USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 980 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 22 THR OG1 : rot 180:sc= 0.0536 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.138 X(o=-0.085,f=-0.037) USER MOD Set 2.1: A 7 THR OG1 : rot 127:sc= 1.71 USER MOD Set 2.2: A 9 THR OG1 : rot 177:sc= 0.698 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.16) USER MOD Set 3.2: B 686 GLN : amide:sc= 1.14 K(o=2.4,f=0.79) USER MOD Single : A 1 MET CE :methyl -174:sc= -0.0819 (180deg=-0.13) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.618 (180deg=0.598) USER MOD Single : A 2 GLN : amide:sc= -0.187 X(o=-0.19,f=0.019) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.986) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 0.929 (180deg=0.157) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0.779 (180deg=0.631) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 1.01 (180deg=0.976) USER MOD Single : A 40 GLN : amide:sc= 0.22 K(o=0.22,f=-3.8!) USER MOD Single : A 41 GLN : amide:sc= 0.787 K(o=0.79,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.18 K(o=1.2,f=-7.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0928 USER MOD Single : A 59 TYR OH : rot 60:sc= -0.796 USER MOD Single : A 60 ASN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.927) USER MOD Single : A 65 SER OG : rot 51:sc= 0.222 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0598 X(o=-0.06,f=-0.38) USER MOD Single : B -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -3 GLY N :NH3+ -122:sc= 0.0587 (180deg=0) USER MOD Single : B 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc= 0.00158 USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.0999 X(o=-0.1,f=-0.21) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.23) USER MOD Single : B 706 THR OG1 : rot 109:sc= 0.199 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD Single : B 711 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.051) USER MOD Single : B 714 HIS : no HD1:sc=-0.00483 K(o=-0.0048,f=-1.9!) USER MOD Single : B 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.246 1.632 0.378 1.00 0.00 N ATOM 2 CA MET A 1 2.070 1.518 -0.873 1.00 0.00 C ATOM 3 C MET A 1 1.836 2.700 -1.804 1.00 0.00 C ATOM 4 O MET A 1 0.829 3.367 -1.646 1.00 0.00 O ATOM 5 CB MET A 1 1.836 0.202 -1.661 1.00 0.00 C ATOM 6 CG MET A 1 0.471 -0.009 -2.342 1.00 0.00 C ATOM 7 SD MET A 1 0.347 -1.649 -3.113 1.00 0.00 S ATOM 8 CE MET A 1 -0.785 -1.364 -4.502 1.00 0.00 C ATOM 0 H1 MET A 1 1.351 0.765 0.943 1.00 0.00 H new ATOM 0 H2 MET A 1 1.570 2.449 0.934 1.00 0.00 H new ATOM 0 H3 MET A 1 0.246 1.761 0.124 1.00 0.00 H new ATOM 0 HA MET A 1 3.103 1.513 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.605 0.134 -2.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.997 -0.629 -0.975 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.324 0.107 -1.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.320 0.761 -3.099 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.020 -2.315 -4.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.704 -0.906 -4.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.313 -0.700 -5.226 1.00 0.00 H new ATOM 20 N GLN A 2 2.648 2.902 -2.852 1.00 0.00 N ATOM 21 CA GLN A 2 2.381 3.936 -3.864 1.00 0.00 C ATOM 22 C GLN A 2 2.305 3.340 -5.254 1.00 0.00 C ATOM 23 O GLN A 2 2.936 2.313 -5.497 1.00 0.00 O ATOM 24 CB GLN A 2 3.400 5.097 -3.767 1.00 0.00 C ATOM 25 CG GLN A 2 4.699 4.998 -4.586 1.00 0.00 C ATOM 26 CD GLN A 2 5.681 4.040 -3.941 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.586 4.408 -3.200 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.461 2.767 -4.209 1.00 0.00 N ATOM 0 H GLN A 2 3.497 2.362 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 2 1.401 4.366 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.889 6.013 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.676 5.211 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.470 4.662 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.153 5.985 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.697 2.501 -4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.054 2.049 -3.794 1.00 0.00 H new ATOM 37 N ILE A 3 1.638 4.030 -6.174 1.00 0.00 N ATOM 38 CA ILE A 3 1.590 3.666 -7.590 1.00 0.00 C ATOM 39 C ILE A 3 1.713 4.931 -8.415 1.00 0.00 C ATOM 40 O ILE A 3 1.425 6.016 -7.925 1.00 0.00 O ATOM 41 CB ILE A 3 0.303 2.880 -7.907 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.937 3.645 -7.402 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.408 1.466 -7.308 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.193 3.336 -8.205 1.00 0.00 C ATOM 0 H ILE A 3 1.106 4.872 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 3 2.420 3.006 -7.841 1.00 0.00 H new ATOM 0 HB ILE A 3 0.187 2.778 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.111 3.395 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.739 4.716 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.501 0.908 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.265 0.950 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.534 1.537 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.031 3.904 -7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.035 3.612 -9.248 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.413 2.270 -8.141 1.00 0.00 H new ATOM 56 N PHE A 4 2.135 4.773 -9.658 1.00 0.00 N ATOM 57 CA PHE A 4 2.527 5.842 -10.560 1.00 0.00 C ATOM 58 C PHE A 4 1.511 5.930 -11.682 1.00 0.00 C ATOM 59 O PHE A 4 1.550 5.178 -12.643 1.00 0.00 O ATOM 60 CB PHE A 4 3.934 5.559 -11.100 1.00 0.00 C ATOM 61 CG PHE A 4 4.927 4.965 -10.125 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.198 5.639 -8.927 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.601 3.767 -10.413 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.108 5.118 -8.001 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.559 3.279 -9.511 1.00 0.00 C ATOM 66 CZ PHE A 4 6.815 3.946 -8.302 1.00 0.00 C ATOM 0 H PHE A 4 2.217 3.851 -10.086 1.00 0.00 H new ATOM 0 HA PHE A 4 2.552 6.798 -10.038 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.843 4.881 -11.949 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.347 6.493 -11.480 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.698 6.573 -8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.384 3.225 -11.322 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.265 