0.00 C ATOM 901 CE LYS A 61 -9.184 -10.029 23.301 1.00 0.00 C ATOM 902 NZ LYS A 61 -9.712 -9.536 24.605 1.00 0.00 N ATOM 0 H LYS A 61 -9.937 -5.571 19.527 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.106 -5.452 22.369 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.666 -7.727 20.354 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.984 -7.663 21.967 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.348 -7.580 22.900 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.956 -7.800 21.271 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.019 -9.958 22.186 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.578 -9.966 21.190 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.166 -11.119 23.311 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.154 -9.694 23.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.539 -10.249 25.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.232 -8.650 24.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.734 -9.365 24.523 1.00 0.00 H new ATOM 916 N ARG A 62 -6.712 -4.885 21.799 1.00 0.00 N ATOM 917 CA ARG A 62 -5.374 -4.320 21.523 1.00 0.00 C ATOM 918 C ARG A 62 -4.297 -5.409 21.624 1.00 0.00 C ATOM 919 O ARG A 62 -4.336 -6.230 22.541 1.00 0.00 O ATOM 920 CB ARG A 62 -5.086 -3.165 22.502 1.00 0.00 C ATOM 921 CG ARG A 62 -3.757 -2.442 22.211 1.00 0.00 C ATOM 922 CD ARG A 62 -3.578 -1.172 23.060 1.00 0.00 C ATOM 923 NE ARG A 62 -3.510 -1.473 24.506 1.00 0.00 N ATOM 924 CZ ARG A 62 -2.446 -1.876 25.197 1.00 0.00 C ATOM 925 NH1 ARG A 62 -1.271 -2.075 24.633 1.00 0.00 N ATOM 926 NH2 ARG A 62 -2.555 -2.087 26.490 1.00 0.00 N ATOM 0 H ARG A 62 -6.861 -5.075 22.790 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.355 -3.928 20.506 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.902 -2.444 22.454 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.065 -3.556 23.519 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.928 -3.123 22.402 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.715 -2.178 21.154 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.667 -0.658 22.754 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.407 -0.490 22.871 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.376 -1.359 25.033 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.153 -1.920 23.632 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.480 -2.384 25.198 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.450 -1.942 26.957 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.744 -2.396 27.026 1.00 0.00 H new ATOM 940 N GLU A 63 -3.331 -5.398 20.702 1.00 0.00 N ATOM 941 CA GLU A 63 -2.347 -6.473 20.527 1.00 0.00 C ATOM 942 C GLU A 63 -1.164 -6.003 19.663 1.00 0.00 C ATOM 943 O GLU A 63 -1.208 -4.941 19.039 1.00 0.00 O ATOM 944 CB GLU A 63 -3.084 -7.700 19.942 1.00 0.00 C ATOM 945 CG GLU A 63 -2.329 -9.028 19.875 1.00 0.00 C ATOM 946 CD GLU A 63 -1.657 -9.400 21.203 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.484 -9.003 21.393 1.00 0.00 O ATOM 948 OE2 GLU A 63 -2.282 -10.074 22.054 1.00 0.00 O ATOM 0 H GLU A 63 -3.207 -4.629 20.044 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.907 -6.758 21.483 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.987 -7.859 20.531 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.404 -7.447 18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.021 -9.820 19.590 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.571 -8.970 19.094 1.00 0.00 H new ATOM 955 N ARG A 64 -0.089 -6.790 19.638 1.00 0.00 N ATOM 956 CA ARG A 64 1.127 -6.532 18.858 1.00 0.00 C ATOM 957 C ARG A 64 0.959 -7.026 17.418 1.00 0.00 C ATOM 958 O ARG A 64 0.400 -8.103 17.188 1.00 0.00 O ATOM 959 CB ARG A 64 2.318 -7.239 19.532 1.00 0.00 C ATOM 960 CG ARG A 64 2.614 -6.703 20.948 1.00 0.00 C ATOM 961 CD ARG A 64 3.202 -7.789 21.860 1.00 0.00 C ATOM 962 NE ARG A 64 2.188 -8.822 22.136 1.00 0.00 N ATOM 963 CZ ARG A 64 2.353 -10.038 22.631 1.00 0.00 C ATOM 964 NH1 ARG A 64 3.517 -10.495 23.041 1.00 0.00 N ATOM 965 NH2 ARG A 64 1.287 -10.799 22.691 1.00 0.00 N ATOM 0 H ARG A 64 -0.036 -7.654 20.177 1.00 0.00 H new ATOM 0 HA ARG A 64 1.312 -5.458 18.826 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.114 -8.308 19.590 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.205 -7.117 18.910 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.311 -5.868 20.882 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.695 -6.317 21.389 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.073 -8.241 21.385 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.543 -7.344 22.795 1.00 0.00 H new ATOM 0 HE ARG A 64 1.226 -8.564 21.915 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.346 -9.903 22.985 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.590 -11.441 23.415 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.388 -10.444 22.365 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.357 -11.746 23.064 1.00 0.00 H new ATOM 979 N LEU A 65 1.522 -6.304 16.443 1.00 0.00 N ATOM 980 CA LEU A 65 1.512 -6.704 15.026 1.00 0.00 C ATOM 981 C LEU A 65 2.102 -8.110 14.860 1.00 0.00 C ATOM 982 O LEU A 65 1.451 -8.968 14.281 1.00 0.00 O ATOM 983 CB LEU A 65 2.267 -5.653 14.181 1.00 0.00 C ATOM 984 CG LEU A 65 2.260 -5.955 12.662 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.871 -5.737 12.041 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.296 -5.090 11.935 1.00 0.00 C ATOM 0 H LEU A 65 2.001 -5.420 16.613 1.00 0.00 H new ATOM 0 HA LEU A 65 0.484 -6.745 14.667 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.819 -4.674 14.350 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.299 -5.595 14.526 1.00 0.00 H new ATOM 0 HG LEU A 65 2.521 -7.007 12.542 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.910 -5.960 10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.149 -6.396 12.523 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.567 -4.700 12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.276 -5.317 10.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.061 -4.036 12.086 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.289 -5.301 12.332 1.00 0.00 H new ATOM 998 N GLU A 66 3.270 -8.375 15.448 1.00 0.00 N ATOM 999 CA GLU A 66 3.937 -9.684 15.373 1.00 0.00 C ATOM 1000 C GLU A 66 3.114 -10.848 15.968 1.00 0.00 C ATOM 1001 O GLU A 66 3.288 -11.987 15.538 1.00 0.00 O ATOM 1002 CB GLU A 66 5.341 -9.610 16.004 1.00 0.00 C ATOM 1003 CG GLU A 66 5.350 -9.351 17.516 1.00 0.00 C ATOM 1004 CD GLU A 66 6.787 -9.273 18.049 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.349 -10.321 18.447 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.362 -8.159 18.081 1.00 0.00 O ATOM 0 H GLU A 66 3.786 -7.685 15.994 1.00 0.00 H new ATOM 0 HA GLU A 66 4.031 -9.915 14.312 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.863 -10.546 15.806 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.906 -8.819 15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.826 -8.420 17.733 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.810 -10.147 18.029 1.00 0.00 H new ATOM 1013 N ASP A 67 2.182 -10.587 16.896 1.00 0.00 N ATOM 1014 CA ASP A 67 1.248 -11.606 17.395 1.00 0.00 C ATOM 1015 C ASP A 67 0.079 -11.784 16.413 1.00 0.00 C ATOM 1016 O ASP A 67 -0.253 -12.910 16.049 1.00 0.00 O ATOM 1017 CB ASP A 67 0.746 -11.226 18.793 1.00 0.00 C ATOM 1018 CG ASP A 67 -0.186 -12.308 19.365 1.00 0.00 C ATOM 1019 OD1 ASP A 67 -1.367 -12.366 18.951 1.00 0.00 O ATOM 1020 OD2 ASP A 67 0.277 -13.105 20.214 1.00 0.00 O ATOM 0 H ASP A 67 2.055 -9.668 17.320 1.00 0.00 H new ATOM 0 HA ASP A 67 1.771 -12.559 17.472 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.596 -11.085 19.461 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.216 -10.275 18.745 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.505 -10.676 15.939 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.607 -10.680 14.954 1.00 0.00 C ATOM 1027 C VAL A 68 -1.176 -11.272 13.599 1.00 0.00 C ATOM 1028 O VAL A 68 -1.980 -11.911 12.925 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.245 -9.276 14.825 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.329 -9.181 13.742 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.873 -8.897 16.178 1.00 0.00 C ATOM 0 H VAL A 68 -0.226 -9.739 16.229 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.384 -11.346 15.330 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.446 -8.594 14.533 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.727 -8.167 13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.897 -9.429 12.772 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.133 -9.880 13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.327 -7.909 16.104 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.636 -9.629 16.443 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.101 -8.884 16.947 1.00 0.00 H new ATOM 1041 N VAL A 69 0.097 -11.115 13.237 1.00 0.00 N ATOM 1042 CA VAL A 69 0.716 -11.642 12.011 1.00 0.00 C ATOM 1043 C VAL A 69 1.349 -13.035 12.213 1.00 0.00 C ATOM 1044 O VAL A 69 1.498 -13.775 11.243 1.00 0.00 O ATOM 1045 CB VAL A 69 1.745 -10.610 11.489 1.00 0.00 C ATOM 1046 CG1 VAL A 69 2.617 -11.112 10.329 1.00 0.00 C ATOM 1047 CG2 VAL A 69 0.990 -9.343 11.040 1.00 0.00 C ATOM 0 H VAL A 69 0.758 -10.594 13.813 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.064 -11.788 11.263 1.00 0.00 H new ATOM 0 HB VAL A 69 2.428 -10.410 12.315 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.308 -10.325 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.181 -11.987 10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.981 -11.380 9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.703 -8.607 10.670 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.288 -9.600 10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.444 -8.926 11.886 1.00 0.00 H new ATOM 1057 N GLY A 70 1.681 -13.434 13.450 1.00 0.00 N ATOM 1058 CA GLY A 70 2.301 -14.730 13.753 1.00 0.00 C ATOM 1059 C GLY A 70 1.395 -15.904 13.371 1.00 0.00 C ATOM 1060 O GLY A 70 0.272 -16.018 13.866 1.00 0.00 O ATOM 0 H GLY A 70 1.524 -12.858 14.277 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.247 -14.813 13.218 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.531 -14.781 14.817 1.00 0.00 H new ATOM 1064 N GLY A 71 1.869 -16.752 12.449 1.00 0.00 N ATOM 1065 CA GLY A 71 1.110 -17.883 11.889 1.00 0.00 C ATOM 1066 C GLY A 71 0.001 -17.484 10.905 1.00 0.00 C ATOM 1067 O GLY A 71 -0.801 -18.338 10.525 1.00 0.00 O ATOM 0 H GLY A 71 2.809 -16.671 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.804 -18.553 11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.665 -18.446 12.709 1.00 0.00 H new ATOM 1071 N CYS A 72 -0.064 -16.204 10.516 1.00 0.00 N ATOM 1072 CA CYS A 72 -1.142 -15.592 9.731 1.00 0.00 C ATOM 1073 C CYS A 72 -0.608 -14.931 8.441 1.00 0.00 C ATOM 1074 O CYS A 72 0.586 -14.637 8.319 1.00 0.00 O ATOM 1075 CB CYS A 72 -1.850 -14.542 10.611 1.00 0.00 C ATOM 1076 SG CYS A 72 -2.425 -15.261 12.181 1.00 0.00 S ATOM 0 H CYS A 72 0.669 -15.536 10.752 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.841 -16.371 9.426 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.167 -13.718 10.816 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.699 -14.125 10.069 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.400 -15.611 12.900 1.00 0.00 H new ATOM 1082 N CYS A 73 -1.515 -14.651 7.499 1.00 0.00 N ATOM 1083 CA CYS A 73 -1.253 -13.829 6.303 1.00 0.00 C ATOM 1084 C CYS A 73 -1.997 -12.483 6.416 1.00 0.00 C ATOM 1085 O CYS A 73 -2.955 -12.369 7.180 1.00 0.00 O ATOM 1086 CB CYS A 73 -1.652 -14.617 5.039 1.00 0.00 C ATOM 1087 SG CYS A 73 -0.642 -16.123 4.903 1.00 0.00 S ATOM 0 H CYS A 73 -2.474 -14.995 7.544 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.189 -13.603 6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.709 -14.880 5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.515 -13.996 4.154 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.987 -16.782 3.837 1.00 0.00 H new ATOM 1093 N TYR A 74 -1.581 -11.461 5.665 1.00 0.00 N ATOM 1094 CA TYR A 74 -2.162 -10.110 5.756 1.00 0.00 C ATOM 1095 C TYR A 74 -1.956 -9.236 4.506 1.00 0.00 C ATOM 1096 O TYR A 74 -1.167 -9.577 3.623 1.00 0.00 O ATOM 1097 CB TYR A 74 -1.642 -9.395 7.019 1.00 0.00 C ATOM 1098 CG TYR A 74 -0.176 -8.998 7.008 1.00 0.00 C ATOM 1099 CD1 TYR A 74 0.815 -9.961 7.269 1.00 0.00 C ATOM 1100 CD2 TYR A 74 0.195 -7.656 6.781 1.00 0.00 C ATOM 1101 CE1 TYR A 74 2.171 -9.587 7.324 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.546 -7.268 6.872 1.00 0.00 C ATOM 1103 CZ TYR A 74 2.538 -8.234 7.153 1.00 0.00 C ATOM 1104 OH TYR A 74 3.846 -7.877 7.249 1.00 0.00 O ATOM 0 H TYR A 74 -0.833 -11.541 4.976 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.240 -10.253 5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.239 -8.497 7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.815 -10.045 7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.535 -10.992 7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.560 -6.923 6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.931 -10.335 7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.823 -6.234 6.727 1.00 0.00 H new ATOM 0 HH TYR A 74 3.964 -6.970 6.897 1.00 0.00 H new ATOM 1114 N ARG A 75 -2.655 -8.091 4.457 1.00 0.00 N ATOM 1115 CA ARG A 75 -2.620 -7.094 3.366 1.00 0.00 C ATOM 1116 C ARG A 75 -3.224 -5.758 3.830 1.00 0.00 C ATOM 1117 O ARG A 75 -4.307 -5.755 4.406 1.00 0.00 O ATOM 1118 CB ARG A 75 -3.405 -7.682 2.164 1.00 0.00 C ATOM 1119 CG ARG A 75 -3.571 -6.783 0.925 1.00 0.00 C ATOM 1120 CD ARG A 75 -2.260 -6.295 0.290 1.00 0.00 C ATOM 1121 NE ARG A 75 -1.362 -7.402 -0.083 1.00 0.00 N ATOM 1122 CZ ARG A 75 -1.439 -8.192 -1.147 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -2.403 -8.081 -2.038 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -0.527 -9.122 -1.327 1.00 0.00 N ATOM 0 H ARG A 75 -3.289 -7.819 5.208 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.591 -6.888 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.907 -8.600 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.399 -7.962 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.139 -7.330 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.166 -5.914 1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.489 -5.704 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.746 -5.635 0.989 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.586 -7.583 0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.124 -7.369 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.428 -8.707 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.230 -9.231 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.577 -9.734 -2.141 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.571 -4.617 3.577 1.00 0.00 N ATOM 1139 CA VAL A 76 -3.192 -3.284 3.792 1.00 0.00 C ATOM 1140 C VAL A 76 -4.292 -3.092 2.739 1.00 0.00 C ATOM 1141 O VAL A 76 -4.045 -3.272 1.547 1.00 0.00 O ATOM 1142 CB VAL A 76 -2.179 -2.114 3.745 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.858 -0.743 3.942 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.109 -2.279 4.835 1.00 0.00 C ATOM 0 H VAL A 76 -1.615 -4.579 3.224 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.608 -3.265 4.799 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.725 -2.143 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.106 0.045 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.593 -0.584 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.356 -0.719 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.407 -1.447 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.587 -2.292 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.573 -3.215 4.680 1.00 0.00 H new ATOM 1154 N ASN A 77 -5.504 -2.749 3.187 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.698 -2.677 2.338 1.00 0.00 C ATOM 1156 C ASN A 77 -7.709 -1.663 2.906 1.00 0.00 C ATOM 1157 O ASN A 77 -8.809 -2.011 3.339 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.281 -4.094 2.134 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.457 -4.134 1.151 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -8.735 -3.184 0.427 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.176 -5.240 1.086 1.00 0.00 N ATOM 0 H ASN A 77 -5.686 -2.510 4.162 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.432 -2.304 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.493 -4.754 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.609 -4.486 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.959 -5.302 0.435 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.948 -6.032 