USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 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 57 ASN : amide:sc= 0.312 X(o=0.8,f=0.99) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0.491 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.581 K(o=0.58,f=-4.5!) USER MOD Set 3.1: A 14 GLN : amide:sc= 1.43 K(o=2.4,f=-3.7) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 161:sc= 1.01 (180deg=0) USER MOD Set 4.1: A 7 THR OG1 : rot 150:sc= 1.02 USER MOD Set 4.2: A 17 LYS NZ :NH3+ 155:sc= 1.21 (180deg=0) USER MOD Set 5.1: A 9 LYS NZ :NH3+ 177:sc= 0.59 (180deg=-0.0741) USER MOD Set 5.2: A 15 THR OG1 : rot 140:sc= 0.626 USER MOD Single : A 1 GLY N :NH3+ 161:sc= 0.564 (180deg=0.37) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.832 K(o=0.83,f=-3!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.14 K(o=1.1,f=-0.22) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.575 USER MOD Single : A 12 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.36) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 150:sc= 0.414 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.23) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.941) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.17 (180deg=0.965) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.53) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 1.41 (180deg=1.29) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.16) USER MOD Single : A 65 TYR OH : rot 143:sc= 0.246 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.756 -12.836 -3.422 1.00 10.00 N ATOM 2 CA GLY A 1 -11.575 -14.298 -3.273 1.00 10.00 C ATOM 3 C GLY A 1 -10.400 -14.610 -2.362 1.00 10.00 C ATOM 4 O GLY A 1 -10.267 -14.007 -1.296 1.00 10.00 O ATOM 0 H1 GLY A 1 -12.327 -12.641 -4.269 1.00 10.00 H new ATOM 0 H2 GLY A 1 -12.241 -12.459 -2.583 1.00 10.00 H new ATOM 0 H3 GLY A 1 -10.827 -12.379 -3.519 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -12.484 -14.741 -2.865 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -11.411 -14.750 -4.251 1.00 10.00 H new ATOM 10 N SER A 2 -9.513 -15.522 -2.781 1.00 10.00 N ATOM 11 CA SER A 2 -8.230 -15.812 -2.103 1.00 10.00 C ATOM 12 C SER A 2 -7.262 -14.617 -2.079 1.00 10.00 C ATOM 13 O SER A 2 -6.409 -14.520 -1.193 1.00 10.00 O ATOM 14 CB SER A 2 -7.551 -17.015 -2.765 1.00 10.00 C ATOM 15 OG SER A 2 -7.380 -16.789 -4.158 1.00 10.00 O ATOM 0 H SER A 2 -9.663 -16.092 -3.614 1.00 10.00 H new ATOM 0 HA SER A 2 -8.474 -16.035 -1.064 1.00 10.00 H new ATOM 0 HB2 SER A 2 -6.582 -17.195 -2.299 1.00 10.00 H new ATOM 0 HB3 SER A 2 -8.152 -17.911 -2.607 1.00 10.00 H new ATOM 0 HG SER A 2 -6.943 -17.567 -4.564 1.00 10.00 H new ATOM 21 N HIS A 3 -7.428 -13.672 -3.011 1.00 10.00 N ATOM 22 CA HIS A 3 -6.819 -12.338 -3.026 1.00 10.00 C ATOM 23 C HIS A 3 -7.894 -11.260 -3.269 1.00 10.00 C ATOM 24 O HIS A 3 -9.024 -11.553 -3.677 1.00 10.00 O ATOM 25 CB HIS A 3 -5.703 -12.271 -4.093 1.00 10.00 C ATOM 26 CG HIS A 3 -4.363 -12.840 -3.682 1.00 10.00 C ATOM 27 ND1 HIS A 3 -4.107 -13.745 -2.676 1.00 10.00 N ATOM 28 CD2 HIS A 3 -3.151 -12.517 -4.234 1.00 10.00 C ATOM 29 CE1 HIS A 3 -2.785 -13.965 -2.622 1.00 10.00 C ATOM 30 NE2 HIS A 3 -2.154 -13.232 -3.555 1.00 10.00 N ATOM 0 H HIS A 3 -8.026 -13.827 -3.822 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.366 -12.144 -2.054 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.044 -12.801 -4.982 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.562 -11.229 -4.378 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -4.807 -14.176 -2.072 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -2.991 -11.830 -5.052 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -2.298 -14.635 -1.929 1.00 10.00 H new ATOM 38 N MET A 4 -7.524 -10.007 -3.013 1.00 10.00 N ATOM 39 CA MET A 4 -8.320 -8.787 -3.167 1.00 10.00 C ATOM 40 C MET A 4 -7.425 -7.672 -3.730 1.00 10.00 C ATOM 41 O MET A 4 -6.216 -7.673 -3.495 1.00 10.00 O ATOM 42 CB MET A 4 -8.888 -8.419 -1.786 1.00 10.00 C ATOM 43 CG MET A 4 -9.745 -7.150 -1.789 1.00 10.00 C ATOM 44 SD MET A 4 -10.585 -6.829 -0.216 1.00 10.00 S ATOM 45 CE MET A 4 -11.510 -5.341 -0.680 1.00 10.00 C ATOM 0 H MET A 4 -6.588 -9.800 -2.665 1.00 10.00 H new ATOM 0 HA MET A 4 -9.147 -8.931 -3.863 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.488 -9.251 -1.417 1.00 10.00 H new ATOM 0 HB3 MET A 4 -8.062 -8.287 -1.087 1.00 10.00 H new ATOM 0 HG2 MET A 4 -9.112 -6.297 -2.033 1.00 10.00 H new ATOM 0 HG3 MET A 4 -10.492 -7.229 -2.579 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.093 -4.994 0.173 1.00 10.00 H new ATOM 0 HE2 MET A 4 -10.814 -4.560 -0.985 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.180 -5.573 -1.508 1.00 10.00 H new ATOM 55 N GLN A 5 -8.003 -6.715 -4.461 1.00 10.00 N ATOM 56 CA GLN A 5 -7.257 -5.667 -5.172 1.00 10.00 C ATOM 57 C GLN A 5 -7.454 -4.264 -4.579 1.00 10.00 C ATOM 58 O GLN A 5 -8.512 -3.957 -4.024 1.00 10.00 O ATOM 59 CB GLN A 5 -7.569 -5.715 -6.680 1.00 10.00 C ATOM 60 CG GLN A 5 -9.034 -5.389 -7.004 1.00 10.00 C ATOM 61 CD GLN A 5 -9.368 -5.467 -8.494 1.00 10.00 C ATOM 62 OE1 GLN A 5 -8.541 -5.277 -9.377 1.00 10.00 O ATOM 63 NE2 GLN A 5 -10.607 -5.747 -8.832 1.00 10.00 N ATOM 0 H GLN A 5 -9.014 -6.643 -4.579 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.197 -5.881 -5.034 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -6.922 -5.009 -7.201 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -7.331 -6.708 -7.063 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -9.679 -6.079 -6.460 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -9.262 -4.387 -6.642 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -11.309 -5.908 -8.109 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -10.867 -5.803 -9.817 1.00 10.00 H new ATOM 72 N VAL A 6 -6.434 -3.409 -4.714 1.00 10.00 N ATOM 73 CA VAL A 6 -6.429 -2.026 -4.196 1.00 10.00 C ATOM 74 C VAL A 6 -5.863 -1.066 -5.255 1.00 10.00 C ATOM 75 O VAL A 6 -5.028 -1.448 -6.079 1.00 10.00 O ATOM 76 CB VAL A 6 -5.642 -1.934 -2.862 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.795 -0.558 -2.195 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.109 -2.965 -1.819 1.00 10.00 C ATOM 0 H VAL A 6 -5.570 -3.659 -5.195 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.456 -1.728 -3.984 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.607 -2.123 -3.148 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.227 -0.540 -1.265 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.419 0.215 -2.865 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.848 -0.372 -1.982 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.522 -2.852 -0.908 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.163 -2.803 -1.594 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.973 -3.971 -2.216 1.00 10.00 H new ATOM 88 N THR A 7 -6.316 0.190 -5.241 1.00 10.00 N ATOM 89 CA THR A 7 -5.801 1.270 -6.099 1.00 10.00 C ATOM 90 C THR A 7 -4.826 2.135 -5.300 1.00 10.00 C ATOM 91 O THR A 7 -5.182 2.620 -4.227 1.00 10.00 O ATOM 92 CB THR A 7 -6.955 2.142 -6.612 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.908 1.351 -7.285 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.489 3.205 -7.603 1.00 10.00 C ATOM 0 H THR A 7 -7.067 0.495 -4.621 1.00 10.00 H new ATOM 0 HA THR A 7 -5.288 0.827 -6.952 1.00 10.00 H new ATOM 0 HB THR A 7 -7.379 2.623 -5.731 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.796 1.753 -7.185 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.345 3.794 -7.934 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.763 3.860 -7.120 1.00 10.00 H new ATOM 0 HG23 THR A 7 -6.026 2.722 -8.463 1.00 10.00 H new ATOM 102 N LEU A 8 -3.603 2.344 -5.799 1.00 10.00 N ATOM 103 CA LEU A 8 -2.518 3.012 -5.070 1.00 10.00 C ATOM 104 C LEU A 8 -2.034 4.270 -5.785 1.00 10.00 C ATOM 105 O LEU A 8 -1.591 4.188 -6.928 1.00 10.00 O ATOM 106 CB LEU A 8 -1.311 2.074 -4.884 1.00 10.00 C ATOM 107 CG LEU A 8 -1.585 0.735 -4.193 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.256 0.123 -3.762 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.407 0.882 -2.914 1.00 10.00 C ATOM 0 H LEU A 8 -3.334 2.049 -6.738 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.933 3.287 -4.101 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.883 1.870 -5.866 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.552 2.605 -4.310 1.00 10.00 H new ATOM 0 HG LEU A 8 -2.134 0.125 -4.910 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.438 -0.832 -3.268 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.373 -0.036 -4.638 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.249 0.798 -3.071 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.568 -0.100 -2.470 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.871 1.516 -2.208 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.369 1.336 -3.150 1.00 10.00 H new ATOM 121 N LYS A 9 -2.038 5.402 -5.078 1.00 10.00 N ATOM 122 CA LYS A 9 -1.416 6.670 -5.484 1.00 10.00 C ATOM 123 C LYS A 9 -0.060 6.828 -4.798 1.00 10.00 C ATOM 124 O LYS A 9 0.194 6.199 -3.770 1.00 10.00 O ATOM 125 CB LYS A 9 -2.320 7.851 -5.085 1.00 10.00 C ATOM 126 CG LYS A 9 -3.616 7.866 -5.897 1.00 10.00 C ATOM 127 CD LYS A 9 -4.410 9.162 -5.709 1.00 10.00 C ATOM 128 CE LYS A 9 -5.658 9.168 -6.605 1.00 10.00 C ATOM 129 NZ LYS A 9 -5.316 9.307 -8.048 1.00 10.00 N ATOM 0 H LYS A 9 -2.494 5.466 -4.168 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.281 6.662 -6.566 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.556 7.787 -4.023 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.784 8.788 -5.236 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.381 7.738 -6.954 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.235 7.018 -5.603 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.705 9.265 -4.665 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.780 10.019 -5.949 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -6.216 8.244 -6.453 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -6.312 9.988 -6.