5.618 -7.057 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.106 2.379 -9.750 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.550 3.560 -7.611 1.00 0.00 H new ATOM 76 N VAL A 5 0.555 6.831 -11.583 1.00 0.00 N ATOM 77 CA VAL A 5 -0.465 6.954 -12.619 1.00 0.00 C ATOM 78 C VAL A 5 0.113 7.902 -13.654 1.00 0.00 C ATOM 79 O VAL A 5 0.182 9.106 -13.428 1.00 0.00 O ATOM 80 CB VAL A 5 -1.811 7.380 -12.019 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.908 7.453 -13.091 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.220 6.391 -10.922 1.00 0.00 C ATOM 0 H VAL A 5 0.458 7.485 -10.807 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.699 6.007 -13.105 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.693 8.377 -11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.848 7.758 -12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.625 8.180 -13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.031 6.473 -13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.176 6.695 -10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.313 5.392 -11.349 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.461 6.382 -10.139 1.00 0.00 H new ATOM 92 N LYS A 6 0.599 7.372 -14.774 1.00 0.00 N ATOM 93 CA LYS A 6 1.070 8.205 -15.867 1.00 0.00 C ATOM 94 C LYS A 6 -0.166 8.815 -16.489 1.00 0.00 C ATOM 95 O LYS A 6 -1.064 8.079 -16.901 1.00 0.00 O ATOM 96 CB LYS A 6 1.901 7.352 -16.841 1.00 0.00 C ATOM 97 CG LYS A 6 2.675 8.283 -17.789 1.00 0.00 C ATOM 98 CD LYS A 6 3.582 7.567 -18.804 1.00 0.00 C ATOM 99 CE LYS A 6 4.511 8.550 -19.548 1.00 0.00 C ATOM 100 NZ LYS A 6 5.522 7.852 -20.387 1.00 0.00 N ATOM 0 H LYS A 6 0.675 6.369 -14.944 1.00 0.00 H new ATOM 0 HA LYS A 6 1.735 9.006 -15.544 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.594 6.717 -16.288 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.249 6.691 -17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.959 8.898 -18.334 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.286 8.959 -17.191 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.185 6.820 -18.287 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.965 7.034 -19.527 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.911 9.206 -20.178 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.021 9.184 -18.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.251 8.530 -20.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.964 7.089 -19.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.058 7.448 -21.226 1.00 0.00 H new ATOM 114 N THR A 7 -0.251 10.139 -16.557 1.00 0.00 N ATOM 115 CA THR A 7 -1.308 10.727 -17.346 1.00 0.00 C ATOM 116 C THR A 7 -1.029 10.440 -18.795 1.00 0.00 C ATOM 117 O THR A 7 0.097 10.158 -19.177 1.00 0.00 O ATOM 118 CB THR A 7 -1.484 12.217 -17.096 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.256 12.858 -17.316 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.966 12.430 -15.676 1.00 0.00 C ATOM 0 H THR A 7 0.375 10.797 -16.093 1.00 0.00 H new ATOM 0 HA THR A 7 -2.255 10.277 -17.047 1.00 0.00 H new ATOM 0 HB THR A 7 -2.226 12.638 -17.775 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.379 13.591 -17.955 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.094 13.497 -15.491 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.919 11.920 -15.535 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.232 12.026 -14.978 1.00 0.00 H new ATOM 128 N LEU A 8 -2.049 10.578 -19.616 1.00 0.00 N ATOM 129 CA LEU A 8 -1.882 10.564 -21.055 1.00 0.00 C ATOM 130 C LEU A 8 -0.985 11.753 -21.494 1.00 0.00 C ATOM 131 O LEU A 8 -0.522 11.691 -22.624 1.00 0.00 O ATOM 132 CB LEU A 8 -3.284 10.566 -21.687 1.00 0.00 C ATOM 133 CG LEU A 8 -3.917 9.301 -22.276 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.374 9.548 -22.692 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.248 8.847 -23.563 1.00 0.00 C ATOM 0 H LEU A 8 -3.013 10.703 -19.307 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.364 9.669 -21.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.971 10.934 -20.925 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.267 11.308 -22.485 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.814 8.559 -21.485 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.795 8.632 -23.106 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.954 9.853 -21.821 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.409 10.336 -23.445 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.741 7.947 -23.931 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.326 9.636 -24.311 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.197 8.632 -23.371 1.00 0.00 H new ATOM 147 N THR A 9 -0.693 12.815 -20.704 1.00 0.00 N ATOM 148 CA THR A 9 0.353 13.784 -21.095 1.00 0.00 C ATOM 149 C THR A 9 1.708 13.130 -20.898 1.00 0.00 C ATOM 150 O THR A 9 2.653 13.341 -21.658 1.00 0.00 O ATOM 151 CB THR A 9 0.397 15.063 -20.237 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.465 14.980 -19.124 1.00 0.00 O ATOM 153 CG2 THR A 9 0.097 16.297 -21.070 1.00 0.00 C ATOM 0 H THR A 9 -1.154 13.017 -19.817 1.00 0.00 H new ATOM 0 HA THR A 9 0.122 14.061 -22.123 1.00 0.00 H new ATOM 0 HB THR A 9 1.413 15.156 -19.853 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.373 15.788 -18.578 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.136 17.182 -20.436 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.837 16.388 -21.865 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.897 16.208 -21.508 1.00 0.00 H new ATOM 161 N GLY A 10 1.782 12.361 -19.821 1.00 0.00 N ATOM 162 CA GLY A 10 2.974 11.726 -19.350 1.00 0.00 C ATOM 163 C GLY A 10 3.474 12.373 -18.079 1.00 0.00 C ATOM 164 O GLY A 10 4.665 12.289 -17.784 1.00 0.00 O ATOM 0 H GLY A 10 0.970 12.163 -19.236 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.779 10.669 -19.170 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.746 11.782 -20.117 1.00 0.00 H new ATOM 168 N LYS A 11 2.576 13.028 -17.334 1.00 0.00 N ATOM 169 CA LYS A 11 2.903 13.501 -16.002 1.00 0.00 C ATOM 170 C LYS A 11 2.540 12.347 -15.111 1.00 0.00 C ATOM 171 O LYS A 11 1.369 11.997 -15.009 1.00 0.00 O ATOM 172 CB LYS A 11 2.119 14.770 -15.666 1.00 0.00 C ATOM 173 CG LYS A 11 2.367 15.216 -14.209 1.00 0.00 C ATOM 174 CD LYS A 11 1.414 14.689 -13.122 1.00 0.00 C ATOM 175 CE LYS A 11 -0.077 14.714 -13.480 