1.686 1.00 0.00 H new ATOM 1168 N ASN A 78 -7.324 -0.385 2.928 1.00 0.00 N ATOM 1169 CA ASN A 78 -8.145 0.715 3.428 1.00 0.00 C ATOM 1170 C ASN A 78 -9.170 1.167 2.374 1.00 0.00 C ATOM 1171 O ASN A 78 -9.097 2.258 1.816 1.00 0.00 O ATOM 1172 CB ASN A 78 -7.257 1.850 3.964 1.00 0.00 C ATOM 1173 CG ASN A 78 -8.073 2.866 4.757 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -9.291 2.780 4.858 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -7.435 3.841 5.364 1.00 0.00 N ATOM 0 H ASN A 78 -6.411 -0.081 2.590 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.736 0.367 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.475 1.434 4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.760 2.349 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.954 4.523 5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -6.421 3.916 5.282 1.00 0.00 H new ATOM 1182 N SER A 79 -10.144 0.294 2.121 1.00 0.00 N ATOM 1183 CA SER A 79 -11.211 0.410 1.110 1.00 0.00 C ATOM 1184 C SER A 79 -11.738 1.835 0.870 1.00 0.00 C ATOM 1185 O SER A 79 -11.543 2.385 -0.210 1.00 0.00 O ATOM 1186 CB SER A 79 -12.352 -0.544 1.501 1.00 0.00 C ATOM 1187 OG SER A 79 -12.766 -0.350 2.852 1.00 0.00 O ATOM 0 H SER A 79 -10.220 -0.575 2.650 1.00 0.00 H new ATOM 0 HA SER A 79 -10.770 0.132 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.201 -0.388 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.026 -1.575 1.365 1.00 0.00 H new ATOM 0 HG SER A 79 -13.493 -0.972 3.064 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.365 2.461 1.869 1.00 0.00 N ATOM 1194 CA LEU A 80 -13.015 3.777 1.724 1.00 0.00 C ATOM 1195 C LEU A 80 -12.028 4.933 1.484 1.00 0.00 C ATOM 1196 O LEU A 80 -12.362 5.909 0.815 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.922 4.042 2.939 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.036 2.996 3.162 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.893 3.421 4.365 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.918 2.787 1.921 1.00 0.00 C ATOM 0 H LEU A 80 -12.439 2.071 2.809 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.624 3.739 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.301 4.086 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.383 5.023 2.822 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.556 2.038 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.682 2.686 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.266 3.483 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.340 4.395 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.682 2.041 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.397 3.729 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.302 2.443 1.090 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.802 4.821 1.995 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.701 5.742 1.676 1.00 0.00 C ATOM 1214 C ASP A 81 -9.193 5.573 0.234 1.00 0.00 C ATOM 1215 O ASP A 81 -8.951 6.563 -0.458 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.585 5.510 2.695 1.00 0.00 C ATOM 1217 CG ASP A 81 -7.519 6.609 2.675 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -6.573 6.530 1.855 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -7.598 7.495 3.557 1.00 0.00 O ATOM 0 H ASP A 81 -10.539 4.083 2.648 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.061 6.769 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.019 5.450 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.112 4.549 2.495 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.106 4.330 -0.250 1.00 0.00 N ATOM 1225 CA HIS A 82 -8.799 4.033 -1.654 1.00 0.00 C ATOM 1226 C HIS A 82 -9.946 4.464 -2.606 1.00 0.00 C ATOM 1227 O HIS A 82 -9.684 4.847 -3.751 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.481 2.533 -1.805 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.385 1.997 -0.907 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -6.360 2.707 -0.313 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -7.213 0.684 -0.551 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -5.604 1.844 0.385 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -6.083 0.591 0.273 1.00 0.00 N ATOM 0 H HIS A 82 -9.247 3.498 0.323 1.00 0.00 H new ATOM 0 HA HIS A 82 -7.924 4.615 -1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.392 1.967 -1.612 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.201 2.343 -2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.842 -0.140 -0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.731 2.118 0.958 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.702 -0.253 0.700 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.201 4.435 -2.135 1.00 0.00 N ATOM 1242 CA GLU A 83 -12.381 4.886 -2.880 1.00 0.00 C ATOM 1243 C GLU A 83 -12.512 6.418 -2.945 1.00 0.00 C ATOM 1244 O GLU A 83 -12.920 6.939 -3.987 1.00 0.00 O ATOM 1245 CB GLU A 83 -13.666 4.259 -2.308 1.00 0.00 C ATOM 1246 CG GLU A 83 -13.805 2.757 -2.601 1.00 0.00 C ATOM 1247 CD GLU A 83 -14.116 2.497 -4.083 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -15.286 2.681 -4.498 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -13.203 2.098 -4.846 1.00 0.00 O ATOM 0 H GLU A 83 -11.427 4.089 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.240 4.542 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.685 4.413 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.529 4.782 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.882 2.245 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.598 2.337 -1.983 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.159 7.147 -1.875 1.00 0.00 N ATOM 1257 CA TYR A 84 -12.312 8.616 -1.803 1.00 0.00 C ATOM 1258 C TYR A 84 -11.518 9.376 -0.714 1.00 0.00 C ATOM 1259 O TYR A 84 -10.899 10.392 -1.041 1.00 0.00 O ATOM 1260 CB TYR A 84 -13.806 9.004 -1.702 1.00 0.00 C ATOM 1261 CG TYR A 84 -14.619 8.310 -0.624 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -15.273 7.097 -0.910 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -14.742 8.883 0.655 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -15.990 6.419 0.090 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -15.452 8.210 1.666 1.00 0.00 C ATOM 1266 CZ TYR A 84 -16.076 6.973 1.387 1.00 0.00 C ATOM 1267 OH TYR A 84 -16.763 6.323 2.362 1.00 0.00 O ATOM 0 H TYR A 84 -11.758 6.737 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.858 8.943 -2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -13.868 10.079 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.276 8.803 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -15.223 6.684 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.290 9.842 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.473 5.479 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.520 8.638 2.655 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.493 5.807 1.960 1.00 0.00 H new ATOM 1277 N GLN A 85 -11.610 8.999 0.570 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.373 9.974 1.658 1.00 0.00 C ATOM 1279 C GLN A 85 -9.890 10.394 1.847 1.00 0.00 C ATOM 1280 O GLN A 85 -8.999 9.573 1.615 1.00 0.00 O ATOM 1281 CB GLN A 85 -11.993 9.509 2.992 1.00 0.00 C ATOM 1282 CG GLN A 85 -11.494 8.163 3.536 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.185 7.760 4.835 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -11.700 7.984 5.933 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -13.349 7.154 4.745 1.00 0.00 N ATOM 0 H GLN A 85 -11.840 8.055 0.881 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.887 10.877 1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.803 10.275 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.074 9.448 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.659 7.389 2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.419 8.220 3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -13.756 6.966 3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.844 6.872 5.591 1.00 0.00 H new ATOM 1294 N PRO A 86 -9.615 11.648 2.295 1.00 0.00 N ATOM 1295 CA PRO A 86 -8.269 12.110 2.644 1.00 0.00 C ATOM 1296 C PRO A 86 -7.808 11.635 4.031 1.00 0.00 C ATOM 1297 O PRO A 86 -6.630 11.320 4.188 1.00 0.00 O ATOM 1298 CB PRO A 86 -8.330 13.637 2.592 1.00 0.00 C ATOM 1299 CG PRO A 86 -9.783 13.956 2.936 1.00 0.00 C ATOM 1300 CD PRO A 86 -10.554 12.766 2.364 1.00 0.00 C ATOM 0 HA PRO A 86 -7.541 11.696 