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -6.185 9.255 -8.617 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -4.852 10.224 -8.208 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.672 8.539 -8.328 1.00 10.00 H new ATOM 143 N THR A 10 0.797 7.701 -5.319 1.00 10.00 N ATOM 144 CA THR A 10 2.146 7.936 -4.771 1.00 10.00 C ATOM 145 C THR A 10 2.487 9.429 -4.697 1.00 10.00 C ATOM 146 O THR A 10 1.855 10.269 -5.345 1.00 10.00 O ATOM 147 CB THR A 10 3.236 7.191 -5.576 1.00 10.00 C ATOM 148 OG1 THR A 10 3.652 7.953 -6.685 1.00 10.00 O ATOM 149 CG2 THR A 10 2.835 5.828 -6.147 1.00 10.00 C ATOM 0 H THR A 10 0.583 8.272 -6.137 1.00 10.00 H new ATOM 0 HA THR A 10 2.131 7.536 -3.757 1.00 10.00 H new ATOM 0 HB THR A 10 4.017 7.037 -4.832 1.00 10.00 H new ATOM 0 HG1 THR A 10 4.343 7.463 -7.178 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.677 5.399 -6.691 1.00 10.00 H new ATOM 0 HG22 THR A 10 2.552 5.161 -5.332 1.00 10.00 H new ATOM 0 HG23 THR A 10 1.990 5.952 -6.825 1.00 10.00 H new ATOM 157 N LEU A 11 3.551 9.756 -3.957 1.00 10.00 N ATOM 158 CA LEU A 11 4.220 11.066 -3.958 1.00 10.00 C ATOM 159 C LEU A 11 4.858 11.485 -5.311 1.00 10.00 C ATOM 160 O LEU A 11 5.465 12.553 -5.395 1.00 10.00 O ATOM 161 CB LEU A 11 5.227 11.119 -2.787 1.00 10.00 C ATOM 162 CG LEU A 11 6.574 10.388 -2.980 1.00 10.00 C ATOM 163 CD1 LEU A 11 7.453 10.628 -1.754 1.00 10.00 C ATOM 164 CD2 LEU A 11 6.439 8.874 -3.165 1.00 10.00 C ATOM 0 H LEU A 11 3.988 9.093 -3.317 1.00 10.00 H new ATOM 0 HA LEU A 11 3.443 11.816 -3.814 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.439 12.166 -2.571 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.741 10.704 -1.904 1.00 10.00 H new ATOM 0 HG LEU A 11 7.010 10.794 -3.893 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.406 10.115 -1.883 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.630 11.697 -1.637 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.951 10.244 -0.866 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.428 8.434 -3.294 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.961 8.441 -2.286 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.832 8.668 -4.047 1.00 10.00 H new ATOM 176 N GLN A 12 4.724 10.669 -6.364 1.00 10.00 N ATOM 177 CA GLN A 12 5.259 10.882 -7.718 1.00 10.00 C ATOM 178 C GLN A 12 4.135 10.938 -8.781 1.00 10.00 C ATOM 179 O GLN A 12 4.311 10.488 -9.919 1.00 10.00 O ATOM 180 CB GLN A 12 6.335 9.822 -8.038 1.00 10.00 C ATOM 181 CG GLN A 12 7.528 9.786 -7.065 1.00 10.00 C ATOM 182 CD GLN A 12 8.363 11.072 -7.031 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.352 11.900 -7.933 1.00 10.00 O ATOM 184 NE2 GLN A 12 9.140 11.284 -5.988 1.00 10.00 N ATOM 0 H GLN A 12 4.210 9.791 -6.291 1.00 10.00 H new ATOM 0 HA GLN A 12 5.742 11.859 -7.750 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.863 8.839 -8.046 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.713 10.003 -9.044 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.155 9.584 -6.061 1.00 10.00 H new ATOM 0 HG3 GLN A 12 8.177 8.954 -7.337 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.165 10.608 -5.225 1.00 10.00 H new ATOM 0 HE22 GLN A 12 9.716 12.124 -5.944 1.00 10.00 H new ATOM 193 N GLN A 13 2.982 11.511 -8.406 1.00 10.00 N ATOM 194 CA GLN A 13 1.900 11.977 -9.299 1.00 10.00 C ATOM 195 C GLN A 13 1.350 10.907 -10.271 1.00 10.00 C ATOM 196 O GLN A 13 1.094 11.180 -11.448 1.00 10.00 O ATOM 197 CB GLN A 13 2.341 13.274 -10.011 1.00 10.00 C ATOM 198 CG GLN A 13 2.745 14.403 -9.048 1.00 10.00 C ATOM 199 CD GLN A 13 3.172 15.657 -9.808 1.00 10.00 C ATOM 200 OE1 GLN A 13 2.389 16.563 -10.068 1.00 10.00 O ATOM 201 NE2 GLN A 13 4.427 15.760 -10.204 1.00 10.00 N ATOM 0 H GLN A 13 2.764 11.672 -7.423 1.00 10.00 H new ATOM 0 HA GLN A 13 1.039 12.194 -8.667 1.00 10.00 H new ATOM 0 HB2 GLN A 13 3.182 13.050 -10.667 1.00 10.00 H new ATOM 0 HB3 GLN A 13 1.527 13.624 -10.646 1.00 10.00 H new ATOM 0 HG2 GLN A 13 1.908 14.641 -8.392 1.00 10.00 H new ATOM 0 HG3 GLN A 13 3.563 14.065 -8.411 1.00 10.00 H new ATOM 0 HE21 GLN A 13 5.091 15.014 -9.995 1.00 10.00 H new ATOM 0 HE22 GLN A 13 4.733 16.586 -10.719 1.00 10.00 H new ATOM 210 N GLN A 14 1.194 9.671 -9.790 1.00 10.00 N ATOM 211 CA GLN A 14 0.744 8.501 -10.556 1.00 10.00 C ATOM 212 C GLN A 14 -0.198 7.621 -9.720 1.00 10.00 C ATOM 213 O GLN A 14 -0.209 7.723 -8.489 1.00 10.00 O ATOM 214 CB GLN A 14 1.978 7.723 -11.059 1.00 10.00 C ATOM 215 CG GLN A 14 2.875 7.187 -9.927 1.00 10.00 C ATOM 216 CD GLN A 14 4.244 6.754 -10.435 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.542 5.574 -10.586 1.00 10.00 O ATOM 218 NE2 GLN A 14 5.131 7.688 -10.705 1.00 10.00 N ATOM 0 H GLN A 14 1.386 9.446 -8.814 1.00 10.00 H new ATOM 0 HA GLN A 14 0.168 8.829 -11.421 1.00 10.00 H new ATOM 0 HB2 GLN A 14 1.644 6.887 -11.673 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.570 8.374 -11.702 1.00 10.00 H new ATOM 0 HG2 GLN A 14 2.999 7.959 -9.167 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.384 6.341 -9.446 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.890 8.671 -10.582 1.00 10.00 H new ATOM 0 HE22 GLN A 14 6.060 7.429 -11.038 1.00 10.00 H new ATOM 227 N THR A 15 -0.943 6.729 -10.379 1.00 10.00 N ATOM 228 CA THR A 15 -1.823 5.743 -9.722 1.00 10.00 C ATOM 229 C THR A 15 -1.730 4.372 -10.409 1.00 10.00 C ATOM 230 O THR A 15 -1.603 4.303 -11.634 1.00 10.00 O ATOM 231 CB THR A 15 -3.298 6.198 -9.696 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.449 7.592 -9.497 1.00 10.00 O ATOM 233 CG2 THR A 15 -4.071 5.527 -8.565 1.00 10.00 C ATOM 0 H THR A 15 -0.956 6.666 -11.397 1.00 10.00 H new ATOM 0 HA THR A 15 -1.472 5.660 -8.693 1.00 10.00 H new ATOM 0 HB THR A 15 -3.685 5.915 -10.675 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.170 7.928 -10.069 1.00 10.00 H new ATOM 0 HG21 THR A 15 -5.105 5.871 -8.577 1.00 10.00 H new ATOM 0 HG22 THR A 15 -4.046 4.446 -8.699 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.614 5.784 -7.609 1.00 10.00 H new ATOM 241 N PHE A 16 -1.811 3.278 -9.642 1.00 10.00 N ATOM 242 CA PHE A 16 -1.755 1.892 -10.131 1.00 10.00 C ATOM 243 C PHE A 16 -2.702 0.953 -9.365 1.00 10.00 C ATOM 244 O PHE A 16 -3.397 1.366 -8.437 1.00 10.00 O ATOM 245 CB PHE A 16 -0.303 1.381 -10.147 1.00 10.00 C ATOM 246 CG PHE A 16 0.402 1.275 -8.806 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.058 2.408 -8.284 1.00 10.00 C ATOM 248 CD2 PHE A 16 0.482 0.045 -8.118 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.810 2.308 -7.101 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.283 -0.060 -6.972 1.00 10.00 C ATOM 251 CZ PHE A 16 1.944 1.068 -6.459 1.00 10.00 C ATOM 0 H PHE A 16 -1.921 3.334 -8.629 1.00 10.00 H new ATOM 0 HA PHE A 16 -2.118 1.892 -11.159 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -0.295 0.396 -10.613 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.282 2.041 -10.787 1.00 10.00 H new ATOM 0 HD1 PHE A 16 0.982 3.356 -8.795 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -0.072 -0.812 -8.473 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.284 3.185 -6.686 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.392 -1.015 -6.480 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.554 0.981 -5.572 1.00 10.00 H new ATOM 261 N LYS A 17 -2.764 -0.308 -9.796 1.00 10.00 N ATOM 262 CA LYS A 17 -3.687 -1.363 -9.364 1.00 10.00 C ATOM 263 C LYS A 17 -2.885 -2.630 -9.062 1.00 10.00 C ATOM 264 O LYS A 17 -2.119 -3.088 -9.913 1.00 10.00 O ATOM 265 CB LYS A 17 -4.681 -1.680 -10.504 1.00 10.00 C ATOM 266 CG LYS A 17 -5.492 -0.504 -11.067 1.00 10.00 C ATOM 267 CD LYS A 17 -6.544 0.002 -10.081 1.00 10.00 C ATOM 268 CE LYS A 17 -7.392 1.086 -10.761 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.640 1.358 -10.006 1.00 10.00 N ATOM 0 H LYS A 17 -2.121 -0.646 -10.512 1.00 10.00 H new ATOM 0 HA LYS A 17 -4.228 -1.030 -8.479 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.123 -2.131 -11.325 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.382 -2.433 -10.143 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.815 0.311 -11.323 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.982 -0.813 -11.990 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -7.179 -0.821 -9.754 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.061 0.406 -9.191 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -6.810 2.004 -10.846 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.641 0.772 -11.775 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.967 2.323 -10.212 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -9.373 0.676 -10.289 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -8.456 1.265 -8.987 1.00 10.00 H new ATOM 283 N ILE A 18 -3.058 -3.191 -7.871 1.00 10.00 N ATOM 284 CA ILE A 18 -2.391 -4.417 -7.413 1.00 10.00 C ATOM 285 C ILE A 18 -3.345 -5.309 -6.607 1.00 10.00 C ATOM 286 O ILE A 18 -4.406 -4.852 -6.188 1.00 10.00 O ATOM 287 CB ILE A 18 -1.116 -4.079 -6.603 1.00 10.00 C ATOM 288 CG1 ILE A 18 -1.132 -2.811 -5.727 1.00 10.00 C ATOM 289 CG2 ILE A 18 0.090 -3.991 -7.550 1.00 10.00 C ATOM 290 CD1 ILE A 18 -2.230 -2.868 -4.670 1.00 10.00 C ATOM 0 H ILE A 18 -3.686 -2.797 -7.170 1.00 10.00 H new ATOM 0 HA ILE A 18 -2.089 -4.982 -8.295 1.00 10.00 H new ATOM 0 HB ILE A 18 -1.055 -4.903 -5.892 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.164 -2.693 -5.240 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -1.280 -1.935 -6.358 1.00 10.00 H new ATOM 0 HG21 ILE A 18 0.986 -3.753 -6.977 1.00 10.00 H new ATOM 0 HG22 ILE A 18 0.226 -4.947 -8.056 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.085 -3.211 -8.291 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -2.208 -1.956 -4.073 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -3.200 -2.959 -5.158 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -2.067 -3.729 -4.022 1.00 10.00 H new ATOM 302 N ASP A 19 -2.974 -6.571 -6.371 1.00 10.00 N ATOM 303 CA ASP A 19 -3.775 -7.549 -5.626 1.00 10.00 C ATOM 304 C ASP A 19 -2.918 -8.433 -4.702 1.00 10.00 C ATOM 305 O ASP A 19 -1.842 -8.896 -5.089 1.00 10.00 O ATOM 306 CB ASP A 19 -4.631 -8.393 -6.585 1.00 10.00 C ATOM 307 CG ASP A 19 -3.823 -9.361 -7.470 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.170 -8.908 -8.442 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.881 -10.590 -7.226 1.00 10.00 O ATOM 0 H ASP A 19 -2.087 -6.951 -6.701 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.445 -6.989 -4.974 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.350 -8.967 -6.001 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.203 -7.724 -7.227 1.00 10.00 H new ATOM 314 N ILE A 20 -3.398 -8.640 -3.473 1.00 10.00 N ATOM 315 CA ILE A 20 -2.764 -9.416 -2.391 1.00 10.00 C ATOM 316 C ILE A 20 -3.831 -10.138 -1.543 1.00 10.00 C ATOM 317 O ILE A 20 -5.024 -9.865 -1.672 1.00 10.00 O ATOM 318 CB ILE A 20 -1.846 -8.535 -1.494 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.578 -7.585 -0.513 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.774 -7.766 -2.294 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.607 -6.622 -1.122 1.00 10.00 C ATOM 0 H ILE A 20 -4.294 -8.248 -3.184 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.126 -10.164 -2.861 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.348 -9.275 -0.868 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.084 -8.194 0.236 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.827 -6.993 0.011 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.167 -7.171 -1.611 