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.650 16.080 -13.602 1.00 0.00 N ATOM 0 H LYS A 11 1.625 13.237 -17.637 1.00 0.00 H new ATOM 0 HA LYS A 11 3.950 13.783 -15.889 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.409 15.570 -16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.054 14.593 -15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.380 14.921 -13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.334 16.305 -14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.695 13.663 -12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.562 15.278 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.222 14.185 -14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.632 14.166 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.688 16.020 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.354 16.655 -12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.309 16.522 -14.479 1.00 0.00 H new ATOM 190 N THR A 12 3.515 11.731 -14.487 1.00 0.00 N ATOM 191 CA THR A 12 3.251 10.606 -13.630 1.00 0.00 C ATOM 192 C THR A 12 2.881 11.148 -12.257 1.00 0.00 C ATOM 193 O THR A 12 3.710 11.747 -11.570 1.00 0.00 O ATOM 194 CB THR A 12 4.468 9.679 -13.664 1.00 0.00 C ATOM 195 OG1 THR A 12 4.985 9.594 -14.986 1.00 0.00 O ATOM 196 CG2 THR A 12 4.028 8.282 -13.265 1.00 0.00 C ATOM 0 H THR A 12 4.499 11.992 -14.558 1.00 0.00 H new ATOM 0 HA THR A 12 2.408 9.996 -13.956 1.00 0.00 H new ATOM 0 HB THR A 12 5.226 10.072 -12.987 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.764 9.000 -14.995 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.886 7.611 -13.285 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.609 8.306 -12.259 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.272 7.925 -13.964 1.00 0.00 H new ATOM 204 N ILE A 13 1.610 10.981 -11.890 1.00 0.00 N ATOM 205 CA ILE A 13 1.119 11.327 -10.569 1.00 0.00 C ATOM 206 C ILE A 13 1.284 10.074 -9.740 1.00 0.00 C ATOM 207 O ILE A 13 0.595 9.081 -9.954 1.00 0.00 O ATOM 208 CB ILE A 13 -0.320 11.909 -10.591 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.156 11.702 -9.297 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.196 11.581 -11.800 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.296 10.669 -9.314 1.00 0.00 C ATOM 0 H ILE A 13 0.894 10.600 -12.508 1.00 0.00 H new ATOM 0 HA ILE A 13 1.686 12.145 -10.125 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.052 12.962 -10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.468 11.422 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.586 12.665 -9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.172 12.052 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.720 11.956 -12.706 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.321 10.501 -11.876 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.780 10.645 -8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.026 10.946 -10.074 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.890 9.683 -9.542 1.00 0.00 H new ATOM 223 N THR A 14 2.215 10.111 -8.809 1.00 0.00 N ATOM 224 CA THR A 14 2.366 9.047 -7.844 1.00 0.00 C ATOM 225 C THR A 14 1.312 9.287 -6.767 1.00 0.00 C ATOM 226 O THR A 14 1.038 10.435 -6.402 1.00 0.00 O ATOM 227 CB THR A 14 3.810 9.049 -7.325 1.00 0.00 C ATOM 228 OG1 THR A 14 4.686 9.036 -8.441 1.00 0.00 O ATOM 229 CG2 THR A 14 4.107 7.824 -6.442 1.00 0.00 C ATOM 0 H THR A 14 2.883 10.875 -8.702 1.00 0.00 H new ATOM 0 HA THR A 14 2.204 8.053 -8.261 1.00 0.00 H new ATOM 0 HB THR A 14 3.955 9.941 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.615 9.039 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.140 7.866 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.437 7.824 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.955 6.913 -7.021 1.00 0.00 H new ATOM 237 N LEU A 15 0.703 8.217 -6.266 1.00 0.00 N ATOM 238 CA LEU A 15 -0.284 8.296 -5.204 1.00 0.00 C ATOM 239 C LEU A 15 -0.115 7.122 -4.290 1.00 0.00 C ATOM 240 O LEU A 15 0.381 6.098 -4.740 1.00 0.00 O ATOM 241 CB LEU A 15 -1.710 8.358 -5.774 1.00 0.00 C ATOM 242 CG LEU A 15 -2.289 7.094 -6.426 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.782 6.997 -6.132 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.127 7.157 -7.919 1.00 0.00 C ATOM 0 H LEU A 15 0.884 7.267 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.128 9.214 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.379 8.651 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.737 9.157 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.758 6.232 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.187 6.098 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.938 6.950 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.290 7.874 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.542 6.255 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.653 8.030 -8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.068 7.232 -8.167 1.00 0.00 H new ATOM 256 N GLU A 16 -0.581 7.229 -3.052 1.00 0.00 N ATOM 257 CA GLU A 16 -0.466 6.158 -2.079 1.00 0.00 C ATOM 258 C GLU A 16 -1.842 5.537 -1.855 1.00 0.00 C ATOM 259 O GLU A 16 -2.865 6.205 -1.679 1.00 0.00 O ATOM 260 CB GLU A 16 0.290 6.598 -0.815 1.00 0.00 C ATOM 261 CG GLU A 16 1.813 6.523 -1.054 1.00 0.00 C ATOM 262 CD GLU A 16 2.602 6.963 0.191 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.916 8.171 0.322 1.00 0.00 O ATOM 264 OE2 GLU A 16 2.927 6.096 1.040 1.00 0.00 O ATOM 0 H GLU A 16 -1.049 8.063 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 16 0.167 5.359 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.006 7.616 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.014 5.959 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.091 5.503 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.081 7.157 -1.899 1.00 0.00 H new ATOM 271 N VAL A 17 -1.825 4.216 -1.944 1.00 0.00 N ATOM 272 CA VAL A 17 -2.956 3.307 -2.009 1.00 0.00 C ATOM 273 C VAL A 17 -2.638 2.068 -1.162 1.00 0.00 C ATOM 274 O VAL A 17 -1.616 1.985 -0.481 1.00 0.00 O ATOM 275 CB VAL A 17 -3.203 2.952 -3.499 1.00 0.00 C ATOM 276 CG1 VAL A 17 -3.520 4.175 -4.362 1.00 0.00 C ATOM 277 CG2 VAL A 17 -1.992 2.231 -4.117 1.00 0.00 C ATOM 0 H VAL A 17 -0.940 3.709 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.864 3.758 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.072 2.294 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.682 