1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.641 14.089 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.060 14.015 1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.930 14.050 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.105 14.896 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.406 12.517 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.949 13.000 1.376 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.727 11.588 5.015 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.586 10.980 6.345 1.00 0.00 C ATOM 1310 C ARG A 87 -7.603 11.672 7.337 1.00 0.00 C ATOM 1311 O ARG A 87 -6.396 11.706 7.085 1.00 0.00 O ATOM 1312 CB ARG A 87 -8.257 9.496 6.138 1.00 0.00 C ATOM 1313 CG ARG A 87 -8.639 8.673 7.363 1.00 0.00 C ATOM 1314 CD ARG A 87 -8.588 7.168 7.080 1.00 0.00 C ATOM 1315 NE ARG A 87 -7.308 6.562 7.517 1.00 0.00 N ATOM 1316 CZ ARG A 87 -6.128 6.568 6.898 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -5.933 7.005 5.679 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -5.081 6.091 7.521 1.00 0.00 N ATOM 0 H ARG A 87 -9.650 12.004 4.889 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.538 11.119 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.789 9.121 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.192 9.381 5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.964 8.911 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.643 8.948 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.415 6.675 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.725 6.995 6.012 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.334 6.074 8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.715 7.373 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.999 6.978 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.175 5.722 8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.171 6.089 7.061 1.00 0.00 H new ATOM 1332 N PRO A 88 -8.074 12.152 8.515 1.00 0.00 N ATOM 1333 CA PRO A 88 -7.232 12.721 9.575 1.00 0.00 C ATOM 1334 C PRO A 88 -6.563 11.611 10.402 1.00 0.00 C ATOM 1335 O PRO A 88 -7.094 11.170 11.416 1.00 0.00 O ATOM 1336 CB PRO A 88 -8.177 13.603 10.404 1.00 0.00 C ATOM 1337 CG PRO A 88 -9.515 12.874 10.296 1.00 0.00 C ATOM 1338 CD PRO A 88 -9.482 12.313 8.875 1.00 0.00 C ATOM 0 HA PRO A 88 -6.403 13.310 9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.846 13.687 11.439 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.236 14.616 10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.606 12.083 11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.357 13.550 10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.005 11.358 8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.983 12.988 8.181 1.00 0.00 H new ATOM 1346 N VAL A 89 -5.375 11.175 9.974 1.00 0.00 N ATOM 1347 CA VAL A 89 -4.656 9.982 10.482 1.00 0.00 C ATOM 1348 C VAL A 89 -4.539 9.929 12.015 1.00 0.00 C ATOM 1349 O VAL A 89 -4.775 8.877 12.606 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.260 9.885 9.815 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.375 8.768 10.398 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -3.409 9.645 8.299 1.00 0.00 C ATOM 0 H VAL A 89 -4.860 11.655 9.236 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.258 9.116 10.208 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.769 10.837 10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.414 8.759 9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.216 8.948 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.868 7.805 10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.421 9.579 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.950 8.714 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.961 10.472 7.852 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.256 11.058 12.674 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.107 11.121 14.142 1.00 0.00 C ATOM 1364 C GLU A 90 -5.445 10.875 14.855 1.00 0.00 C ATOM 1365 O GLU A 90 -5.504 10.210 15.893 1.00 0.00 O ATOM 1366 CB GLU A 90 -3.549 12.489 14.575 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.210 12.833 13.916 1.00 0.00 C ATOM 1368 CD GLU A 90 -1.603 14.103 14.527 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -1.943 15.220 14.069 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -0.773 14.000 15.462 1.00 0.00 O ATOM 0 H GLU A 90 -4.123 11.956 12.210 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.408 10.335 14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.276 13.264 14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.426 12.497 15.658 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.517 12.000 14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.354 12.974 12.845 1.00 0.00 H new ATOM 1377 N VAL A 91 -6.541 11.361 14.268 1.00 0.00 N ATOM 1378 CA VAL A 91 -7.903 11.199 14.803 1.00 0.00 C ATOM 1379 C VAL A 91 -8.400 9.769 14.568 1.00 0.00 C ATOM 1380 O VAL A 91 -9.157 9.258 15.385 1.00 0.00 O ATOM 1381 CB VAL A 91 -8.860 12.254 14.200 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.293 12.144 14.748 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.333 13.681 14.458 1.00 0.00 C ATOM 0 H VAL A 91 -6.511 11.887 13.394 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.882 11.367 15.880 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.894 12.053 13.129 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.918 12.910 14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.697 11.158 14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.281 12.286 15.829 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.021 14.407 14.025 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.254 13.851 15.532 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.351 13.795 13.999 1.00 0.00 H new ATOM 1393 N ILE A 92 -7.922 9.074 13.523 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.192 7.634 13.326 1.00 0.00 C ATOM 1395 C ILE A 92 -7.488 6.801 14.400 1.00 0.00 C ATOM 1396 O ILE A 92 -8.123 5.976 15.045 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.788 7.170 11.905 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -8.349 8.058 10.774 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -8.220 5.713 11.656 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -9.784 8.581 10.920 1.00 0.00 C ATOM 0 H ILE A 92 -7.341 9.488 12.794 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.266 7.479 13.424 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.702 7.255 11.877 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.689 8.918 10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.292 7.492 9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.924 5.412 10.651 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.740 5.061 12.386 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.303 5.633 11.755 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.040 9.189 10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.473 7.739 10.989 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.860 9.187 11.823 1.00 0.00 H new ATOM 1412 N ILE A 93 -6.202 7.063 14.663 1.00 0.00 N ATOM 1413 CA ILE A 93 -5.452 6.397 15.749 1.00 0.00 C ATOM 1414 C ILE A 93 -6.090 6.693 17.113 1.00 0.00 C ATOM 1415 O ILE A 93 -6.196 5.808 17.955 1.00 0.00 O ATOM 1416 CB ILE A 93 -3.957 6.802 15.678 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.322 6.208 14.396 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -3.188 6.343 16.932 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -1.893 6.689 14.115 1.00 0.00 C ATOM 0 H ILE A 93 -5.649 7.738 14.135 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.501 5.316 15.619 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.893 7.890 15.641 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.317 5.121 14.478 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.952 6.460 13.543 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.144 6.643 16.849 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.628 6.802 17.817 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.248 5.258 17.019 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.526 6.224 13.200 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.890 7.773 13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.246 6.412 14.947 1.00 0.00 H new ATOM 