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.136 -8.475 -2.822 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.260 -7.108 -3.015 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.047 -6.013 -0.332 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -3.115 -5.975 -1.848 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.391 -7.194 -1.619 1.00 10.00 H new ATOM 333 N ASP A 21 -3.435 -11.044 -0.648 1.00 10.00 N ATOM 334 CA ASP A 21 -4.347 -11.645 0.342 1.00 10.00 C ATOM 335 C ASP A 21 -4.828 -10.581 1.369 1.00 10.00 C ATOM 336 O ASP A 21 -3.988 -10.008 2.074 1.00 10.00 O ATOM 337 CB ASP A 21 -3.619 -12.818 1.017 1.00 10.00 C ATOM 338 CG ASP A 21 -4.503 -13.649 1.966 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.394 -13.083 2.641 1.00 10.00 O ATOM 340 OD2 ASP A 21 -4.288 -14.883 2.049 1.00 10.00 O ATOM 0 H ASP A 21 -2.476 -11.385 -0.584 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.245 -12.022 -0.149 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.218 -13.474 0.245 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -2.769 -12.429 1.578 1.00 10.00 H new ATOM 345 N PRO A 22 -6.142 -10.292 1.494 1.00 10.00 N ATOM 346 CA PRO A 22 -6.656 -9.248 2.392 1.00 10.00 C ATOM 347 C PRO A 22 -6.491 -9.543 3.894 1.00 10.00 C ATOM 348 O PRO A 22 -6.669 -8.639 4.713 1.00 10.00 O ATOM 349 CB PRO A 22 -8.134 -9.079 2.022 1.00 10.00 C ATOM 350 CG PRO A 22 -8.516 -10.448 1.466 1.00 10.00 C ATOM 351 CD PRO A 22 -7.242 -10.895 0.753 1.00 10.00 C ATOM 0 HA PRO A 22 -6.073 -8.338 2.250 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -8.738 -8.815 2.890 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -8.276 -8.291 1.283 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -8.800 -11.141 2.258 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.361 -10.384 0.781 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.159 -11.982 0.745 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.240 -10.567 -0.287 1.00 10.00 H new ATOM 359 N GLU A 23 -6.149 -10.773 4.281 1.00 10.00 N ATOM 360 CA GLU A 23 -5.854 -11.149 5.672 1.00 10.00 C ATOM 361 C GLU A 23 -4.354 -11.058 6.024 1.00 10.00 C ATOM 362 O GLU A 23 -3.990 -11.253 7.186 1.00 10.00 O ATOM 363 CB GLU A 23 -6.415 -12.551 5.980 1.00 10.00 C ATOM 364 CG GLU A 23 -7.938 -12.626 5.799 1.00 10.00 C ATOM 365 CD GLU A 23 -8.494 -13.959 6.335 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.811 -14.041 7.549 1.00 10.00 O ATOM 367 OE2 GLU A 23 -8.634 -14.932 5.553 1.00 10.00 O ATOM 0 H GLU A 23 -6.067 -11.552 3.628 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.354 -10.418 6.308 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -5.938 -13.282 5.327 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.160 -12.824 7.004 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -8.411 -11.795 6.321 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -8.188 -12.522 4.743 1.00 10.00 H new ATOM 374 N GLU A 24 -3.475 -10.724 5.070 1.00 10.00 N ATOM 375 CA GLU A 24 -2.097 -10.308 5.379 1.00 10.00 C ATOM 376 C GLU A 24 -2.057 -8.859 5.891 1.00 10.00 C ATOM 377 O GLU A 24 -3.004 -8.088 5.707 1.00 10.00 O ATOM 378 CB GLU A 24 -1.194 -10.450 4.141 1.00 10.00 C ATOM 379 CG GLU A 24 -0.909 -11.912 3.770 1.00 10.00 C ATOM 380 CD GLU A 24 -0.115 -12.670 4.856 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.894 -12.133 5.377 1.00 10.00 O ATOM 382 OE2 GLU A 24 -0.488 -13.820 5.192 1.00 10.00 O ATOM 0 H GLU A 24 -3.693 -10.733 4.074 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.724 -10.964 6.166 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -1.667 -9.952 3.295 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.250 -9.937 4.326 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -1.854 -12.426 3.594 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.351 -11.941 2.834 1.00 10.00 H new ATOM 389 N THR A 25 -0.955 -8.470 6.539 1.00 10.00 N ATOM 390 CA THR A 25 -0.731 -7.090 6.996 1.00 10.00 C ATOM 391 C THR A 25 -0.282 -6.170 5.858 1.00 10.00 C ATOM 392 O THR A 25 0.073 -6.617 4.762 1.00 10.00 O ATOM 393 CB THR A 25 0.282 -7.023 8.153 1.00 10.00 C ATOM 394 OG1 THR A 25 1.566 -7.377 7.701 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.073 -7.948 9.318 1.00 10.00 C ATOM 0 H THR A 25 -0.188 -9.104 6.764 1.00 10.00 H new ATOM 0 HA THR A 25 -1.695 -6.736 7.361 1.00 10.00 H new ATOM 0 HB THR A 25 0.256 -5.993 8.509 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.241 -6.902 8.229 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.680 -7.853 10.100 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.048 -7.671 9.718 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.104 -8.980 8.967 1.00 10.00 H new ATOM 403 N VAL A 26 -0.241 -4.863 6.134 1.00 10.00 N ATOM 404 CA VAL A 26 0.335 -3.843 5.226 1.00 10.00 C ATOM 405 C VAL A 26 1.745 -4.203 4.750 1.00 10.00 C ATOM 406 O VAL A 26 2.086 -3.884 3.614 1.00 10.00 O ATOM 407 CB VAL A 26 0.347 -2.447 5.877 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.837 -1.337 4.939 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.052 -2.043 6.336 1.00 10.00 C ATOM 0 H VAL A 26 -0.608 -4.470 7.001 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.316 -3.822 4.352 1.00 10.00 H new ATOM 0 HB VAL A 26 1.038 -2.541 6.715 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.819 -0.382 5.464 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.856 -1.555 4.618 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.185 -1.284 4.067 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.014 -1.054 6.792 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.724 -2.022 5.478 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.418 -2.765 7.066 1.00 10.00 H new ATOM 419 N LYS A 27 2.536 -4.942 5.542 1.00 10.00 N ATOM 420 CA LYS A 27 3.881 -5.409 5.167 1.00 10.00 C ATOM 421 C LYS A 27 3.896 -6.152 3.824 1.00 10.00 C ATOM 422 O LYS A 27 4.774 -5.896 3.006 1.00 10.00 O ATOM 423 CB LYS A 27 4.435 -6.258 6.325 1.00 10.00 C ATOM 424 CG LYS A 27 5.946 -6.507 6.239 1.00 10.00 C ATOM 425 CD LYS A 27 6.427 -7.214 7.519 1.00 10.00 C ATOM 426 CE LYS A 27 7.950 -7.392 7.585 1.00 10.00 C ATOM 427 NZ LYS A 27 8.453 -8.390 6.608 1.00 10.00 N ATOM 0 H LYS A 27 2.255 -5.237 6.477 1.00 10.00 H new ATOM 0 HA LYS A 27 4.532 -4.549 5.009 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.211 -5.760 7.268 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.918 -7.217 6.340 1.00 10.00 H new ATOM 0 HG2 LYS A 27 6.175 -7.118 5.366 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.474 -5.562 6.113 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.098 -6.641 8.386 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.952 -8.193 7.584 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.432 -6.432 7.399 1.00 10.00 H new ATOM 0 HE3 LYS A 27 8.232 -7.701 8.592 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 9.476 -8.521 6.741 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.966 -9.297 6.756 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 8.270 -8.052 5.641 1.00 10.00 H new ATOM 441 N ALA A 28 2.895 -6.991 3.545 1.00 10.00 N ATOM 442 CA ALA A 28 2.753 -7.693 2.264 1.00 10.00 C ATOM 443 C ALA A 28 2.454 -6.738 1.088 1.00 10.00 C ATOM 444 O ALA A 28 3.137 -6.768 0.062 1.00 10.00 O ATOM 445 CB ALA A 28 1.643 -8.739 2.422 1.00 10.00 C ATOM 0 H ALA A 28 2.151 -7.205 4.209 1.00 10.00 H new ATOM 0 HA ALA A 28 3.701 -8.172 2.017 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.515 -9.278 1.483 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.915 -9.442 3.210 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.709 -8.242 2.686 1.00 10.00 H new ATOM 451 N LEU A 29 1.467 -5.850 1.255 1.00 10.00 N ATOM 452 CA LEU A 29 1.066 -4.823 0.295 1.00 10.00 C ATOM 453 C LEU A 29 2.194 -3.805 0.025 1.00 10.00 C ATOM 454 O LEU A 29 2.311 -3.276 -1.079 1.00 10.00 O ATOM 455 CB LEU A 29 -0.209 -4.182 0.885 1.00 10.00 C ATOM 456 CG LEU A 29 -0.664 -2.884 0.215 1.00 10.00 C ATOM 457 CD1 LEU A 29 -1.059 -3.097 -1.248 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.865 -2.277 0.936 1.00 10.00 C ATOM 0 H LEU A 29 0.902 -5.830 2.104 1.00 10.00 H new ATOM 0 HA LEU A 29 0.862 -5.247 -0.688 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.021 -4.906 0.823 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.039 -3.984 1.943 1.00 10.00 H new ATOM 0 HG LEU A 29 0.191 -2.209 0.267 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -1.375 -2.148 -1.681 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.204 -3.483 -1.803 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.880 -3.812 -1.303 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -2.163 -1.356 0.435 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.695 -2.984 0.920 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.596 -2.057 1.969 1.00 10.00 H new ATOM 470 N LYS A 30 3.025 -3.518 1.028 1.00 10.00 N ATOM 471 CA LYS A 30 4.158 -2.594 0.957 1.00 10.00 C ATOM 472 C LYS A 30 5.421 -3.206 0.346 1.00 10.00 C ATOM 473 O LYS A 30 6.096 -2.548 -0.442 1.00 10.00 O ATOM 474 CB LYS A 30 4.329 -2.014 2.373 1.00 10.00 C ATOM 475 CG LYS A 30 5.429 -0.953 2.510 1.00 10.00 C ATOM 476 CD LYS A 30 6.704 -1.530 3.136 1.00 10.00 C ATOM 477 CE LYS A 30 6.562 -1.792 4.644 1.00 10.00 C ATOM 478 NZ LYS A 30 6.670 -0.550 5.456 1.00 10.00 N ATOM 0 H LYS A 30 2.923 -3.941 1.951 1.00 10.00 H new ATOM 0 HA LYS A 30 3.958 -1.785 0.254 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.381 -1.576 2.687 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.546 -2.832 3.061 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.661 -0.541 1.528 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.064 -0.129 3.123 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.961 -2.462 2.633 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.530 -0.839 2.968 1.00 10.00 H new ATOM 0 HE2 LYS A 30 5.599 -2.265 4.837 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.332 -2.496 4.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 6.385 -0.750 6.436 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 7.653 -0.212 5.