3.861 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.419 4.663 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.685 4.874 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.201 1.998 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.115 2.876 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.801 1.308 -3.570 1.00 0.00 H new ATOM 287 N GLU A 18 -3.469 1.048 -1.319 1.00 0.00 N ATOM 288 CA GLU A 18 -3.296 -0.306 -0.802 1.00 0.00 C ATOM 289 C GLU A 18 -3.513 -1.226 -2.002 1.00 0.00 C ATOM 290 O GLU A 18 -4.176 -0.803 -2.948 1.00 0.00 O ATOM 291 CB GLU A 18 -4.348 -0.595 0.283 1.00 0.00 C ATOM 292 CG GLU A 18 -4.378 0.456 1.398 1.00 0.00 C ATOM 293 CD GLU A 18 -5.293 0.023 2.557 1.00 0.00 C ATOM 294 OE1 GLU A 18 -6.532 0.192 2.450 1.00 0.00 O ATOM 295 OE2 GLU A 18 -4.776 -0.481 3.586 1.00 0.00 O ATOM 0 H GLU A 18 -4.338 1.148 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.314 -0.449 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.333 -0.649 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.148 -1.573 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.367 0.620 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.726 1.407 0.994 1.00 0.00 H new ATOM 302 N PRO A 19 -3.048 -2.483 -2.009 1.00 0.00 N ATOM 303 CA PRO A 19 -3.449 -3.423 -3.060 1.00 0.00 C ATOM 304 C PRO A 19 -4.977 -3.614 -3.145 1.00 0.00 C ATOM 305 O PRO A 19 -5.515 -3.892 -4.213 1.00 0.00 O ATOM 306 CB PRO A 19 -2.717 -4.728 -2.746 1.00 0.00 C ATOM 307 CG PRO A 19 -1.625 -4.359 -1.750 1.00 0.00 C ATOM 308 CD PRO A 19 -2.168 -3.119 -1.041 1.00 0.00 C ATOM 0 HA PRO A 19 -3.178 -3.041 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.398 -5.467 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.292 -5.165 -3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.437 -5.170 -1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.681 -4.149 -2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.709 -3.389 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.361 -2.450 -0.743 1.00 0.00 H new ATOM 316 N SER A 20 -5.699 -3.373 -2.050 1.00 0.00 N ATOM 317 CA SER A 20 -7.144 -3.532 -1.950 1.00 0.00 C ATOM 318 C SER A 20 -7.836 -2.184 -2.118 1.00 0.00 C ATOM 319 O SER A 20 -9.034 -2.067 -1.851 1.00 0.00 O ATOM 320 CB SER A 20 -7.494 -4.199 -0.611 1.00 0.00 C ATOM 321 OG SER A 20 -6.709 -5.370 -0.418 1.00 0.00 O ATOM 0 H SER A 20 -5.276 -3.051 -1.180 1.00 0.00 H new ATOM 0 HA SER A 20 -7.502 -4.179 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.321 -3.499 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.553 -4.457 -0.592 1.00 0.00 H new ATOM 0 HG SER A 20 -6.942 -5.782 0.440 1.00 0.00 H new ATOM 327 N ASP A 21 -7.100 -1.151 -2.548 1.00 0.00 N ATOM 328 CA ASP A 21 -7.709 0.089 -2.938 1.00 0.00 C ATOM 329 C ASP A 21 -8.498 -0.218 -4.196 1.00 0.00 C ATOM 330 O ASP A 21 -7.975 -0.832 -5.136 1.00 0.00 O ATOM 331 CB ASP A 21 -6.654 1.170 -3.189 1.00 0.00 C ATOM 332 CG ASP A 21 -7.126 2.588 -2.867 1.00 0.00 C ATOM 333 OD1 ASP A 21 -7.721 2.773 -1.784 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.863 3.521 -3.652 1.00 0.00 O ATOM 0 H ASP A 21 -6.083 -1.167 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.354 0.481 -2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.771 0.947 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.348 1.129 -4.234 1.00 0.00 H new ATOM 339 N THR A 22 -9.777 0.127 -4.184 1.00 0.00 N ATOM 340 CA THR A 22 -10.629 -0.089 -5.327 1.00 0.00 C ATOM 341 C THR A 22 -10.319 0.978 -6.352 1.00 0.00 C ATOM 342 O THR A 22 -9.925 2.092 -6.010 1.00 0.00 O ATOM 343 CB THR A 22 -12.120 -0.045 -4.970 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.352 0.865 -3.913 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.674 -1.420 -4.613 1.00 0.00 C ATOM 0 H THR A 22 -10.243 0.560 -3.387 1.00 0.00 H new ATOM 0 HA THR A 22 -10.430 -1.087 -5.719 1.00 0.00 H new ATOM 0 HB THR A 22 -12.649 0.296 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.308 0.881 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.733 -1.333 -4.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.551 -2.093 -5.461 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.134 -1.818 -3.753 1.00 0.00 H new ATOM 353 N ILE A 23 -10.561 0.665 -7.617 1.00 0.00 N ATOM 354 CA ILE A 23 -10.528 1.644 -8.687 1.00 0.00 C ATOM 355 C ILE A 23 -11.459 2.820 -8.361 1.00 0.00 C ATOM 356 O ILE A 23 -11.092 3.944 -8.680 1.00 0.00 O ATOM 357 CB ILE A 23 -10.868 0.950 -10.009 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.954 -0.246 -10.342 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.858 1.944 -11.178 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.497 -0.191 -9.880 1.00 0.00 C ATOM 0 H ILE A 23 -10.786 -0.280 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.529 2.069 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.873 0.552 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.406 -1.140 -9.913 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.956 -0.376 -11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.103 1.421 -12.102 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.596 2.726 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.868 2.392 -11.266 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.983 -1.102 -10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.005 0.672 -10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.463 -0.104 -8.794 1.00 0.00 H new ATOM 372 N GLU A 24 -12.601 2.607 -7.696 1.00 0.00 N ATOM 373 CA GLU A 24 -13.446 3.690 -7.191 1.00 0.00 C ATOM 374 C GLU A 24 -12.614 4.663 -6.348 1.00 0.00 C ATOM 375 O GLU A 24 -12.603 5.866 -6.625 1.00 0.00 O ATOM 376 CB GLU A 24 -14.611 3.096 -6.380 1.00 0.00 C ATOM 377 CG GLU A 24 -15.560 4.180 -5.844 1.00 0.00 C ATOM 378 CD GLU A 24 -16.788 3.586 -5.126 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.624 2.767 -4.186 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.933 3.982 -5.456 1.00 0.00 O ATOM 0 H GLU A 24 -12.964 1.675 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.861 4.252 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.172 2.403 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.213 2.519 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.017 4.825 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.894 4.807 -6.671 1.00 0.00 H new ATOM 387 N ASN A 25 -11.869 4.142 -5.366 