1431 N SER A 94 -6.575 7.915 17.318 1.00 0.00 N ATOM 1432 CA SER A 94 -7.274 8.299 18.548 1.00 0.00 C ATOM 1433 C SER A 94 -8.621 7.565 18.674 1.00 0.00 C ATOM 1434 O SER A 94 -8.959 7.053 19.740 1.00 0.00 O ATOM 1435 CB SER A 94 -7.490 9.822 18.587 1.00 0.00 C ATOM 1436 OG SER A 94 -6.268 10.541 18.475 1.00 0.00 O ATOM 0 H SER A 94 -6.496 8.670 16.637 1.00 0.00 H new ATOM 0 HA SER A 94 -6.651 8.009 19.394 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.157 10.114 17.776 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.985 10.093 19.519 1.00 0.00 H new ATOM 0 HG SER A 94 -5.910 10.439 17.568 1.00 0.00 H new ATOM 1442 N SER A 95 -9.357 7.438 17.568 1.00 0.00 N ATOM 1443 CA SER A 95 -10.625 6.711 17.494 1.00 0.00 C ATOM 1444 C SER A 95 -10.443 5.213 17.753 1.00 0.00 C ATOM 1445 O SER A 95 -11.232 4.615 18.481 1.00 0.00 O ATOM 1446 CB SER A 95 -11.270 6.920 16.117 1.00 0.00 C ATOM 1447 OG SER A 95 -11.691 8.265 15.938 1.00 0.00 O ATOM 0 H SER A 95 -9.080 7.849 16.676 1.00 0.00 H new ATOM 0 HA SER A 95 -11.275 7.108 18.273 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.558 6.654 15.336 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.125 6.253 16.009 1.00 0.00 H new ATOM 0 HG SER A 95 -10.915 8.825 15.725 1.00 0.00 H new ATOM 1453 N ALA A 96 -9.370 4.603 17.241 1.00 0.00 N ATOM 1454 CA ALA A 96 -9.011 3.214 17.527 1.00 0.00 C ATOM 1455 C ALA A 96 -8.712 3.000 19.025 1.00 0.00 C ATOM 1456 O ALA A 96 -9.248 2.083 19.649 1.00 0.00 O ATOM 1457 CB ALA A 96 -7.827 2.865 16.617 1.00 0.00 C ATOM 0 H ALA A 96 -8.719 5.068 16.608 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.842 2.541 17.317 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.523 1.834 16.795 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.123 2.981 15.574 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.993 3.532 16.834 1.00 0.00 H new ATOM 1463 N LYS A 97 -7.945 3.908 19.641 1.00 0.00 N ATOM 1464 CA LYS A 97 -7.699 3.912 21.095 1.00 0.00 C ATOM 1465 C LYS A 97 -8.944 4.269 21.943 1.00 0.00 C ATOM 1466 O LYS A 97 -8.919 4.065 23.156 1.00 0.00 O ATOM 1467 CB LYS A 97 -6.489 4.805 21.409 1.00 0.00 C ATOM 1468 CG LYS A 97 -5.182 4.217 20.842 1.00 0.00 C ATOM 1469 CD LYS A 97 -3.934 4.986 21.300 1.00 0.00 C ATOM 1470 CE LYS A 97 -3.976 6.467 20.887 1.00 0.00 C ATOM 1471 NZ LYS A 97 -2.714 7.173 21.242 1.00 0.00 N ATOM 0 H LYS A 97 -7.474 4.665 19.146 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.467 2.889 21.391 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.652 5.798 20.991 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.396 4.925 22.488 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.094 3.175 21.150 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.228 4.225 19.753 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.844 4.916 22.384 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.046 4.518 20.876 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.145 6.541 19.813 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.818 6.958 21.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.779 8.169 20.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.566 7.124 22.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.914 6.720 20.755 1.00 0.00 H new ATOM 1485 N GLU A 98 -10.034 4.753 21.336 1.00 0.00 N ATOM 1486 CA GLU A 98 -11.345 4.900 21.979 1.00 0.00 C ATOM 1487 C GLU A 98 -12.212 3.636 21.775 1.00 0.00 C ATOM 1488 O GLU A 98 -12.928 3.220 22.685 1.00 0.00 O ATOM 1489 CB GLU A 98 -12.088 6.146 21.473 1.00 0.00 C ATOM 1490 CG GLU A 98 -11.506 7.436 22.061 1.00 0.00 C ATOM 1491 CD GLU A 98 -12.304 8.660 21.598 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -12.074 9.151 20.467 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -13.173 9.145 22.366 1.00 0.00 O ATOM 0 H GLU A 98 -10.029 5.060 20.363 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.166 5.027 23.047 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.032 6.185 20.385 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.143 6.071 21.735 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.517 7.381 23.150 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.464 7.541 21.758 1.00 0.00 H new ATOM 1500 N MET A 99 -12.105 2.987 20.606 1.00 0.00 N ATOM 1501 CA MET A 99 -12.783 1.725 20.257 1.00 0.00 C ATOM 1502 C MET A 99 -12.209 0.495 20.972 1.00 0.00 C ATOM 1503 O MET A 99 -12.902 -0.513 21.079 1.00 0.00 O ATOM 1504 CB MET A 99 -12.747 1.508 18.731 1.00 0.00 C ATOM 1505 CG MET A 99 -13.757 2.399 17.994 1.00 0.00 C ATOM 1506 SD MET A 99 -15.513 2.066 18.321 1.00 0.00 S ATOM 1507 CE MET A 99 -15.672 0.397 17.632 1.00 0.00 C ATOM 0 H MET A 99 -11.522 3.339 19.847 1.00 0.00 H new ATOM 0 HA MET A 99 -13.812 1.829 20.601 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.743 1.716 18.360 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.959 0.462 18.509 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.551 3.437 18.255 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.584 2.299 16.923 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.720 0.193 17.411 1.00 0.00 H new ATOM 0 HE2 MET A 99 -15.087 0.324 16.715 1.00 0.00 H new ATOM 0 HE3 MET A 99 -15.306 -0.332 18.355 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.981 0.538 21.484 1.00 0.00 N ATOM 1518 CA VAL A 100 -10.457 -0.525 22.362 1.00 0.00 C ATOM 1519 C VAL A 100 -11.434 -0.848 23.507 1.00 0.00 C ATOM 1520 O VAL A 100 -11.871 0.027 24.256 1.00 0.00 O ATOM 1521 CB VAL A 100 -9.038 -0.218 22.884 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -8.981 0.898 23.934 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.373 -1.488 23.433 1.00 0.00 C ATOM 0 H VAL A 100 -10.322 1.297 21.310 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.368 -1.421 21.748 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.486 0.149 22.019 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.948 1.050 24.248 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.370 1.821 23.505 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.584 0.617 24.797 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.374 -1.248 23.795 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.970 -1.886 24.253 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.302 -2.233 22.641 1.00 0.00 H new ATOM 1533 N GLY A 101 -11.808 -2.126 23.596 1.00 0.00 N ATOM 1534 CA GLY A 101 -12.745 -2.659 24.591 1.00 0.00 C ATOM 1535 C GLY A 101 -14.224 -2.604 24.194 1.00 0.00 C ATOM 1536 O GLY A 101 -15.047 -3.128 24.948 1.00 0.00 O ATOM 0 H GLY A 101 -11.457 -2.841 22.959 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.480 -3.696 24.797 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.615 -2.106 25.521 1.00 0.00 H new ATOM 1540 N GLN A 102 -14.591 -2.011 23.047 1.00 0.00 N ATOM 1541 CA GLN A 102 -15.968 -2.008 22.554 1.00 0.00 C ATOM 1542 C GLN A 102 -16.430 -3.430 22.202 1.00 0.00 C ATOM 1543 O GLN A 102 -15.638 -4.286 21.806 1.00 0.00 O ATOM 1544 CB GLN A 102 -16.126 -1.055 21.343 1.00 0.00 C ATOM 1545 CG GLN A 102 -17.226 -0.010 21.530 1.00 0.00 C ATOM 1546 CD GLN A 102 -18.607 -0.650 21.645 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -19.084 -0.950 22.731 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -19.253 -0.978 20.545 1.00 0.00 N ATOM 0 H GLN A 102 -13.936 -1.521 22.438 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.608 -1.637 23.354 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -15.179 -0.546 21.165 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -16.343 -1.645 20.452 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.022 0.575 22.426 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.216 0.682 20.688 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.865 -0.733 19.634 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -20.141 -1.477 20.604 1.00 0.00 H new ATOM 1557 N LYS A 103 -17.734 -3.652 22.333 1.00 0.00 N ATOM 1558 CA LYS A 103 -18.421 -4.927 22.078 1.00 0.00 C ATOM 1559 C LYS A 103 -19.637 -4.760 21.145 1.00 0.00 C ATOM 1560 O LYS A 103 -20.289 -3.713 21.141 1.00 0.00 O ATOM 1561 CB LYS A 103 -18.850 -5.556 23.417 1.00 0.00 C ATOM 1562 CG LYS A 103 -17.655 -5.959 24.297 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.140 -6.547 25.631 1.00 0.00 C ATOM 1564 CE LYS A 103 -16.977 -7.029 26.510 1.00 0.00 C ATOM 1565 NZ LYS A 103 -16.123 -5.915 27.010 1.00 0.00 N ATOM 0 H LYS A 103 -18.376 -2.918 22.633 1.00 0.00 H new ATOM 0 HA LYS A 103 -17.721 -5.588 21.568 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -19.474 -4.848 23.962 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.463 -6.435 23.220 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -17.041 -6.691 23.773 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -17.025 -5.090 24.484 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -18.713 -5.793 26.171 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -18.814 -7.380 25.435 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.377 -7.582 27.360 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.361 -7.723 25.