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 6.048 0.181 5.057 1.00 10.00 H new ATOM 492 N GLU A 31 5.725 -4.468 0.643 1.00 10.00 N ATOM 493 CA GLU A 31 6.836 -5.189 0.004 1.00 10.00 C ATOM 494 C GLU A 31 6.619 -5.400 -1.500 1.00 10.00 C ATOM 495 O GLU A 31 7.554 -5.227 -2.283 1.00 10.00 O ATOM 496 CB GLU A 31 7.061 -6.544 0.691 1.00 10.00 C ATOM 497 CG GLU A 31 7.805 -6.377 2.023 1.00 10.00 C ATOM 498 CD GLU A 31 7.954 -7.692 2.818 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.595 -8.791 2.326 1.00 10.00 O ATOM 500 OE2 GLU A 31 8.464 -7.634 3.962 1.00 10.00 O ATOM 0 H GLU A 31 5.213 -5.022 1.330 1.00 10.00 H new ATOM 0 HA GLU A 31 7.722 -4.564 0.120 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.101 -7.029 0.867 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.633 -7.198 0.032 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.796 -5.967 1.827 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.274 -5.649 2.637 1.00 10.00 H new ATOM 507 N LYS A 32 5.393 -5.744 -1.926 1.00 10.00 N ATOM 508 CA LYS A 32 5.124 -6.139 -3.314 1.00 10.00 C ATOM 509 C LYS A 32 5.332 -5.027 -4.352 1.00 10.00 C ATOM 510 O LYS A 32 5.602 -5.343 -5.510 1.00 10.00 O ATOM 511 CB LYS A 32 3.723 -6.771 -3.380 1.00 10.00 C ATOM 512 CG LYS A 32 2.571 -5.751 -3.369 1.00 10.00 C ATOM 513 CD LYS A 32 2.057 -5.290 -4.748 1.00 10.00 C ATOM 514 CE LYS A 32 1.691 -6.446 -5.696 1.00 10.00 C ATOM 515 NZ LYS A 32 2.755 -6.696 -6.705 1.00 10.00 N ATOM 0 H LYS A 32 4.570 -5.756 -1.324 1.00 10.00 H new ATOM 0 HA LYS A 32 5.874 -6.877 -3.601 1.00 10.00 H new ATOM 0 HB2 LYS A 32 3.651 -7.374 -4.285 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.602 -7.449 -2.535 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.735 -6.184 -2.819 1.00 10.00 H new ATOM 0 HG3 LYS A 32 2.897 -4.872 -2.813 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.180 -4.659 -4.605 1.00 10.00 H new ATOM 0 HD3 LYS A 32 2.820 -4.673 -5.222 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.522 -7.352 -5.115 1.00 10.00 H new ATOM 0 HE3 LYS A 32 0.755 -6.215 -6.205 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 2.628 -7.643 -7.116 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 2.695 -5.981 -7.458 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 3.687 -6.639 -6.248 1.00 10.00 H new ATOM 529 N ILE A 33 5.193 -3.749 -3.974 1.00 10.00 N ATOM 530 CA ILE A 33 5.398 -2.609 -4.889 1.00 10.00 C ATOM 531 C ILE A 33 6.880 -2.260 -5.078 1.00 10.00 C ATOM 532 O ILE A 33 7.262 -1.785 -6.147 1.00 10.00 O ATOM 533 CB ILE A 33 4.536 -1.381 -4.509 1.00 10.00 C ATOM 534 CG1 ILE A 33 5.030 -0.551 -3.303 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.074 -1.801 -4.280 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.939 0.614 -3.720 1.00 10.00 C ATOM 0 H ILE A 33 4.935 -3.472 -3.027 1.00 10.00 H new ATOM 0 HA ILE A 33 5.042 -2.936 -5.866 1.00 10.00 H new ATOM 0 HB ILE A 33 4.629 -0.716 -5.368 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.170 -0.159 -2.760 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.572 -1.202 -2.616 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.481 -0.926 -4.014 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.676 -2.245 -5.192 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.027 -2.530 -3.471 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.257 1.163 -2.834 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.815 0.224 -4.239 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.392 1.283 -4.384 1.00 10.00 H new ATOM 548 N GLU A 34 7.747 -2.558 -4.100 1.00 10.00 N ATOM 549 CA GLU A 34 9.205 -2.456 -4.282 1.00 10.00 C ATOM 550 C GLU A 34 9.697 -3.402 -5.394 1.00 10.00 C ATOM 551 O GLU A 34 10.590 -3.042 -6.160 1.00 10.00 O ATOM 552 CB GLU A 34 9.944 -2.732 -2.959 1.00 10.00 C ATOM 553 CG GLU A 34 11.436 -2.369 -3.034 1.00 10.00 C ATOM 554 CD GLU A 34 12.204 -2.820 -1.780 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.553 -4.021 -1.682 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.498 -1.970 -0.908 1.00 10.00 O ATOM 0 H GLU A 34 7.464 -2.873 -3.172 1.00 10.00 H new ATOM 0 HA GLU A 34 9.431 -1.435 -4.591 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.474 -2.162 -2.158 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.842 -3.786 -2.702 1.00 10.00 H new ATOM 0 HG2 GLU A 34 11.878 -2.833 -3.916 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.541 -1.291 -3.155 1.00 10.00 H new ATOM 563 N SER A 35 9.065 -4.571 -5.562 1.00 10.00 N ATOM 564 CA SER A 35 9.356 -5.496 -6.672 1.00 10.00 C ATOM 565 C SER A 35 9.055 -4.906 -8.062 1.00 10.00 C ATOM 566 O SER A 35 9.617 -5.361 -9.060 1.00 10.00 O ATOM 567 CB SER A 35 8.562 -6.801 -6.512 1.00 10.00 C ATOM 568 OG SER A 35 8.738 -7.368 -5.221 1.00 10.00 O ATOM 0 H SER A 35 8.336 -4.905 -4.932 1.00 10.00 H new ATOM 0 HA SER A 35 10.428 -5.686 -6.618 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.503 -6.606 -6.683 1.00 10.00 H new ATOM 0 HB3 SER A 35 8.881 -7.516 -7.270 1.00 10.00 H new ATOM 0 HG SER A 35 8.218 -8.196 -5.154 1.00 10.00 H new ATOM 574 N GLU A 36 8.174 -3.901 -8.146 1.00 10.00 N ATOM 575 CA GLU A 36 7.756 -3.244 -9.396 1.00 10.00 C ATOM 576 C GLU A 36 8.447 -1.893 -9.654 1.00 10.00 C ATOM 577 O GLU A 36 8.708 -1.551 -10.811 1.00 10.00 O ATOM 578 CB GLU A 36 6.235 -3.045 -9.367 1.00 10.00 C ATOM 579 CG GLU A 36 5.492 -4.385 -9.479 1.00 10.00 C ATOM 580 CD GLU A 36 3.967 -4.195 -9.436 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.387 -3.638 -10.400 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.339 -4.643 -8.446 1.00 10.00 O ATOM 0 H GLU A 36 7.717 -3.509 -7.322 1.00 10.00 H new ATOM 0 HA GLU A 36 8.058 -3.899 -10.213 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.950 -2.545 -8.441 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.936 -2.392 -10.187 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.771 -4.879 -10.410 1.00 10.00 H new ATOM 0 HG3 GLU A 36 5.800 -5.041 -8.665 1.00 10.00 H new ATOM 589 N LYS A 37 8.746 -1.125 -8.594 1.00 10.00 N ATOM 590 CA LYS A 37 9.216 0.278 -8.675 1.00 10.00 C ATOM 591 C LYS A 37 10.578 0.531 -8.012 1.00 10.00 C ATOM 592 O LYS A 37 11.166 1.595 -8.209 1.00 10.00 O ATOM 593 CB LYS A 37 8.131 1.211 -8.110 1.00 10.00 C ATOM 594 CG LYS A 37 6.831 1.161 -8.928 1.00 10.00 C ATOM 595 CD LYS A 37 5.787 2.129 -8.356 1.00 10.00 C ATOM 596 CE LYS A 37 4.481 2.106 -9.162 1.00 10.00 C ATOM 597 NZ LYS A 37 4.622 2.727 -10.506 1.00 10.00 N ATOM 0 H LYS A 37 8.668 -1.464 -7.635 1.00 10.00 H new ATOM 0 HA LYS A 37 9.384 0.495 -9.730 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.918 0.933 -7.078 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.508 2.234 -8.094 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.040 1.417 -9.967 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.433 0.146 -8.924 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.578 1.866 -7.319 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.193 3.140 -8.353 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.148 1.074 -9.277 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.706 2.631 -8.604 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.843 2.411 -11.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.592 3.763 -10.415 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.530 2.443 -10.926 1.00 10.00 H new ATOM 611 N GLY A 38 11.105 -0.460 -7.295 1.00 10.00 N ATOM 612 CA GLY A 38 12.515 -0.577 -6.906 1.00 10.00 C ATOM 613 C GLY A 38 12.894 0.036 -5.551 1.00 10.00 C ATOM 614 O GLY A 38 12.348 1.055 -5.116 1.00 10.00 O ATOM 0 H GLY A 38 10.540 -1.237 -6.953 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.780 -1.634 -6.891 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.124 -0.107 -7.678 1.00 10.00 H new ATOM 618 N LYS A 39 13.912 -0.565 -4.915 1.00 10.00 N ATOM 619 CA LYS A 39 14.604 -0.097 -3.701 1.00 10.00 C ATOM 620 C LYS A 39 15.091 1.356 -3.805 1.00 10.00 C ATOM 621 O LYS A 39 15.109 2.085 -2.817 1.00 10.00 O ATOM 622 CB LYS A 39 15.789 -1.064 -3.488 1.00 10.00 C ATOM 623 CG LYS A 39 16.656 -0.805 -2.247 1.00 10.00 C ATOM 624 CD LYS A 39 15.926 -1.034 -0.915 1.00 10.00 C ATOM 625 CE LYS A 39 15.528 -2.497 -0.670 1.00 10.00 C ATOM 626 NZ LYS A 39 16.697 -3.380 -0.415 1.00 10.00 N ATOM 0 H LYS A 39 14.299 -1.445 -5.255 1.00 10.00 H new ATOM 0 HA LYS A 39 13.915 -0.099 -2.856 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.397 -2.079 -3.427 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.429 -1.022 -4.369 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.531 -1.454 -2.286 1.00 10.00 H new ATOM 0 HG3 LYS A 39 17.019 0.222 -2.278 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.566 -0.700 -0.098 1.00 10.00 H new ATOM 0 HD3 LYS A 39 15.029 -0.414 -0.891 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.850 -2.546 0.182 1.00 10.00 H new ATOM 0 HE3 LYS A 39 14.980 -2.869 -1.536 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.368 -4.354 -0.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 17.334 -3.359 -1.237 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 17.207 -3.046 0.427 1.00 10.00 H new ATOM 640 N ASP A 40 15.464 1.775 -5.011 1.00 10.00 N ATOM 641 CA ASP A 40 15.989 3.106 -5.340 1.00 10.00 C ATOM 642 C ASP A 40 14.952 4.248 -5.281 1.00 10.00 C ATOM 643 O ASP A 40 15.340 5.419 -5.258 1.00 10.00 O ATOM 644 CB ASP A 40 16.644 3.047 -6.726 1.00 10.00 C ATOM 645 CG ASP A 40 15.650 2.700 -7.849 1.00 10.00 C ATOM 646 OD1 ASP A 40 15.250 1.515 -7.943 1.00 10.00 O ATOM 647 OD2 ASP A 40 15.286 3.601 -8.639 1.00 10.00 O ATOM 0 H ASP A 40 15.407 1.169 -5.829 1.00 10.00 H new ATOM 0 HA ASP A 40 16.716 3.354 -4.566 1.00 10.00 H new ATOM 0 HB2 ASP A 40 17.107 4.009 -6.944 1.00 10.00 H new ATOM 0 HB3 ASP A 40 17.442 2.305 -6.713 1.00 10.00 H new ATOM 652 N ALA A 41 13.654 3.926 -5.227 1.00 10.00 N ATOM 653 CA ALA A 41 12.559 4.905 -5.209 1.00 10.00 C ATOM 654 C ALA A 41 11.480 4.639 -4.137 1.00 10.00 C ATOM 655 O ALA A 41 10.861 5.590 -3.658 1.00 10.00 O ATOM 656 CB ALA A 41 11.944 4.964 -6.613 1.00 10.00 C ATOM 0 H ALA A 41 13.329 2.960 -5.194 1.00 10.00 H new ATOM 0 HA ALA A 41 12.985 5.868 -4.928 1.00 10.00 H new ATOM 0 HB1 ALA A 41 11.127 5.686 -6.623 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.705 5.268 -7.331 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.561 3.980 -6.884 1.00 10.00 H new ATOM 662 N PHE A 42 11.285 3.381 -3.718 1.00 10.00 N ATOM 663 CA PHE A 42 10.284 2.969 -2.722 1.00 10.00 C ATOM 664 C PHE A 42 10.854 1.930 -1.723 1.00 10.00 C ATOM 665 O PHE A 42 10.346 0.808 -1.636 1.00 10.00 O ATOM 666 CB PHE A 42 9.017 2.478 -3.447 1.00 10.00 C ATOM 667 CG PHE A 42 8.299 3.538 -4.264 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.328 4.361 -3.662 1.00 10.00 C ATOM 669 CD2 PHE A 42 8.614 3.716 -5.625 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.690 5.364 -4.414 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.973 4.716 -6.377 1.00 10.00 C ATOM 672 CZ PHE A 42 7.011 5.543 -5.771 1.00 10.00 C ATOM 0 H PHE A 42 11.835 2.599 -4.073 1.00 10.00 H new ATOM 0 HA PHE A 42 10.010 3.829 -2.111 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.289 1.654 -4.106 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.324 2.079 -2.707 1.00 10.00 H new ATOM 0 HD1 PHE A 42 7.073 4.222 -2.622 1.00 10.00 H new ATOM 0 HD2 PHE A 42 9.352 3.081 -6.093 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.951 5.999 -3.947 