1.00 0.00 N ATOM 388 CA ASN A 25 -11.019 4.966 -4.510 1.00 0.00 C ATOM 389 C ASN A 25 -9.938 5.615 -5.333 1.00 0.00 C ATOM 390 O ASN A 25 -9.760 6.817 -5.241 1.00 0.00 O ATOM 391 CB ASN A 25 -10.275 4.178 -3.435 1.00 0.00 C ATOM 392 CG ASN A 25 -11.101 3.319 -2.517 1.00 0.00 C ATOM 393 OD1 ASN A 25 -12.293 3.502 -2.300 1.00 0.00 O ATOM 394 ND2 ASN A 25 -10.395 2.342 -1.986 1.00 0.00 N ATOM 0 H ASN A 25 -11.840 3.146 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.701 5.676 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.544 3.538 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.716 4.886 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.839 1.679 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.404 2.248 -2.211 1.00 0.00 H new ATOM 401 N VAL A 26 -9.218 4.833 -6.129 1.00 0.00 N ATOM 402 CA VAL A 26 -8.070 5.278 -6.897 1.00 0.00 C ATOM 403 C VAL A 26 -8.507 6.432 -7.780 1.00 0.00 C ATOM 404 O VAL A 26 -7.907 7.492 -7.702 1.00 0.00 O ATOM 405 CB VAL A 26 -7.554 4.086 -7.700 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.519 4.510 -8.738 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.950 2.980 -6.831 1.00 0.00 C ATOM 0 H VAL A 26 -9.426 3.843 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.258 5.636 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.437 3.683 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.176 3.634 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.969 5.221 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.672 4.978 -8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.604 2.165 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.109 3.380 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.706 2.606 -6.141 1.00 0.00 H new ATOM 417 N LYS A 27 -9.566 6.291 -8.577 1.00 0.00 N ATOM 418 CA LYS A 27 -10.059 7.398 -9.389 1.00 0.00 C ATOM 419 C LYS A 27 -10.397 8.620 -8.538 1.00 0.00 C ATOM 420 O LYS A 27 -10.106 9.736 -8.961 1.00 0.00 O ATOM 421 CB LYS A 27 -11.315 6.978 -10.172 1.00 0.00 C ATOM 422 CG LYS A 27 -11.140 5.940 -11.292 1.00 0.00 C ATOM 423 CD LYS A 27 -12.535 5.667 -11.889 1.00 0.00 C ATOM 424 CE LYS A 27 -12.504 4.745 -13.119 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.818 4.736 -13.846 1.00 0.00 N ATOM 0 H LYS A 27 -10.095 5.425 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.259 7.663 -10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.040 6.584 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.754 7.875 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.461 6.313 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.704 5.021 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.168 5.218 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.995 6.615 -12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.716 5.072 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.255 3.731 -12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.027 3.771 -14.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.572 5.055 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.766 5.376 -14.664 1.00 0.00 H new ATOM 439 N ALA A 28 -10.969 8.454 -7.347 1.00 0.00 N ATOM 440 CA ALA A 28 -11.229 9.590 -6.459 1.00 0.00 C ATOM 441 C ALA A 28 -9.913 10.195 -5.958 1.00 0.00 C ATOM 442 O ALA A 28 -9.783 11.413 -5.892 1.00 0.00 O ATOM 443 CB ALA A 28 -12.118 9.171 -5.287 1.00 0.00 C ATOM 0 H ALA A 28 -11.261 7.550 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.760 10.354 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.298 10.030 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.069 8.798 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.622 8.386 -4.716 1.00 0.00 H new ATOM 449 N LYS A 29 -8.899 9.369 -5.685 1.00 0.00 N ATOM 450 CA LYS A 29 -7.560 9.828 -5.355 1.00 0.00 C ATOM 451 C LYS A 29 -6.986 10.607 -6.549 1.00 0.00 C ATOM 452 O LYS A 29 -6.367 11.649 -6.382 1.00 0.00 O ATOM 453 CB LYS A 29 -6.670 8.632 -4.942 1.00 0.00 C ATOM 454 CG LYS A 29 -7.177 7.725 -3.786 1.00 0.00 C ATOM 455 CD LYS A 29 -6.057 7.530 -2.758 1.00 0.00 C ATOM 456 CE LYS A 29 -6.536 6.676 -1.580 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.526 6.649 -0.477 1.00 0.00 N ATOM 0 H LYS A 29 -8.993 8.353 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.592 10.503 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.521 8.005 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.692 9.022 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.047 8.177 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.495 6.760 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.201 7.052 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.719 8.500 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.479 7.071 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.731 5.659 -1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.753 5.878 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.579 6.495 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.543 7.556 0.032 1.00 0.00 H new ATOM 471 N ILE A 30 -7.259 10.170 -7.781 1.00 0.00 N ATOM 472 CA ILE A 30 -6.780 10.860 -8.982 1.00 0.00 C ATOM 473 C ILE A 30 -7.477 12.204 -9.065 1.00 0.00 C ATOM 474 O ILE A 30 -6.823 13.181 -9.356 1.00 0.00 O ATOM 475 CB ILE A 30 -7.021 10.066 -10.285 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.467 8.633 -10.318 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.435 10.836 -11.484 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.287 8.379 -9.387 1.00 0.00 C ATOM 0 H ILE A 30 -7.813 9.336 -7.974 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.700 10.973 -8.892 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.105 9.968 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.270 7.943 -10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.163 8.400 -11.338 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.608 10.270 -12.400 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.918 11.810 -11.562 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.363 10.973 -11.340 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.966 7.341 -9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.463 9.039 -9.656 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.587 8.574 -8.358 1.00 0.00 H new ATOM 490 N GLN A 31 -8.769 12.285 -8.789 1.00 0.00 N ATOM 491 CA GLN A 31 -9.493 13.539 -8.740 1.00 0.00 C ATOM 492 C GLN A 31 -8.849 14.466 -7.715 1.00 0.00 C ATOM 493 O GLN A 31 -8.732 15.659 -7.976 1.00 0.00 O ATOM 494 CB GLN A 31 -10.971 13.298 -8.415 1.00 0.00 C ATOM 495 CG GLN A 31 -11.816 14.573 -8.613 1.00 0.00 C ATOM 496 CD GLN A 31 -12.434 15.050 -7.303 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.759 15.554 -6.409 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.735 14.865 -7.168 1.00 0.00 N ATOM 0 H GLN A 31 -9.349 11.470 -8.591 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.444 14.016 -9.719 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.358 12.503 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.065 12.956 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.191 15.363 -9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.606 14.377 -9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.272 14.444 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.203 15.143 -6.305 1.00 0.00 H new ATOM 507 N ASP A 32 -8.363 13.915 -6.604 1.00 0.00 N ATOM 508 CA ASP A 32 -7.681 14.718 -5.606 1.00 0.00 C ATOM 509 C ASP A 32 -6.349 15.251 -6.150 1.00 0.00 C ATOM 510 O ASP A 32 -5.935 16.339 -5.739 1.00 0.00 O ATOM 511 CB ASP A 32 -7.483 13.934 -4.307 1.00 0.00 C ATOM 512 CG ASP A 32 -6.856 14.828 -3.218 1.00 0.00 C ATOM 513 OD1 ASP A 32 -7.554 15.741 -2.717 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.686 14.592 -2.833 1.00 0.00 O ATOM 0 H ASP A 32 -8.431 12.923 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.312 15.577 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.442 13.548 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.841 13.073 -4.491 1.00 0.00 H new ATOM 519 N LYS A 33 -5.696 14.555 -7.106 1.00 0.00 N ATOM 520 CA LYS A 33 -4.387 14.981 -7.611 1.00 0.00 C ATOM 521 C LYS A 33 -4.439 15.713 -8.962 1.00 0.00 C ATOM 522 O LYS A 33 -3.560 16.523 -9.249 1.00 0.00 O ATOM 523 CB LYS A 33 -3.405 13.820 -7.524 1.00 0.00 C ATOM 524 CG LYS A 33 -3.342 13.317 -6.066 1.00 0.00 C ATOM 525 CD LYS A 33 -2.042 12.592 -5.697 1.00 0.00 C ATOM 526 CE LYS A 33 -0.834 13.550 -5.634 1.00 0.00 C ATOM 527 NZ LYS A 33 0.385 12.903 -5.066 1.00 0.00 N ATOM 0 H LYS A 33 -6.056 13.703 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.003 15.767 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.718 13.013 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.416 14.139 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.471 14.167 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.181 12.643 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.164 12.101 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.844 11.810 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.613 13.915 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.095 14.418 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.198 13.543 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.232 12.699 -4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.575 12.015 -5.573 1.00 0.00 H new ATOM 541 N GLU A 34 -5.505 15.499 -9.732 1.00 0.00 N ATOM 542 CA GLU A 34 -5.655 15.934 -11.116 1.00 0.00 C ATOM 543 C GLU A 34 -6.841 16.871 -11.308 1.00 0.00 C ATOM 544 O GLU A 34 -6.767 17.804 -12.108 1.00 0.00 O ATOM 545 CB GLU A 34 -5.859 14.694 -12.005 1.00 0.00 C ATOM 546 CG GLU A 34 -4.627 13.784 -12.048 1.00 0.00 C ATOM 547 CD GLU A 34 -3.353 14.572 -12.386 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.241 15.109 -13.510 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.455 14.664 -11.522 1.00 0.00 O ATOM 0 H GLU A 34 -6.323 14.995 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.752 16.480 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.712 14.125 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.103 15.015 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.505 13.290 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.779 13.001 -12.790 1.00 0.00 H new ATOM 556 N GLY A 35 -7.928 16.632 -10.575 1.00 0.00 N ATOM 557 CA GLY A 35 -9.128 17.452 -10.634 1.00 0.00 C ATOM 558 C GLY A 35 -10.083 16.948 -11.713 1.00 0.00 C ATOM 559 O GLY A 35 -10.830 17.744 -12.284 1.00 0.00 O ATOM 0 H GLY A 35 -7.997 15.855 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.629 17.440 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.856 18.487 -10.839 1.00 0.00 H new ATOM 563 N ILE A 36 -10.057 15.639 -12.005 1.00 0.00 N ATOM 564 CA ILE A 36 -10.942 15.023 -12.981 1.00 0.00 C ATOM 565 C ILE A 36 -11.913 14.211 -12.149 1.00 0.00 C ATOM 566 O ILE A 36 -11.429 13.389 -11.371 1.00 0.00 O ATOM 567 CB ILE A 36 -10.168 14.079 -13.909 1.00 0.00 C ATOM 568 CG1 ILE A 36 -8.989 14.753 -14.624 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.136 13.492 -14.952 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.016 13.669 -15.062 1.00 0.00 C ATOM 0 H ILE A 36 -9.414 14.982 -11.563 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.426 15.769 -13.611 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.743 13.295 -13.282 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.341 15.319 -15.487 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.495 15.461 -13.958 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.592 12.820 -15.615 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.927 12.940 -14.444 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.576 14.301 -15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.169 14.126 -15.573 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.661 13.124 -14.188 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.520 12.980 -15.739 1.00 0.00 H new ATOM 582 N PRO A 37 -13.232 14.353 -12.308 1.00 0.00 N ATOM 583 CA PRO A 37 -14.189 13.545 -11.571 1.00 0.00 C ATOM 584 C PRO A 37 -13.954 12.058 -11.847 1.00 0.00 C ATOM 585 O PRO A 37 -13.624 11.700 -12.977 1.00 0.00 O ATOM 586 CB PRO A 37 -15.575 14.037 -11.982 1.00 0.00 C ATOM 587 CG PRO A 37 -15.336 15.248 -12.894 1.00 0.00 C ATOM 588 CD PRO A 37 -13.879 15.144 -13.330 1.00 0.00 C ATOM 0 HA PRO A 37 -14.081 13.650 -10.491 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.128 13.257 -12.505 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.166 14.315 -11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.006 15.231 -13.754 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.522 16.182 -12.364 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.794 14.670 -14.308 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.422 