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.128 -6.107 26.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.419 -5.024 26.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.225 -5.836 28.042 1.00 0.00 H new ATOM 1579 N MET A 104 -19.954 -5.800 20.361 1.00 0.00 N ATOM 1580 CA MET A 104 -21.068 -5.819 19.386 1.00 0.00 C ATOM 1581 C MET A 104 -21.730 -7.209 19.322 1.00 0.00 C ATOM 1582 O MET A 104 -21.114 -8.205 19.700 1.00 0.00 O ATOM 1583 CB MET A 104 -20.581 -5.371 17.990 1.00 0.00 C ATOM 1584 CG MET A 104 -20.071 -3.924 17.961 1.00 0.00 C ATOM 1585 SD MET A 104 -19.731 -3.265 16.305 1.00 0.00 S ATOM 1586 CE MET A 104 -18.332 -4.308 15.830 1.00 0.00 C ATOM 0 H MET A 104 -19.433 -6.677 20.383 1.00 0.00 H new ATOM 0 HA MET A 104 -21.823 -5.110 19.725 1.00 0.00 H new ATOM 0 HB2 MET A 104 -19.783 -6.037 17.660 1.00 0.00 H new ATOM 0 HB3 MET A 104 -21.399 -5.475 17.277 1.00 0.00 H new ATOM 0 HG2 MET A 104 -20.809 -3.285 18.446 1.00 0.00 H new ATOM 0 HG3 MET A 104 -19.158 -3.864 18.554 1.00 0.00 H new ATOM 0 HE1 MET A 104 -18.008 -4.045 14.823 1.00 0.00 H new ATOM 0 HE2 MET A 104 -17.509 -4.153 16.528 1.00 0.00 H new ATOM 0 HE3 MET A 104 -18.635 -5.355 15.852 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.977 -7.286 18.840 1.00 0.00 N ATOM 1597 CA LYS A 105 -23.778 -8.529 18.904 1.00 0.00 C ATOM 1598 C LYS A 105 -24.853 -8.695 17.806 1.00 0.00 C ATOM 1599 O LYS A 105 -25.135 -9.819 17.391 1.00 0.00 O ATOM 1600 CB LYS A 105 -24.438 -8.554 20.304 1.00 0.00 C ATOM 1601 CG LYS A 105 -25.009 -9.917 20.735 1.00 0.00 C ATOM 1602 CD LYS A 105 -23.906 -10.980 20.855 1.00 0.00 C ATOM 1603 CE LYS A 105 -24.360 -12.253 21.581 1.00 0.00 C ATOM 1604 NZ LYS A 105 -25.323 -13.065 20.786 1.00 0.00 N ATOM 0 H LYS A 105 -23.460 -6.503 18.399 1.00 0.00 H new ATOM 0 HA LYS A 105 -23.101 -9.365 18.728 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -23.700 -8.237 21.041 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -25.243 -7.819 20.322 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -25.520 -9.812 21.692 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -25.754 -10.245 20.011 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.558 -11.245 19.857 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.056 -10.552 21.386 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -23.487 -12.862 21.815 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -24.821 -11.979 22.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -25.593 -13.911 21.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -26.171 -12.498 20.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -24.878 -13.354 19.891 1.00 0.00 H new ATOM 1618 N TYR A 106 -25.461 -7.598 17.340 1.00 0.00 N ATOM 1619 CA TYR A 106 -26.651 -7.643 16.468 1.00 0.00 C ATOM 1620 C TYR A 106 -26.369 -7.983 14.990 1.00 0.00 C ATOM 1621 O TYR A 106 -27.231 -8.544 14.311 1.00 0.00 O ATOM 1622 CB TYR A 106 -27.387 -6.298 16.582 1.00 0.00 C ATOM 1623 CG TYR A 106 -27.782 -5.927 18.001 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -28.800 -6.647 18.655 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -27.115 -4.885 18.676 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -29.154 -6.333 19.980 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -27.464 -4.565 20.003 1.00 0.00 C ATOM 1628 CZ TYR A 106 -28.485 -5.287 20.659 1.00 0.00 C ATOM 1629 OH TYR A 106 -28.820 -4.975 21.942 1.00 0.00 O ATOM 0 H TYR A 106 -25.146 -6.652 17.554 1.00 0.00 H new ATOM 0 HA TYR A 106 -27.267 -8.470 16.822 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -26.750 -5.512 16.176 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -28.284 -6.333 15.964 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -29.312 -7.444 18.137 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -26.335 -4.331 18.175 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -29.935 -6.889 20.478 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -26.950 -3.767 20.519 1.00 0.00 H new ATOM 0 HH TYR A 106 -28.261 -4.234 22.255 1.00 0.00 H new ATOM 1639 N SER A 107 -25.182 -7.650 14.480 1.00 0.00 N ATOM 1640 CA SER A 107 -24.784 -7.890 13.083 1.00 0.00 C ATOM 1641 C SER A 107 -24.103 -9.262 12.874 1.00 0.00 C ATOM 1642 O SER A 107 -23.429 -9.784 13.767 1.00 0.00 O ATOM 1643 CB SER A 107 -23.870 -6.743 12.614 1.00 0.00 C ATOM 1644 OG SER A 107 -22.840 -6.457 13.553 1.00 0.00 O ATOM 0 H SER A 107 -24.454 -7.197 15.033 1.00 0.00 H new ATOM 0 HA SER A 107 -25.691 -7.914 12.479 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.422 -7.006 11.656 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.469 -5.847 12.451 1.00 0.00 H new ATOM 0 HG SER A 107 -22.283 -5.725 13.215 1.00 0.00 H new ATOM 1650 N ILE A 108 -24.255 -9.847 11.673 1.00 0.00 N ATOM 1651 CA ILE A 108 -23.536 -11.074 11.270 1.00 0.00 C ATOM 1652 C ILE A 108 -22.052 -10.784 10.981 1.00 0.00 C ATOM 1653 O ILE A 108 -21.702 -9.648 10.669 1.00 0.00 O ATOM 1654 CB ILE A 108 -24.276 -11.838 10.134 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -24.737 -11.020 8.902 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -25.513 -12.533 10.730 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -23.616 -10.321 8.127 1.00 0.00 C ATOM 0 H ILE A 108 -24.879 -9.484 10.952 1.00 0.00 H new ATOM 0 HA ILE A 108 -23.539 -11.764 12.114 1.00 0.00 H new ATOM 0 HB ILE A 108 -23.521 -12.522 9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -25.267 -11.686 8.221 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.453 -10.267 9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -26.041 -13.073 9.944 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -25.199 -13.234 11.503 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -26.176 -11.785 11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -24.041 -9.776 7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -23.098 -9.624 8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -22.910 -11.065 7.759 1.00 0.00 H new ATOM 1669 N VAL A 109 -21.179 -11.798 11.063 1.00 0.00 N ATOM 1670 CA VAL A 109 -19.704 -11.623 11.046 1.00 0.00 C ATOM 1671 C VAL A 109 -19.168 -10.726 9.923 1.00 0.00 C ATOM 1672 O VAL A 109 -18.316 -9.878 10.185 1.00 0.00 O ATOM 1673 CB VAL A 109 -18.916 -12.964 11.063 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -19.208 -13.777 12.331 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -19.164 -13.859 9.833 1.00 0.00 C ATOM 0 H VAL A 109 -21.470 -12.772 11.144 1.00 0.00 H new ATOM 0 HA VAL A 109 -19.523 -11.100 11.985 1.00 0.00 H new ATOM 0 HB VAL A 109 -17.869 -12.661 11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -18.639 -14.707 12.306 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.920 -13.198 13.209 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -20.273 -14.004 12.380 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.577 -14.773 9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -20.223 -14.112 9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -18.868 -13.326 8.930 1.00 0.00 H new ATOM 1685 N SER A 110 -19.680 -10.852 8.697 1.00 0.00 N ATOM 1686 CA SER A 110 -19.187 -10.078 7.547 1.00 0.00 C ATOM 1687 C SER A 110 -19.434 -8.576 7.737 1.00 0.00 C ATOM 1688 O SER A 110 -18.519 -7.762 7.576 1.00 0.00 O ATOM 1689 CB SER A 110 -19.858 -10.573 6.254 1.00 0.00 C ATOM 1690 OG SER A 110 -19.695 -11.975 6.096 1.00 0.00 O ATOM 0 H SER A 110 -20.444 -11.489 8.470 1.00 0.00 H new ATOM 0 HA SER A 110 -18.110 -10.230 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 110 -20.920 -10.328 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 