1.00 10.00 H new ATOM 0 HE2 PHE A 42 8.220 4.849 -7.420 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.520 6.314 -6.346 1.00 10.00 H new ATOM 682 N PRO A 43 11.923 2.265 -0.970 1.00 10.00 N ATOM 683 CA PRO A 43 12.585 1.343 -0.044 1.00 10.00 C ATOM 684 C PRO A 43 11.657 0.890 1.091 1.00 10.00 C ATOM 685 O PRO A 43 11.151 1.721 1.845 1.00 10.00 O ATOM 686 CB PRO A 43 13.817 2.086 0.484 1.00 10.00 C ATOM 687 CG PRO A 43 13.428 3.552 0.341 1.00 10.00 C ATOM 688 CD PRO A 43 12.558 3.574 -0.910 1.00 10.00 C ATOM 0 HA PRO A 43 12.869 0.422 -0.552 1.00 10.00 H new ATOM 0 HB2 PRO A 43 14.031 1.825 1.521 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.709 1.848 -0.095 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.882 3.909 1.215 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.305 4.190 0.230 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.814 4.368 -0.856 1.00 10.00 H new ATOM 0 HD3 PRO A 43 13.158 3.760 -1.801 1.00 10.00 H new ATOM 696 N VAL A 44 11.451 -0.422 1.250 1.00 10.00 N ATOM 697 CA VAL A 44 10.548 -1.033 2.255 1.00 10.00 C ATOM 698 C VAL A 44 10.798 -0.551 3.690 1.00 10.00 C ATOM 699 O VAL A 44 9.846 -0.265 4.419 1.00 10.00 O ATOM 700 CB VAL A 44 10.618 -2.573 2.153 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.087 -3.331 3.378 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.792 -3.022 0.946 1.00 10.00 C ATOM 0 H VAL A 44 11.919 -1.117 0.669 1.00 10.00 H new ATOM 0 HA VAL A 44 9.538 -0.699 2.018 1.00 10.00 H new ATOM 0 HB VAL A 44 11.678 -2.812 2.068 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.179 -4.404 3.210 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.666 -3.051 4.258 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.039 -3.077 3.537 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.832 -4.108 0.861 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.757 -2.706 1.076 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.198 -2.572 0.040 1.00 10.00 H new ATOM 712 N ALA A 45 12.067 -0.401 4.078 1.00 10.00 N ATOM 713 CA ALA A 45 12.489 0.102 5.389 1.00 10.00 C ATOM 714 C ALA A 45 12.150 1.588 5.647 1.00 10.00 C ATOM 715 O ALA A 45 12.271 2.063 6.778 1.00 10.00 O ATOM 716 CB ALA A 45 14.001 -0.117 5.496 1.00 10.00 C ATOM 0 H ALA A 45 12.853 -0.633 3.471 1.00 10.00 H new ATOM 0 HA ALA A 45 11.934 -0.448 6.149 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.354 0.246 6.461 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.222 -1.181 5.405 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.505 0.427 4.697 1.00 10.00 H new ATOM 722 N GLY A 46 11.750 2.326 4.607 1.00 10.00 N ATOM 723 CA GLY A 46 11.557 3.776 4.616 1.00 10.00 C ATOM 724 C GLY A 46 10.380 4.246 3.767 1.00 10.00 C ATOM 725 O GLY A 46 10.428 5.365 3.255 1.00 10.00 O ATOM 0 H GLY A 46 11.544 1.910 3.699 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.407 4.107 5.644 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.467 4.256 4.257 1.00 10.00 H new ATOM 729 N GLN A 47 9.334 3.424 3.625 1.00 10.00 N ATOM 730 CA GLN A 47 8.057 3.835 3.021 1.00 10.00 C ATOM 731 C GLN A 47 6.839 3.537 3.919 1.00 10.00 C ATOM 732 O GLN A 47 6.868 2.648 4.776 1.00 10.00 O ATOM 733 CB GLN A 47 7.896 3.281 1.591 1.00 10.00 C ATOM 734 CG GLN A 47 7.685 1.762 1.515 1.00 10.00 C ATOM 735 CD GLN A 47 7.015 1.323 0.213 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.871 1.653 -0.066 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.661 0.528 -0.608 1.00 10.00 N ATOM 0 H GLN A 47 9.348 2.450 3.927 1.00 10.00 H new ATOM 0 HA GLN A 47 8.091 4.921 2.936 1.00 10.00 H new ATOM 0 HB2 GLN A 47 7.049 3.777 1.116 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.782 3.541 1.013 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.648 1.261 1.610 1.00 10.00 H new ATOM 0 HG3 GLN A 47 7.074 1.442 2.359 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.616 0.241 -0.394 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.208 0.198 -1.460 1.00 10.00 H new ATOM 746 N LYS A 48 5.769 4.307 3.702 1.00 10.00 N ATOM 747 CA LYS A 48 4.585 4.476 4.567 1.00 10.00 C ATOM 748 C LYS A 48 3.308 4.535 3.719 1.00 10.00 C ATOM 749 O LYS A 48 3.381 4.824 2.525 1.00 10.00 O ATOM 750 CB LYS A 48 4.736 5.785 5.368 1.00 10.00 C ATOM 751 CG LYS A 48 6.003 5.824 6.238 1.00 10.00 C ATOM 752 CD LYS A 48 6.025 7.088 7.108 1.00 10.00 C ATOM 753 CE LYS A 48 7.338 7.242 7.889 1.00 10.00 C ATOM 754 NZ LYS A 48 7.490 6.217 8.956 1.00 10.00 N ATOM 0 H LYS A 48 5.697 4.873 2.856 1.00 10.00 H new ATOM 0 HA LYS A 48 4.511 3.627 5.247 1.00 10.00 H new ATOM 0 HB2 LYS A 48 4.753 6.626 4.675 1.00 10.00 H new ATOM 0 HB3 LYS A 48 3.862 5.915 6.006 1.00 10.00 H new ATOM 0 HG2 LYS A 48 6.042 4.939 6.873 1.00 10.00 H new ATOM 0 HG3 LYS A 48 6.888 5.799 5.602 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.878 7.963 6.475 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.191 7.057 7.809 1.00 10.00 H new ATOM 0 HE2 LYS A 48 8.178 7.170 7.198 1.00 10.00 H new ATOM 0 HE3 LYS A 48 7.377 8.235 8.336 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 8.391 6.364 9.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 6.704 6.300 9.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 7.481 5.268 8.530 1.00 10.00 H new ATOM 768 N LEU A 49 2.144 4.276 4.319 1.00 10.00 N ATOM 769 CA LEU A 49 0.848 4.231 3.622 1.00 10.00 C ATOM 770 C LEU A 49 -0.291 4.886 4.427 1.00 10.00 C ATOM 771 O LEU A 49 -0.321 4.831 5.659 1.00 10.00 O ATOM 772 CB LEU A 49 0.466 2.779 3.253 1.00 10.00 C ATOM 773 CG LEU A 49 1.321 2.131 2.145 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.520 1.342 2.676 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.482 1.142 1.332 1.00 10.00 C ATOM 0 H LEU A 49 2.070 4.088 5.319 1.00 10.00 H new ATOM 0 HA LEU A 49 0.976 4.814 2.710 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.537 2.164 4.150 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.577 2.765 2.938 1.00 10.00 H new ATOM 0 HG LEU A 49 1.680 2.966 1.543 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.074 0.915 1.840 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.172 2.008 3.241 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.169 0.540 3.326 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.100 0.694 0.554 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.103 0.360 1.990 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.355 1.667 0.872 1.00 10.00 H new ATOM 787 N ILE A 50 -1.253 5.461 3.697 1.00 10.00 N ATOM 788 CA ILE A 50 -2.430 6.188 4.201 1.00 10.00 C ATOM 789 C ILE A 50 -3.683 5.779 3.418 1.00 10.00 C ATOM 790 O ILE A 50 -3.683 5.833 2.190 1.00 10.00 O ATOM 791 CB ILE A 50 -2.191 7.720 4.070 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.167 8.276 5.083 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.495 8.536 4.183 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.615 8.192 6.548 1.00 10.00 C ATOM 0 H ILE A 50 -1.232 5.431 2.678 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.582 5.937 5.251 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.778 7.837 3.068 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.230 7.731 4.970 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.961 9.318 4.838 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.269 9.598 4.085 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.182 8.236 3.391 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -3.957 8.352 5.153 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -0.837 8.604 7.191 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.535 8.762 6.681 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.792 7.150 6.815 1.00 10.00 H new ATOM 806 N TYR A 51 -4.787 5.464 4.106 1.00 10.00 N ATOM 807 CA TYR A 51 -6.099 5.233 3.474 1.00 10.00 C ATOM 808 C TYR A 51 -7.016 6.452 3.652 1.00 10.00 C ATOM 809 O TYR A 51 -7.868 6.493 4.544 1.00 10.00 O ATOM 810 CB TYR A 51 -6.725 3.913 3.953 1.00 10.00 C ATOM 811 CG TYR A 51 -8.051 3.525 3.314 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.312 3.775 1.949 1.00 10.00 C ATOM 813 CD2 TYR A 51 -9.021 2.864 4.093 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.550 3.416 1.383 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.262 2.509 3.533 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.534 2.791 2.179 1.00 10.00 C ATOM 817 OH TYR A 51 -11.729 2.421 1.644 1.00 10.00 O ATOM 0 H TYR A 51 -4.799 5.361 5.121 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.955 5.118 2.400 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -6.010 3.110 3.773 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.870 3.974 5.032 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.557 4.244 1.335 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.811 2.628 5.126 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.747 3.619 0.341 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -11.008 2.019 4.142 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.283 2.005 2.337 1.00 10.00 H new ATOM 827 N ALA A 52 -6.786 7.477 2.823 1.00 10.00 N ATOM 828 CA ALA A 52 -7.541 8.740 2.762 1.00 10.00 C ATOM 829 C ALA A 52 -7.664 9.512 4.105 1.00 10.00 C ATOM 830 O ALA A 52 -8.627 10.254 4.319 1.00 10.00 O ATOM 831 CB ALA A 52 -8.885 8.463 2.067 1.00 10.00 C ATOM 0 H ALA A 52 -6.029 7.449 2.140 1.00 10.00 H new ATOM 0 HA ALA A 52 -6.964 9.449 2.167 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.462 9.386 2.010 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.703 8.086 1.060 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.443 7.720 2.637 1.00 10.00 H new ATOM 837 N GLY A 53 -6.701 9.324 5.016 1.00 10.00 N ATOM 838 CA GLY A 53 -6.631 9.983 6.333 1.00 10.00 C ATOM 839 C GLY A 53 -6.310 9.040 7.503 1.00 10.00 C ATOM 840 O GLY A 53 -6.061 9.506 8.617 1.00 10.00 O ATOM 0 H GLY A 53 -5.921 8.688 4.854 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -5.872 10.764 6.294 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.584 10.474 6.530 1.00 10.00 H new ATOM 844 N LYS A 54 -6.309 7.721 7.261 1.00 10.00 N ATOM 845 CA LYS A 54 -6.087 6.660 8.260 1.00 10.00 C ATOM 846 C LYS A 54 -4.644 6.167 8.176 1.00 10.00 C ATOM 847 O LYS A 54 -4.131 5.980 7.074 1.00 10.00 O ATOM 848 CB LYS A 54 -7.046 5.479 8.004 1.00 10.00 C ATOM 849 CG LYS A 54 -8.519 5.896 7.863 1.00 10.00 C ATOM 850 CD LYS A 54 -9.420 4.693 7.541 1.00 10.00 C ATOM 851 CE LYS A 54 -10.706 5.136 6.827 1.00 10.00 C ATOM 852 NZ LYS A 54 -10.460 5.494 5.402 1.00 10.00 N ATOM 0 H LYS A 54 -6.469 7.347 6.326 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.278 7.067 9.253 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.736 4.961 7.096 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.957 4.766 8.824 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.855 6.365 8.788 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.612 6.643 7.074 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.877 3.987 6.913 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.675 4.169 8.462 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.443 4.334 6.877 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -11.132 5.994 7.348 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -11.276 6.020 5.030 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -9.607 6.085 5.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -10.324 4.627 4.845 1.00 10.00 H new ATOM 866 N ILE A 55 -4.013 5.913 9.323 1.00 10.00 N ATOM 867 CA ILE A 55 -2.576 5.622 9.427 1.00 10.00 C ATOM 868 C ILE A 55 -2.393 4.105 9.540 1.00 10.00 C ATOM 869 O ILE A 55 -2.675 3.499 10.578 1.00 10.00 O ATOM 870 CB ILE A 55 -1.933 6.396 10.603 1.00 10.00 C ATOM 871 CG1 ILE A 55 -2.169 7.921 10.457 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.422 6.093 10.668 1.00 10.00 C ATOM 873 CD1 ILE A 55 -1.711 8.749 11.664 1.00 10.00 C ATOM 0 H ILE A 55 -4.491 5.903 10.224 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.057 5.965 8.532 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.403 6.068 11.530 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -1.645 8.274 9.569 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -3.232 8.098 10.292 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.024 6.641 11.498 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.271 5.024 10.817 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.051 6.400 9.735 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -1.913 9.804 11.479 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -2.253 8.427 12.553 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -0.642 8.606 11.819 1.00 10.00 H new ATOM 885 N LEU A 56 -1.993 3.484 8.428 1.00 10.00 N ATOM 886 CA LEU A 56 -1.937 2.027 8.276 1.00 10.00 C ATOM 887 C LEU A 56 -0.690 1.426 8.960 1.00 10.00 C ATOM 888 O LEU A 56 0.312 2.117 9.172 1.00 10.00 O ATOM 889 CB LEU A 56 -2.019 1.666 6.780 1.00 10.00 C ATOM 890 CG LEU A 56 -3.112 2.387 5.964 1.00 10.00 C ATOM 891 CD1 LEU A 56 -3.180 1.780 4.563 1.00 10.00 C ATOM 892 CD2 LEU A 56 -4.497 2.271 6.598 1.00 10.00 C ATOM 0 H LEU A 56 -1.694 3.988 7.593 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.794 1.584 8.783 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.053 1.880 6.323 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -2.181 0.591 6.695 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.840 3.442 5.933 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -3.951 2.287 3.984 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -2.217 1.900 4.067 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.421 0.719 4.637 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -5.225 2.797 5.980 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -4.776 1.220 6.672 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -4.479 2.713 7.594 1.00 10.00 H new ATOM 904 N ASN A 57 -0.749 0.138 9.313 1.00 10.00 N ATOM 905 CA ASN A 57 0.193 -0.528 10.217 1.00 10.00 C ATOM 906 C ASN A 57 0.748 -1.854 9.648 1.00 10.00 C ATOM 907 O ASN A 57 -0.002 -2.768 9.306 1.00 10.00 O ATOM 908 CB ASN A 57 -0.548 -0.722 11.556 1.00 10.00 C ATOM 909 CG ASN A 57 0.309 -1.408 12.609 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.509 -1.195 12.704 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.250 -2.280 13.413 1.00 10.00 N ATOM 0 H ASN A 57 -1.476 -0.488 8.967 1.00 10.00 H new ATOM 0 HA ASN A 57 1.082 0.088 10.353 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.870 0.249 11.932 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.448 -1.312 11.386 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.315 -2.770 14.106 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.250 -2.468 13.345 1.00 10.00 H new ATOM 918 N ASP A 58 2.076 -2.008 9.612 1.00 10.00 N ATOM 919 CA ASP A 58 2.762 -3.235 9.153 1.00 10.00 C ATOM 920 C ASP A 58 2.492 -4.489 10.022 1.00 10.00 C ATOM 921 O ASP A 58 2.899 -5.592 9.657 1.00 10.00 O ATOM 922 CB ASP A 58 4.275 -2.968 9.027 1.00 10.00 C ATOM 923 CG ASP A 58 4.642 -2.073 7.832 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.066 -2.236 6.734 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.558 -1.224 7.964 1.00 10.00 O ATOM 0 H ASP A 58 2.721 -1.274 9.905 1.00 10.00 H new ATOM 0 HA ASP A 58 2.338 -3.474 8.178 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.631 -2.499 9.945 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.797 -3.920 8.932 1.00 10.00 H new ATOM 930 N ASP A 59 1.769 -4.347 11.139 1.00 10.00 N ATOM 931 CA ASP A 59 1.427 -5.416 12.090 1.00 10.00 C ATOM 932 C ASP A 59 -0.101 -5.623 12.264 1.00 10.00 C ATOM 933 O ASP A 59 -0.531 -6.366 13.148 1.00 10.00 O ATOM 934 CB ASP A 59 2.155 -5.125 13.415 1.00 10.00 C ATOM 935 CG ASP A 59 2.150 -6.313 14.397 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.584 -7.426 14.012 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.771 -6.120 15.578 1.00 10.00 O ATOM 0 H ASP A 59 1.388 -3.443 11.419 1.00 10.00 H new ATOM 0 HA ASP A 59 1.768 -6.371 11.691 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.187 -4.847 13.199 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.687 -4.266 13.895 1.00 10.00 H new ATOM 942 N THR A 60 -0.935 -5.015 11.403 1.00 10.00 N ATOM 943 CA THR A 60 -2.403 -5.189 11.385 1.00 10.00 C ATOM 944 C THR A 60 -2.889 -5.521 9.969 1.00 10.00 C ATOM 945 O THR A 60 -2.428 -4.952 8.975 1.00 10.00 O ATOM 946 CB THR A 60 -3.115 -3.952 11.964 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.775 -3.758 13.323 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.642 -4.011 11.876 1.00 10.00 C ATOM 0 H THR A 60 -0.603 -4.374 10.683 1.00 10.00 H new ATOM 0 HA THR A 60 -2.659 -6.033 12.026 1.00 10.00 H new ATOM 0 HB THR A 60 -2.769 -3.125 11.345 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.239 -2.966 13.666 1.00 10.00 H new ATOM 0 HG21 THR A 60 -5.067 -3.103 12.305 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.943 -4.094 10.832 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.005 -4.877 12.429 1.00 10.00 H new ATOM 956 N ALA A 61 -3.786 -6.509 9.878 1.00 10.00 N ATOM 957 CA ALA A 61 -4.284 -7.084 8.631 1.00 10.00 C ATOM 958 C ALA A 61 -5.161 -6.118 7.812 1.00 10.00 C ATOM 959 O ALA A 61 -5.957 -5.354 8.361 1.00 10.00 O ATOM 960 CB ALA A 61 -5.023 -8.379 8.959 1.00 10.00 C ATOM 0 H ALA A 61 -4.198 -6.944 10.704 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.429 -7.291 7.987 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.403 -8.824 8.039 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.339 -9.076 9.444 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.856 -8.163 9.629 1.00 10.00 H new ATOM 966 N LEU A 62 -5.040 -6.183 6.484 1.00 10.00 N ATOM 967 CA LEU A 62 -5.592 -5.198 5.548 1.00 10.00 C ATOM 968 C LEU A 62 -7.118 -5.024 5.629 1.00 10.00 C ATOM 969 O LEU A 62 -7.618 -3.898 5.550 1.00 10.00 O ATOM 970 CB LEU A 62 -5.128 -5.556 4.126 1.00 10.00 C ATOM 971 CG LEU A 62 -3.621 -5.308 3.928 1.00 10.00 C ATOM 972 CD1 LEU A 62 -3.117 -6.041 2.692 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.332 -3.816 3.760 1.00 10.00 C ATOM 0 H LEU A 62 -4.543 -6.941 6.017 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.204 -4.221 5.837 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.352 -6.604 3.925 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -5.690 -4.966 3.402 1.00 10.00 H new ATOM 0 HG LEU A 62 -3.108 -5.681 4.815 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -2.050 -5.854 2.568 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -3.287 -7.111 2.809 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -3.653 -5.683 1.813 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.261 -3.666 3.622 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.867 -3.438 2.889 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -3.662 -3.279 4.650 1.00 10.00 H new ATOM 985 N LYS A 63 -7.867 -6.110 5.852 1.00 10.00 N ATOM 986 CA LYS A 63 -9.330 -6.065 6.031 1.00 10.00 C ATOM 987 C LYS A 63 -9.821 -5.261 7.243 1.00 10.00 C ATOM 988 O LYS A 63 -10.954 -4.783 7.227 1.00 10.00 O ATOM 989 CB LYS A 63 -9.926 -7.482 5.979 1.00 10.00 C ATOM 990 CG LYS A 63 -9.826 -8.361 7.243 1.00 10.00 C ATOM 991 CD LYS A 63 -8.412 -8.539 7.819 1.00 10.00 C ATOM 992 CE LYS A 63 -8.314 -9.764 8.747 1.00 10.00 C ATOM 993 NZ LYS A 63 -8.938 -9.545 10.079 1.00 10.00 N ATOM 0 H LYS A 63 -7.477 -7.051 5.914 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.710 -5.494 5.184 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -10.981 -7.390 5.720 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.442 -8.017 5.162 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.462 -7.928 8.016 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.231 -9.346 7.012 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.699 -8.646 7.002 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.131 -7.643 8.372 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.794 -10.616 8.265 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.264 -10.024 8.884 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.115 -10.463 10.535 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -8.298 -8.981 10.674 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -9.838 -9.038 9.961 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.991 -5.049 8.267 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.356 -4.263 9.462 1.00 10.00 C ATOM 1009 C GLU A 64 -9.315 -2.743 9.230 1.00 10.00 C ATOM 1010 O GLU A 64 -9.921 -1.990 9.996 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.491 -4.683 10.662 1.00 10.00 C ATOM 1012 CG GLU A 64 -9.004 -6.018 11.220 1.00 10.00 C ATOM 1013 CD GLU A 64 -7.992 -6.701 12.152 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.657 -6.145 13.226 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -7.566 -7.832 11.817 1.00 10.00 O ATOM 0 H GLU A 64 -8.040 -5.417 8.297 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.398 -4.491 9.686 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.449 -4.781 10.357 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.526 -3.916 11.435 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.933 -5.847 11.763 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.238 -6.687 10.392 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.695 -2.285 8.135 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.838 -0.900 7.645 1.00 10.00 C ATOM 1024 C TYR A 65 -10.070 -0.713 6.731 1.00 10.00 C ATOM 1025 O TYR A 65 -10.370 0.412 6.325 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.578 -0.458 6.891 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.276 -0.840 7.559 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.883 -0.269 8.787 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.465 -1.805 6.939 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.680 -0.670 9.388 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.288 -2.245 7.561 1.00 10.00 C ATOM 1032 CZ TYR A 65 -3.891 -1.658 8.774 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.729 -2.026 9.347 1.00 10.00 O ATOM 0 H TYR A 65 -8.079 -2.861 7.561 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.981 -0.278 8.528 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.599 -0.891 5.891 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.605 0.625 6.770 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.505 0.474 9.263 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.749 -2.210 5.979 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.362 -0.222 10.318 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.693 -3.027 7.112 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.595 -2.989 9.226 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.775 -1.810 6.397 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.927 -1.884 5.477 1.00 10.00 C ATOM 1045 C LYS A 66 -11.688 -1.190 4.120 1.00 10.00 C ATOM 1046 O LYS A 66 -12.540 -0.443 3.635 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.213 -1.424 6.197 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.530 -2.277 7.441 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.878 -1.922 8.087 1.00 10.00 C ATOM 1050 CE LYS A 66 -14.890 -0.496 8.658 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.181 -0.189 9.328 1.00 10.00 N ATOM 0 H LYS A 66 -10.542 -2.724 6.785 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.061 -2.930 5.202 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -13.106 -0.381 6.493 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.052 -1.474 5.503 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.534 -3.330 7.161 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.736 -2.146 8.176 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.671 -2.022 7.346 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.095 -2.633 8.884 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -14.073 -0.381 9.370 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.716 0.220 7.855 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.156 0.781 9.702 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.957 -0.275 8.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -16.334 -0.858 10.110 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.514 -1.421 3.514 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.173 -0.919 2.168 1.00 10.00 C ATOM 1067 C ILE A 67 -11.104 -1.557 1.117 1.00 10.00 C ATOM 1068 O ILE A 67 -11.619 -2.660 1.319 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.669 -1.119 1.876 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.848 -0.238 2.847 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.283 -0.726 0.435 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.399 -0.697 3.000 1.00 10.00 C ATOM 0 H ILE A 67 -9.767 -1.965 3.945 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.342 0.157 2.118 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.455 -2.180 2.007 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.860 0.792 2.491 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -8.329 -0.242 3.825 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.215 -0.887 0.287 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.844 -1.338 -0.272 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.517 0.326 0.270 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.879 -0.037 3.694 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -6.379 -1.716 3.385 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.903 -0.666 2.030 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.328 -0.869 -0.004 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.329 -1.231 -1.016 1.00 10.00 C ATOM 1086 C ASP A 68 -11.793 -1.094 -2.452 1.00 10.00 C ATOM 1087 O ASP A 68 -11.039 -0.171 -2.763 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.573 -0.358 -0.794 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.741 -0.812 -1.679 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.826 -0.342 -2.834 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.552 -1.657 -1.229 1.00 10.00 O ATOM 0 H ASP A 68 -10.808 -0.024 -0.241 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.585 -2.284 -0.900 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.869 -0.404 0.254 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.333 0.683 -1.012 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.213 -2.003 -3.338 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.798 -2.076 -4.751 1.00 10.00 C ATOM 1098 C GLU A 69 -12.124 -0.816 -5.578 1.00 10.00 C ATOM 1099 O GLU A 69 -11.523 -0.599 -6.635 1.00 10.00 O ATOM 1100 CB GLU A 69 -12.474 -3.284 -5.429 1.00 10.00 C ATOM 1101 CG GLU A 69 -12.131 -4.632 -4.784 1.00 10.00 C ATOM 1102 CD GLU A 69 -12.818 -5.786 -5.541 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -12.380 -6.118 -6.669 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -13.797 -6.368 -5.014 1.00 10.00 O ATOM 0 H GLU A 69 -12.875 -2.737 -3.086 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.712 -2.173 -4.730 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -13.555 -3.145 -5.403 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -12.181 -3.310 -6.479 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -11.051 -4.779 -4.788 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.449 -4.634 -3.741 1.00 10.00 H new ATOM 1111 N LYS A 70 -13.063 0.018 -5.107 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.536 1.250 -5.766 1.00 10.00 C ATOM 1113 C LYS A 70 -13.023 2.527 -5.080 1.00 10.00 C ATOM 1114 O LYS A 70 -13.415 3.631 -5.466 1.00 10.00 O ATOM 1115 CB LYS A 70 -15.079 1.242 -5.853 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.705 -0.019 -6.479 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.251 -0.273 -7.925 1.00 10.00 C ATOM 1118 CE LYS A 70 -15.991 -1.490 -8.493 1.00 10.00 C ATOM 1119 NZ LYS A 70 -15.593 -1.767 -9.898 1.00 10.00 N ATOM 0 H LYS A 70 -13.535 -0.153 -4.219 1.00 10.00 H new ATOM 0 HA LYS A 70 -13.121 1.262 -6.774 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -15.482 1.365 -4.848 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -15.397 2.109 -6.432 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.448 -0.884 -5.868 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.791 0.075 -6.458 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -15.451 0.605 -8.539 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -14.175 -0.444 -7.954 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -15.782 -2.364 -7.876 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.066 -1.317 -8.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -16.113 -2.596 -10.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -15.816 -0.942 -10.491 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -14.571 -1.957 -9.938 1.00 10.00 H new ATOM 1133 N ASN A 71 -12.131 2.393 -4.094 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.435 3.500 -3.426 1.00 10.00 C ATOM 1135 C ASN A 71 -9.903 3.334 -3.561 1.00 10.00 C ATOM 1136 O ASN A 71 -9.427 2.334 -4.105 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.931 3.576 -1.963 1.00 10.00 C ATOM 1138 CG ASN A 71 -11.843 4.967 -1.344 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -11.125 5.847 -1.793 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -12.585 5.219 -0.290 1.00 10.00 N ATOM 0 H ASN A 71 -11.864 1.480 -3.725 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.665 4.454 -3.900 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -12.967 3.238 -1.924 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.347 2.883 -1.357 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -12.558 6.142 0.144 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -13.189 4.492 0.094 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.122 4.306 -3.082 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.662 4.317 -3.207 1.00 10.00 C ATOM 1149 C PHE A 72 -6.923 4.663 -1.909 1.00 10.00 C ATOM 1150 O PHE A 72 -7.470 5.246 -0.972 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.225 5.204 -4.391 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.576 6.677 -4.312 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.865 7.539 -3.455 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.574 7.202 -5.156 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.170 8.911 -3.422 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.862 8.577 -5.138 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.169 9.431 -4.263 1.00 10.00 C ATOM 0 H PHE A 72 -9.491 5.119 -2.589 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.363 3.291 -3.420 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.144 5.118 -4.498 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.668 4.798 -5.300 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.084 7.145 -2.822 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -9.119 6.546 -5.819 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.636 9.566 -2.750 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.617 8.978 -5.798 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.404 10.485 -4.237 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.645 4.287 -1.889 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.676 4.384 -0.786 1.00 10.00 C ATOM 1169 C VAL A 73 -3.454 5.148 -1.318 1.00 10.00 C ATOM 1170 O VAL A 73 -3.162 5.091 -2.511 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.313 2.956 -0.313 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -3.062 2.849 0.571 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.468 2.311 0.460 1.00 10.00 C ATOM 0 H VAL A 73 -5.218 3.869 -2.716 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.080 4.919 0.074 1.00 10.00 H new ATOM 0 HB VAL A 73 -4.104 2.435 -1.247 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.899 1.807 0.846 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -2.196 3.220 0.022 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -3.202 3.444 1.473 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -5.179 1.309 0.777 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.702 2.916 1.336 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.346 2.249 -0.183 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.738 5.879 -0.466 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.610 6.748 -0.851 1.00 10.00 C ATOM 1185 C VAL A 74 -0.327 6.255 -0.182 1.00 10.00 