110 -19.428 -10.055 5.397 1.00 0.00 H new ATOM 0 HG SER A 110 -20.132 -12.264 5.268 1.00 0.00 H new ATOM 1696 N ARG A 111 -20.647 -8.204 8.175 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.974 -6.807 8.476 1.00 0.00 C ATOM 1698 C ARG A 111 -20.370 -6.355 9.803 1.00 0.00 C ATOM 1699 O ARG A 111 -19.955 -5.210 9.908 1.00 0.00 O ATOM 1700 CB ARG A 111 -22.494 -6.571 8.429 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.863 -5.074 8.420 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.438 -4.379 7.117 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.883 -2.977 7.074 1.00 0.00 N ATOM 1704 CZ ARG A 111 -22.462 -2.049 6.220 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -21.535 -2.289 5.315 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -22.979 -0.839 6.268 1.00 0.00 N ATOM 0 H ARG A 111 -21.417 -8.855 8.328 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.522 -6.190 7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -22.904 -7.048 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.959 -7.051 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.939 -4.966 8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.386 -4.579 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -21.353 -4.419 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -22.853 -4.918 6.266 1.00 0.00 H new ATOM 0 HE ARG A 111 -23.579 -2.691 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.112 -3.215 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.240 -1.549 4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.698 -0.618 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -22.661 -0.122 5.616 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.232 -7.239 10.788 1.00 0.00 N ATOM 1721 CA ASN A 112 -19.585 -6.940 12.073 1.00 0.00 C ATOM 1722 C ASN A 112 -18.132 -6.453 11.872 1.00 0.00 C ATOM 1723 O ASN A 112 -17.721 -5.461 12.470 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.675 -8.196 12.954 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.504 -7.873 14.429 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -18.412 -7.916 14.973 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -20.582 -7.538 15.110 1.00 0.00 N ATOM 0 H ASN A 112 -20.570 -8.199 10.720 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.098 -6.119 12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.640 -8.679 12.799 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.909 -8.908 12.648 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.509 -7.311 16.102 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -21.489 -7.505 14.645 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.406 -7.076 10.931 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.095 -6.647 10.432 1.00 0.00 C ATOM 1736 C CYS A 113 -16.134 -5.262 9.752 1.00 0.00 C ATOM 1737 O CYS A 113 -15.412 -4.355 10.166 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.563 -7.764 9.505 1.00 0.00 C ATOM 1739 SG CYS A 113 -14.992 -9.161 10.516 1.00 0.00 S ATOM 0 H CYS A 113 -17.733 -7.930 10.479 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.409 -6.507 11.267 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -16.348 -8.091 8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -14.745 -7.385 8.892 1.00 0.00 H new ATOM 0 HG CYS A 113 -16.016 -9.853 10.918 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.992 -5.066 8.744 1.00 0.00 N ATOM 1746 CA GLU A 114 -17.098 -3.779 8.027 1.00 0.00 C ATOM 1747 C GLU A 114 -17.537 -2.629 8.951 1.00 0.00 C ATOM 1748 O GLU A 114 -16.964 -1.542 8.922 1.00 0.00 O ATOM 1749 CB GLU A 114 -18.115 -3.881 6.877 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.694 -4.813 5.734 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.735 -4.855 4.597 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.932 -4.562 4.832 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -18.350 -5.180 3.449 1.00 0.00 O ATOM 0 H GLU A 114 -17.629 -5.785 8.401 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.102 -3.562 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.066 -4.229 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.286 -2.884 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.736 -4.483 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.546 -5.820 6.125 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.527 -2.863 9.813 1.00 0.00 N ATOM 1761 CA HIS A 115 -19.029 -1.882 10.777 1.00 0.00 C ATOM 1762 C HIS A 115 -17.942 -1.501 11.802 1.00 0.00 C ATOM 1763 O HIS A 115 -17.833 -0.334 12.180 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.297 -2.444 11.443 1.00 0.00 C ATOM 1765 CG HIS A 115 -21.033 -1.468 12.333 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.347 -0.156 12.046 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -21.591 -1.751 13.553 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.061 0.339 13.073 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -22.241 -0.600 14.021 1.00 0.00 N ATOM 0 H HIS A 115 -19.013 -3.759 9.862 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.291 -0.958 10.262 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.978 -2.788 10.664 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -20.023 -3.317 12.035 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -21.539 -2.700 14.067 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.438 1.350 13.129 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -22.747 -0.495 14.900 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.079 -2.452 12.193 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.881 -2.174 12.990 1.00 0.00 C ATOM 1779 C PHE A 116 -14.914 -1.230 12.258 1.00 0.00 C ATOM 1780 O PHE A 116 -14.631 -0.162 12.787 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.222 -3.494 13.415 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.796 -3.366 13.914 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.522 -2.658 15.097 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.742 -3.946 13.183 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.200 -2.561 15.565 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.424 -3.864 13.665 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.155 -3.189 14.867 1.00 0.00 C ATOM 0 H PHE A 116 -17.196 -3.439 11.962 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.175 -1.644 13.896 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.826 -3.948 14.200 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.234 -4.179 12.567 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.326 -2.189 15.645 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -12.946 -4.454 12.252 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.987 -2.002 16.464 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.617 -4.320 13.110 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.147 -3.153 15.254 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.461 -1.541 11.032 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.536 -0.619 10.314 1.00 0.00 C ATOM 1799 C VAL A 117 -14.185 0.705 9.881 1.00 0.00 C ATOM 1800 O VAL A 117 -13.478 1.696 9.706 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.751 -1.254 9.143 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.608 -2.107 9.700 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.622 -2.046 8.160 1.00 0.00 C ATOM 0 H VAL A 117 -14.704 -2.391 10.523 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.798 -0.388 11.082 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.344 -0.435 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.054 -2.555 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.939 -1.479 10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.017 -2.894 10.333 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.995 -2.458 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.121 -2.858 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.370 -1.385 7.722 1.00 0.00 H new ATOM 1813 N THR A 118 -15.519 0.771 9.783 1.00 0.00 N ATOM 1814 CA THR A 118 -16.243 2.046 9.592 1.00 0.00 C ATOM 1815 C THR A 118 -16.234 2.864 10.879 1.00 0.00 C ATOM 1816 O THR A 118 -16.029 4.061 10.789 1.00 0.00 O ATOM 1817 CB THR A 118 -17.673 1.833 9.072 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.650 0.924 7.991 1.00 0.00 O ATOM 1819 CG2 THR A 118 -18.277 3.129 8.528 1.00 0.00 C