C ATOM 1186 O VAL A 74 -0.316 6.036 1.028 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.883 8.217 -0.458 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.807 9.150 -1.031 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.249 8.719 -0.954 1.00 10.00 C ATOM 0 H VAL A 74 -2.925 5.889 0.537 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.494 6.703 -1.934 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.871 8.236 0.632 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -1.024 10.178 -0.739 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.170 8.861 -0.643 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.802 9.075 -2.118 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.388 9.756 -0.650 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.289 8.651 -2.041 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -4.040 8.106 -0.523 1.00 10.00 H new ATOM 1199 N VAL A 75 0.759 6.102 -0.948 1.00 10.00 N ATOM 1200 CA VAL A 75 2.085 5.706 -0.441 1.00 10.00 C ATOM 1201 C VAL A 75 3.025 6.917 -0.354 1.00 10.00 C ATOM 1202 O VAL A 75 2.976 7.823 -1.191 1.00 10.00 O ATOM 1203 CB VAL A 75 2.722 4.547 -1.247 1.00 10.00 C ATOM 1204 CG1 VAL A 75 1.714 3.431 -1.565 1.00 10.00 C ATOM 1205 CG2 VAL A 75 3.366 4.968 -2.568 1.00 10.00 C ATOM 0 H VAL A 75 0.744 6.252 -1.957 1.00 10.00 H new ATOM 0 HA VAL A 75 1.931 5.320 0.567 1.00 10.00 H new ATOM 0 HB VAL A 75 3.505 4.186 -0.580 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.210 2.643 -2.131 1.00 10.00 H new ATOM 0 HG12 VAL A 75 1.323 3.018 -0.635 1.00 10.00 H new ATOM 0 HG13 VAL A 75 0.893 3.839 -2.155 1.00 10.00 H new ATOM 0 HG21 VAL A 75 3.786 4.093 -3.063 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.613 5.423 -3.211 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.159 5.689 -2.372 1.00 10.00 H new ATOM 1215 N MET A 76 3.896 6.924 0.655 1.00 10.00 N ATOM 1216 CA MET A 76 4.834 8.012 0.977 1.00 10.00 C ATOM 1217 C MET A 76 6.206 7.432 1.365 1.00 10.00 C ATOM 1218 O MET A 76 6.297 6.258 1.722 1.00 10.00 O ATOM 1219 CB MET A 76 4.258 8.867 2.123 1.00 10.00 C ATOM 1220 CG MET A 76 2.879 9.462 1.800 1.00 10.00 C ATOM 1221 SD MET A 76 2.167 10.470 3.128 1.00 10.00 S ATOM 1222 CE MET A 76 0.529 10.776 2.413 1.00 10.00 C ATOM 0 H MET A 76 3.975 6.139 1.302 1.00 10.00 H new ATOM 0 HA MET A 76 4.969 8.645 0.100 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.181 8.254 3.021 1.00 10.00 H new ATOM 0 HB3 MET A 76 4.952 9.677 2.348 1.00 10.00 H new ATOM 0 HG2 MET A 76 2.962 10.073 0.901 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.191 8.649 1.569 1.00 10.00 H new ATOM 0 HE1 MET A 76 -0.058 11.388 3.098 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.639 11.298 1.462 1.00 10.00 H new ATOM 0 HE3 MET A 76 0.021 9.826 2.249 1.00 10.00 H new ATOM 1232 N VAL A 77 7.280 8.225 1.298 1.00 10.00 N ATOM 1233 CA VAL A 77 8.673 7.744 1.450 1.00 10.00 C ATOM 1234 C VAL A 77 9.511 8.730 2.271 1.00 10.00 C ATOM 1235 O VAL A 77 9.396 9.946 2.093 1.00 10.00 O ATOM 1236 CB VAL A 77 9.326 7.516 0.063 1.00 10.00 C ATOM 1237 CG1 VAL A 77 10.764 6.983 0.163 1.00 10.00 C ATOM 1238 CG2 VAL A 77 8.541 6.518 -0.800 1.00 10.00 C ATOM 0 H VAL A 77 7.215 9.230 1.135 1.00 10.00 H new ATOM 0 HA VAL A 77 8.641 6.794 1.984 1.00 10.00 H new ATOM 0 HB VAL A 77 9.322 8.503 -0.399 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.170 6.842 -0.839 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.380 7.698 0.708 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.763 6.029 0.691 1.00 10.00 H new ATOM 0 HG21 VAL A 77 9.042 6.395 -1.760 1.00 10.00 H new ATOM 0 HG22 VAL A 77 8.492 5.556 -0.290 1.00 10.00 H new ATOM 0 HG23 VAL A 77 7.531 6.894 -0.963 1.00 10.00 H new ATOM 1248 N THR A 78 10.385 8.208 3.139 1.00 10.00 N ATOM 1249 CA THR A 78 11.322 8.993 3.975 1.00 10.00 C ATOM 1250 C THR A 78 12.772 8.478 3.975 1.00 10.00 C ATOM 1251 O THR A 78 13.631 9.146 4.552 1.00 10.00 O ATOM 1252 CB THR A 78 10.835 9.055 5.435 1.00 10.00 C ATOM 1253 OG1 THR A 78 10.780 7.751 5.981 1.00 10.00 O ATOM 1254 CG2 THR A 78 9.445 9.677 5.585 1.00 10.00 C ATOM 0 H THR A 78 10.468 7.203 3.289 1.00 10.00 H new ATOM 0 HA THR A 78 11.330 9.981 3.515 1.00 10.00 H new ATOM 0 HB THR A 78 11.551 9.686 5.962 1.00 10.00 H new ATOM 0 HG1 THR A 78 10.471 7.798 6.910 1.00 10.00 H new ATOM 0 HG21 THR A 78 9.164 9.690 6.638 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.459 10.697 5.201 1.00 10.00 H new ATOM 0 HG23 THR A 78 8.720 9.088 5.023 1.00 10.00 H new ATOM 1262 N LYS A 79 13.056 7.344 3.304 1.00 10.00 N ATOM 1263 CA LYS A 79 14.362 6.803 2.832 1.00 10.00 C ATOM 1264 C LYS A 79 14.863 5.504 3.518 1.00 10.00 C ATOM 1265 O LYS A 79 15.274 4.620 2.763 1.00 10.00 O ATOM 1266 CB LYS A 79 15.473 7.877 2.716 1.00 10.00 C ATOM 1267 CG LYS A 79 16.751 7.435 1.974 1.00 10.00 C ATOM 1268 CD LYS A 79 16.559 6.974 0.515 1.00 10.00 C ATOM 1269 CE LYS A 79 15.886 8.008 -0.402 1.00 10.00 C ATOM 1270 NZ LYS A 79 16.739 9.205 -0.629 1.00 10.00 N ATOM 0 H LYS A 79 12.299 6.710 3.048 1.00 10.00 H new ATOM 0 HA LYS A 79 14.120 6.479 1.820 1.00 10.00 H new ATOM 0 HB2 LYS A 79 15.060 8.747 2.206 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.750 8.198 3.720 1.00 10.00 H new ATOM 0 HG2 LYS A 79 17.458 8.265 1.982 1.00 10.00 H new ATOM 0 HG3 LYS A 79 17.210 6.620 2.534 1.00 10.00 H new ATOM 0 HD2 LYS A 79 17.533 6.718 0.098 1.00 10.00 H new ATOM 0 HD3 LYS A 79 15.961 6.062 0.512 1.00 10.00 H new ATOM 0 HE2 LYS A 79 15.654 7.543 -1.360 1.00 10.00 H new ATOM 0 HE3 LYS A 79 14.939 8.319 0.039 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 16.242 9.872 -1.253 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 16.940 9.666 0.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 17.633 8.915 -1.074 1.00 10.00 H new ATOM 1284 N PRO A 80 14.800 5.285 4.853 1.00 10.00 N ATOM 1285 CA PRO A 80 14.490 6.221 5.942 1.00 10.00 C ATOM 1286 C PRO A 80 15.660 7.173 6.263 1.00 10.00 C ATOM 1287 O PRO A 80 16.791 6.970 5.815 1.00 10.00 O ATOM 1288 CB PRO A 80 14.188 5.316 7.144 1.00 10.00 C ATOM 1289 CG PRO A 80 15.145 4.145 6.943 1.00 10.00 C ATOM 1290 CD PRO A 80 15.175 3.992 5.423 1.00 10.00 C ATOM 0 HA PRO A 80 13.660 6.875 5.674 1.00 10.00 H new ATOM 0 HB2 PRO A 80 14.369 5.827 8.089 1.00 10.00 H new ATOM 0 HB3 PRO A 80 13.148 4.990 7.152 1.00 10.00 H new ATOM 0 HG2 PRO A 80 16.135 4.357 7.348 1.00 10.00 H new ATOM 0 HG3 PRO A 80 14.786 3.240 7.434 1.00 10.00 H new ATOM 0 HD2 PRO A 80 16.168 3.696 5.085 1.00 10.00 H new ATOM 0 HD3 PRO A 80 14.483 3.214 5.101 1.00 10.00 H new ATOM 1298 N LYS A 81 15.412 8.177 7.117 1.00 10.00 N ATOM 1299 CA LYS A 81 16.411 9.147 7.627 1.00 10.00 C ATOM 1300 C LYS A 81 17.389 8.577 8.679 1.00 10.00 C ATOM 1301 O LYS A 81 18.086 9.342 9.349 1.00 10.00 O ATOM 1302 CB LYS A 81 15.686 10.400 8.166 1.00 10.00 C ATOM 1303 CG LYS A 81 14.814 11.097 7.106 1.00 10.00 C ATOM 1304 CD LYS A 81 14.222 12.431 7.585 1.00 10.00 C ATOM 1305 CE LYS A 81 15.299 13.510 7.776 1.00 10.00 C ATOM 1306 NZ LYS A 81 14.703 14.814 8.167 1.00 10.00 N ATOM 0 H LYS A 81 14.478 8.348 7.489 1.00 10.00 H new ATOM 0 HA LYS A 81 17.042 9.409 6.778 1.00 10.00 H new ATOM 0 HB2 LYS A 81 15.060 10.115 9.012 1.00 10.00 H new ATOM 0 HB3 LYS A 81 16.426 11.107 8.541 1.00 10.00 H new ATOM 0 HG2 LYS A 81 15.413 11.274 6.212 1.00 10.00 H new ATOM 0 HG3 LYS A 81 14.002 10.430 6.818 1.00 10.00 H new ATOM 0 HD2 LYS A 81 13.485 12.780 6.862 1.00 10.00 H new ATOM 0 HD3 LYS A 81 13.695 12.275 8.527 1.00 10.00 H new ATOM 0 HE2 LYS A 81 16.006 13.188 8.541 1.00 10.00 H new ATOM 0 HE3 LYS A 81 15.863 13.630 6.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 15.458 15.519 8.287 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 14.047 15.132 7.425 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 14.186 14.705 9.063 1.00 10.00 H new ATOM 1320 N ALA A 82 17.435 7.254 8.858 1.00 10.00 N ATOM 1321 CA ALA A 82 18.267 6.569 9.849 1.00 10.00 C ATOM 1322 C ALA A 82 19.774 6.848 9.648 1.00 10.00 C ATOM 1323 O ALA A 82 20.371 6.447 8.643 1.00 10.00 O ATOM 1324 CB ALA A 82 17.949 5.069 9.793 1.00 10.00 C ATOM 0 H ALA A 82 16.876 6.610 8.299 1.00 10.00 H new ATOM 0 HA ALA A 82 18.033 6.956 10.841 1.00 10.00 H new ATOM 0 HB1 ALA A 82 18.559 4.540 10.525 1.00 10.00 H new ATOM 0 HB2 ALA A 82 16.894 4.912 10.019 1.00 10.00 H new ATOM 0 HB3 ALA A 82 18.167 4.688 8.795 1.00 10.00 H new ATOM 1330 N VAL A 83 20.385 7.533 10.618 1.00 10.00 N ATOM 1331 CA VAL A 83 21.822 7.874 10.673 1.00 10.00 C ATOM 1332 C VAL A 83 22.365 7.735 12.106 1.00 10.00 C ATOM 1333 O VAL A 83 21.610 7.850 13.077 1.00 10.00 O ATOM 1334 CB VAL A 83 22.044 9.285 10.081 1.00 10.00 C ATOM 1335 CG1 VAL A 83 21.436 10.414 10.928 1.00 10.00 C ATOM 1336 CG2 VAL A 83 23.524 9.599 9.833 1.00 10.00 C ATOM 0 H VAL A 83 19.874 7.885 11.427 1.00 10.00 H new ATOM 0 HA VAL A 83 22.389 7.170 10.064 1.00 10.00 H new ATOM 0 HB VAL A 83 21.518 9.252 9.127 1.00 10.00 H new ATOM 0 HG11 VAL A 83 21.632 11.374 10.450 1.00 10.00 H new ATOM 0 HG12 VAL A 83 20.360 10.265 11.014 1.00 10.00 H new ATOM 0 HG13 VAL A 83 21.884 10.405 11.921 1.00 10.00 H new ATOM 0 HG21 VAL A 83 23.618 10.602 9.417 1.00 10.00 H new ATOM 0 HG22 VAL A 83 24.070 9.543 10.774 1.00 10.00 H new ATOM 0 HG23 VAL A 83 23.937 8.875 9.131 1.00 10.00 H new ATOM 1346 N SER A 84 23.670 7.478 12.251 1.00 10.00 N ATOM 1347 CA SER A 84 24.349 7.393 13.556 1.00 10.00 C ATOM 1348 C SER A 84 24.264 8.711 14.347 1.00 10.00 C ATOM 1349 O SER A 84 24.323 9.804 13.768 1.00 10.00 O ATOM 1350 CB SER A 84 25.815 6.993 13.350 1.00 10.00 C ATOM 1351 OG SER A 84 26.419 6.680 14.595 1.00 10.00 O ATOM 0 H SER A 84 24.294 7.321 11.459 1.00 10.00 H new ATOM 0 HA SER A 84 23.837 6.633 14.145 1.00 10.00 H new ATOM 0 HB2 SER A 84 25.874 6.133 12.683 1.00 10.00 H new ATOM 0 HB3 SER A 84 26.357 7.807 12.869 1.00 10.00 H new ATOM 0 HG SER A 84 27.354 6.425 14.450 1.00 10.00 H new ATOM 1357 N THR A 85 24.133 8.612 15.676 1.00 10.00 N ATOM 1358 CA THR A 85 23.996 9.738 16.624 1.00 10.00 C ATOM 1359 C THR A 85 24.477 9.359 18.032 1.00 10.00 C ATOM 1360 O THR A 85 25.191 10.177 18.660 1.00 10.00 O ATOM 1361 CB THR A 85 22.551 10.268 16.623 1.00 10.00 C ATOM 1362 OG1 THR A 85 22.457 11.434 17.415 1.00 10.00 O ATOM 1363 CG2 THR A 85 21.490 9.276 17.108 1.00 10.00 C ATOM 1364 OXT THR A 85 24.216 8.219 18.486 1.00 10.00 O ATOM 0 H THR A 85 24.118 7.707 16.146 1.00 10.00 H new ATOM 0 HA THR A 85 24.645 10.547 16.289 1.00 10.00 H new ATOM 0 HB THR A 85 22.336 10.467 15.573 1.00 10.00 H new ATOM 0 HG1 THR A 85 21.534 11.762 17.405 1.00 10.00 H new ATOM 0 HG21 THR A 85 20.507 9.746 17.069 1.00 10.00 H new ATOM 0 HG22 THR A 85 21.496 8.394 16.467 1.00 10.00 H new ATOM 0 HG23 THR A 85 21.710 8.980 18.134 1.00 10.00 H new TER 1372 THR A 85