ATOM 0 H THR A 118 -16.127 -0.046 9.833 1.00 0.00 H new ATOM 0 HA THR A 118 -15.715 2.609 8.822 1.00 0.00 H new ATOM 0 HB THR A 118 -18.265 1.466 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.449 0.025 8.324 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.288 2.937 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.309 3.876 9.321 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.665 3.498 7.705 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.357 2.250 12.059 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.199 2.937 13.355 1.00 0.00 C ATOM 1829 C GLN A 119 -14.737 3.316 13.675 1.00 0.00 C ATOM 1830 O GLN A 119 -14.519 4.308 14.374 1.00 0.00 O ATOM 1831 CB GLN A 119 -16.775 2.062 14.478 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.313 2.072 14.487 1.00 0.00 C ATOM 1833 CD GLN A 119 -18.861 0.959 15.377 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.302 1.166 16.504 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -18.831 -0.266 14.899 1.00 0.00 N ATOM 0 H GLN A 119 -16.570 1.257 12.148 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.751 3.874 13.284 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.420 1.038 14.358 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.405 2.417 15.440 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.672 3.038 14.843 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.687 1.948 13.471 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.465 -0.439 13.963 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.174 -1.043 15.464 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.741 2.581 13.156 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.327 2.978 13.238 1.00 0.00 C ATOM 1846 C LEU A 120 -12.043 4.250 12.420 1.00 0.00 C ATOM 1847 O LEU A 120 -11.403 5.164 12.943 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.424 1.822 12.769 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.341 0.612 13.723 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.583 -0.517 13.011 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.640 0.970 15.042 1.00 0.00 C ATOM 0 H LEU A 120 -13.893 1.698 12.669 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.104 3.205 14.281 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.783 1.474 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.417 2.210 12.615 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.353 0.294 13.975 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.514 -1.382 13.671 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.116 -0.796 12.102 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.580 -0.176 12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.603 0.090 15.685 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.626 1.311 14.834 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.193 1.763 15.545 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.532 4.312 11.169 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.537 5.526 10.328 1.00 0.00 C ATOM 1865 C ARG A 121 -13.541 6.531 10.921 1.00 0.00 C ATOM 1866 O ARG A 121 -13.182 7.332 11.781 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.765 5.188 8.836 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.643 4.298 8.263 1.00 0.00 C ATOM 1869 CD ARG A 121 -11.820 3.926 6.783 1.00 0.00 C ATOM 1870 NE ARG A 121 -12.869 2.895 6.597 1.00 0.00 N ATOM 1871 CZ ARG A 121 -12.835 1.784 5.861 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -11.822 1.473 5.081 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -13.857 0.953 5.884 1.00 0.00 N ATOM 0 H ARG A 121 -12.944 3.504 10.703 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.557 6.003 10.340 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.723 4.681 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -12.823 6.112 8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -10.690 4.813 8.384 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -11.587 3.382 8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.081 4.817 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -10.874 3.559 6.385 1.00 0.00 H new ATOM 0 HE ARG A 121 -13.739 3.059 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.015 2.094 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -11.843 0.610 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -14.670 1.161 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -13.835 0.102 5.322 1.00 0.00 H new ATOM 1887 N TYR A 122 -14.782 6.535 10.416 1.00 0.00 N ATOM 1888 CA TYR A 122 -15.974 7.246 10.924 1.00 0.00 C ATOM 1889 C TYR A 122 -15.894 8.780 10.725 1.00 0.00 C ATOM 1890 O TYR A 122 -16.845 9.515 10.993 1.00 0.00 O ATOM 1891 CB TYR A 122 -16.194 6.897 12.409 1.00 0.00 C ATOM 1892 CG TYR A 122 -17.641 6.940 12.868 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -18.523 5.894 12.524 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -18.106 8.010 13.659 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -19.861 5.921 12.962 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -19.444 8.043 14.098 1.00 0.00 C ATOM 1897 CZ TYR A 122 -20.327 6.997 13.750 1.00 0.00 C ATOM 1898 OH TYR A 122 -21.622 7.019 14.167 1.00 0.00 O ATOM 0 H TYR A 122 -15.001 6.000 9.575 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.828 6.908 10.337 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -15.799 5.898 12.595 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -15.614 7.589 13.020 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.171 5.069 11.922 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -17.432 8.809 13.930 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -20.532 5.118 12.695 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -19.795 8.868 14.701 1.00 0.00 H new ATOM 0 HH TYR A 122 -21.780 7.826 14.700 1.00 0.00 H new ATOM 1908 N GLY A 123 -14.724 9.247 10.269 1.00 0.00 N ATOM 1909 CA GLY A 123 -14.298 10.649 10.190 1.00 0.00 C ATOM 1910 C GLY A 123 -14.712 11.294 8.880 1.00 0.00 C ATOM 1911 O GLY A 123 -15.592 12.153 8.844 1.00 0.00 O ATOM 0 H GLY A 123 -14.003 8.613 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.729 11.207 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.215 10.706 10.296 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.068 10.850 7.798 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.326 11.322 6.429 1.00 0.00 C ATOM 1917 C LYS A 124 -15.166 10.331 5.589 1.00 0.00 C ATOM 1918 O LYS A 124 -15.447 10.604 4.418 1.00 0.00 O ATOM 1919 CB LYS A 124 -12.968 11.661 5.786 1.00 0.00 C ATOM 1920 CG LYS A 124 -12.249 12.865 6.425 1.00 0.00 C ATOM 1921 CD LYS A 124 -12.977 14.200 6.204 1.00 0.00 C ATOM 1922 CE LYS A 124 -12.144 15.361 6.769 1.00 0.00 C ATOM 1923 NZ LYS A 124 -12.824 16.672 6.580 1.00 0.00 N ATOM 0 H LYS A 124 -13.338 10.139 7.846 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.947 12.217 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.319 10.788 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -13.121 11.864 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.145 12.690 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -11.242 12.937 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -13.153 14.354 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -13.953 14.174 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.963 15.195 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -11.171 15.382 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -12.231 17.430 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.975 16.842 5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -13.742 16.661 7.069 1.00 0.00 H new ATOM 1937 N SER A 125 -15.576 9.200 6.181 1.00 0.00 N ATOM 1938 CA SER A 125 -16.547 8.240 5.621 1.00 0.00 C ATOM 1939 C SER A 125 -17.936 8.865 5.408 1.00 0.00 C ATOM 1940 O SER A 125 -18.411 9.612 6.297 1.00 0.00 O ATOM 1941 CB SER A 125 -16.686 7.023 6.533 1.00 0.00 C ATOM 1942 OG SER A 125 -15.414 6.420 6.714 1.00 0.00 O ATOM 1943 OXT SER A 125 -18.561 8.594 4.357 1.00 0.00 O ATOM 0 H SER A 125 -15.229 8.915 7.097 1.00 0.00 H new ATOM 0 HA SER A 125 -16.157 7.938 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 125 -17.099 7.322 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.382 6.306 6.097 1.00 0.00 H new ATOM 0 HG SER A 125 -15.303 5.690 6.069 1.00 0.00 H new TER 1949 SER A 125