16.130 -13.413 1.00 0.00 H new ATOM 596 N PRO A 38 -14.138 11.165 -10.861 1.00 0.00 N ATOM 597 CA PRO A 38 -13.929 9.739 -11.081 1.00 0.00 C ATOM 598 C PRO A 38 -14.861 9.207 -12.152 1.00 0.00 C ATOM 599 O PRO A 38 -14.449 8.395 -12.973 1.00 0.00 O ATOM 600 CB PRO A 38 -14.188 9.068 -9.737 1.00 0.00 C ATOM 601 CG PRO A 38 -15.018 10.070 -8.941 1.00 0.00 C ATOM 602 CD PRO A 38 -14.564 11.422 -9.486 1.00 0.00 C ATOM 0 HA PRO A 38 -12.919 9.535 -11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.723 8.127 -9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.253 8.837 -9.226 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.086 9.915 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.831 9.985 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.375 12.150 -9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.747 11.830 -8.892 1.00 0.00 H new ATOM 610 N ASP A 39 -16.081 9.738 -12.215 1.00 0.00 N ATOM 611 CA ASP A 39 -17.084 9.267 -13.165 1.00 0.00 C ATOM 612 C ASP A 39 -16.695 9.557 -14.619 1.00 0.00 C ATOM 613 O ASP A 39 -17.256 8.960 -15.534 1.00 0.00 O ATOM 614 CB ASP A 39 -18.442 9.881 -12.806 1.00 0.00 C ATOM 615 CG ASP A 39 -19.592 9.308 -13.660 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.942 8.116 -13.476 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.163 10.052 -14.490 1.00 0.00 O ATOM 0 H ASP A 39 -16.399 10.499 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.150 8.182 -13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.652 9.701 -11.752 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.396 10.962 -12.942 1.00 0.00 H new ATOM 622 N GLN A 40 -15.686 10.415 -14.843 1.00 0.00 N ATOM 623 CA GLN A 40 -15.168 10.750 -16.173 1.00 0.00 C ATOM 624 C GLN A 40 -13.862 10.014 -16.479 1.00 0.00 C ATOM 625 O GLN A 40 -13.419 10.028 -17.626 1.00 0.00 O ATOM 626 CB GLN A 40 -15.014 12.286 -16.275 1.00 0.00 C ATOM 627 CG GLN A 40 -14.608 12.829 -17.662 1.00 0.00 C ATOM 628 CD GLN A 40 -15.633 12.560 -18.765 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.518 11.632 -19.565 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.673 13.375 -18.833 1.00 0.00 N ATOM 0 H GLN A 40 -15.201 10.902 -14.089 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.877 10.415 -16.931 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.959 12.747 -15.987 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.268 12.607 -15.547 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.447 13.904 -17.586 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.656 12.383 -17.950 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.764 14.143 -18.168 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.384 13.236 -19.551 1.00 0.00 H new ATOM 639 N GLN A 41 -13.215 9.366 -15.510 1.00 0.00 N ATOM 640 CA GLN A 41 -11.956 8.680 -15.765 1.00 0.00 C ATOM 641 C GLN A 41 -12.223 7.299 -16.335 1.00 0.00 C ATOM 642 O GLN A 41 -13.148 6.608 -15.919 1.00 0.00 O ATOM 643 CB GLN A 41 -11.164 8.539 -14.449 1.00 0.00 C ATOM 644 CG GLN A 41 -10.488 9.845 -13.993 1.00 0.00 C ATOM 645 CD GLN A 41 -10.066 9.742 -12.539 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.410 8.782 -12.169 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.464 10.660 -11.672 1.00 0.00 N ATOM 0 H GLN A 41 -13.543 9.304 -14.546 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.377 9.262 -16.482 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.838 8.195 -13.664 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.402 7.770 -14.574 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.618 10.049 -14.617 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.175 10.682 -14.121 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.012 11.459 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.223 10.568 -10.685 1.00 0.00 H new ATOM 656 N ARG A 42 -11.309 6.864 -17.189 1.00 0.00 N ATOM 657 CA ARG A 42 -11.238 5.530 -17.761 1.00 0.00 C ATOM 658 C ARG A 42 -9.828 5.090 -17.410 1.00 0.00 C ATOM 659 O ARG A 42 -8.876 5.601 -17.974 1.00 0.00 O ATOM 660 CB ARG A 42 -11.537 5.677 -19.259 1.00 0.00 C ATOM 661 CG ARG A 42 -11.729 4.369 -20.030 1.00 0.00 C ATOM 662 CD ARG A 42 -12.132 4.681 -21.486 1.00 0.00 C ATOM 663 NE ARG A 42 -12.635 3.499 -22.215 1.00 0.00 N ATOM 664 CZ ARG A 42 -13.372 3.488 -23.337 1.00 0.00 C ATOM 665 NH1 ARG A 42 -13.737 4.614 -23.946 1.00 0.00 N ATOM 666 NH2 ARG A 42 -13.744 2.324 -23.850 1.00 0.00 N ATOM 0 H ARG A 42 -10.555 7.467 -17.519 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.945 4.783 -17.399 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.438 6.280 -19.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.721 6.233 -19.721 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.808 3.787 -20.014 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.498 3.762 -19.551 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.900 5.454 -21.486 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.270 5.087 -22.016 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.395 2.589 -21.822 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.456 5.516 -23.561 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.297 4.575 -24.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.470 1.454 -23.393 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.304 2.298 -24.702 1.00 0.00 H new ATOM 680 N LEU A 43 -9.679 4.316 -16.347 1.00 0.00 N ATOM 681 CA LEU A 43 -8.352 3.990 -15.830 1.00 0.00 C ATOM 682 C LEU A 43 -7.895 2.789 -16.620 1.00 0.00 C ATOM 683 O LEU A 43 -8.693 1.888 -16.845 1.00 0.00 O ATOM 684 CB LEU A 43 -8.441 3.681 -14.322 1.00 0.00 C ATOM 685 CG LEU A 43 -7.313 4.303 -13.491 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.296 5.845 -13.558 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.569 3.900 -12.037 1.00 0.00 C ATOM 0 H LEU A 43 -10.452 3.902 -15.826 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.646 4.814 -15.937 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.398 4.041 -13.944 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.428 2.600 -14.182 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.358 3.950 -13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.476 6.227 -12.950 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.160 6.163 -14.592 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.240 6.236 -13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.790 4.320 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.540 4.280 -11.720 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.559 2.813 -11.954 1.00 0.00 H new ATOM 699 N ILE A 44 -6.641 2.763 -17.035 1.00 0.00 N ATOM 700 CA ILE A 44 -6.090 1.660 -17.815 1.00 0.00 C ATOM 701 C ILE A 44 -4.855 1.167 -17.075 1.00 0.00 C ATOM 702 O ILE A 44 -4.185 1.937 -16.387 1.00 0.00 O ATOM 703 CB ILE A 44 -5.860 2.112 -19.284 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.223 2.566 -19.870 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.199 1.020 -20.143 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.308 2.741 -21.390 1.00 0.00 C ATOM 0 H ILE A 44 -5.971 3.507 -16.842 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.771 0.814 -17.904 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.157 2.945 -19.295 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.978 1.839 -19.571 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.492 3.515 -19.405 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.062 1.390 -21.159 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.230 0.760 -19.718 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.836 0.136 -20.161 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.314 3.060 -21.664 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.588 3.494 -21.710 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.083 1.793 -21.879 1.00 0.00 H new ATOM 718 N PHE A 45 -4.542 -0.112 -17.237 1.00 0.00 N ATOM 719 CA PHE A 45 -3.313 -0.702 -16.742 1.00 0.00 C ATOM 720 C PHE A 45 -2.900 -1.763 -17.742 1.00 0.00 C ATOM 721 O PHE A 45 -3.668 -2.688 -17.971 1.00 0.00 O ATOM 722 CB PHE A 45 -3.575 -1.331 -15.372 1.00 0.00 C ATOM 723 CG PHE A 45 -2.430 -2.184 -14.893 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.187 -1.576 -14.685 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.592 -3.568 -14.701 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.101 -2.347 -14.235 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.517 -4.337 -14.228 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.282 -3.720 -13.976 1.00 0.00 C ATOM 0 H PHE A 45 -5.146 -0.775 -17.723 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.525 0.042 -16.630 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.763 -0.541 -14.645 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.478 -1.939 -15.423 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.062 -0.519 -14.869 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.540 -4.038 -14.917 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.866 -1.890 -14.089 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.640 -5.397 -14.059 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.537 -4.303 -13.580 1.00 0.00 H new ATOM 738 N ALA A 46 -1.727 -1.624 -18.362 1.00 0.00 N ATOM 739 CA ALA A 46 -1.162 -2.605 -19.299 1.00 0.00 C ATOM 740 C ALA A 46 -2.147 -3.029 -20.409 1.00 0.00 C ATOM 741 O ALA A 46 -2.176 -4.179 -20.849 1.00 0.00 O ATOM 742 CB ALA A 46 -0.634 -3.788 -18.488 1.00 0.00 C ATOM 0 H ALA A 46 -1.128 -0.810 -18.226 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.340 -2.142 -19.844 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.209 -4.531 -19.163 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.136 -3.442 -17.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.452 -4.236 -17.924 1.00 0.00 H new ATOM 748 N GLY A 47 -2.996 -2.083 -20.818 1.00 0.00 N ATOM 749 CA GLY A 47 -4.017 -2.248 -21.858 1.00 0.00 C ATOM 750 C GLY A 47 -5.387 -2.676 -21.334 1.00 0.00 C ATOM 751 O GLY A 47 -6.353 -2.653 -22.096 1.00 0.00 O ATOM 0 H GLY A 47 -2.992 -1.144 -20.419 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.125 -1.307 -22.397 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.669 -2.989 -22.578 1.00 0.00 H new ATOM 755 N LYS A 48 -5.514 -3.034 -20.049 1.00 0.00 N ATOM 756 CA LYS A 48 -6.780 -3.409 -19.433 1.00 0.00 C ATOM 757 C LYS A 48 -7.402 -2.149 -18.884 1.00 0.00 C ATOM 758 O LYS A 48 -6.760 -1.438 -18.134 1.00 0.00 O ATOM 759 CB LYS A 48 -6.574 -4.413 -18.279 1.00 0.00 C ATOM 760 CG LYS A 48 -6.297 -5.846 -18.753 1.00 0.00 C ATOM 761 CD LYS A 48 -4.889 -6.063 -19.335 1.00 0.00 C ATOM 762 CE LYS A 48 -4.648 -7.556 -19.599 1.00 0.00 C ATOM 763 NZ LYS A 48 -3.299 -7.816 -20.174 1.00 0.00 N ATOM 0 H LYS A 48 -4.724 -3.070 -19.404 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.417 -3.887 -20.177 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.742 -4.077 -17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.462 -4.414 -17.646 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.439 -6.527 -17.914 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.035 -6.114 -19.509 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.780 -5.500 -20.262 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.139 -5.683 -18.642 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.756 -8.110 -18.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.410 -7.930 -20.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.181 -8.837 -20.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.203 -7.309 -21.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.569 -7.484 -19.511 1.00 0.00 H new ATOM 777 N GLN A 49 -8.622 -1.840 -19.261 1.00 0.00 N ATOM 778 CA GLN A 49 -9.411 -0.783 -18.629 1.00 0.00 C ATOM 779 C GLN A 49 -9.921 -1.367 -17.312 1.00 0.00 C ATOM 780 O GLN A 49 -10.274 -2.547 -17.263 1.00 0.00 O ATOM 781 CB GLN A 49 -10.602 -0.416 -19.524 1.00 0.00 C ATOM 782 CG GLN A 49 -10.140 0.284 -20.811 1.00 0.00 C ATOM 783 CD GLN A 49 -11.119 0.056 -21.958 1.00 0.00 C ATOM 784 OE1 GLN A 49 -12.137 0.730 -22.055 1.00 0.00 O ATOM 785 NE2 GLN A 49 -10.852 -0.889 -22.848 1.00 0.00 N ATOM 0 H GLN A 49 -9.108 -2.315 -20.022 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.818 0.117 -18.469 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.160 -1.317 -19.778 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.283 0.236 -18.977 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.037 1.353 -20.627 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.155 -0.087 -21.094 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.002 -1.446 -22.761 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.496 -1.059 -23.620 1.00 0.00 H new ATOM 794 N LEU A 50 -9.964 -0.548 -16.264 1.00 0.00 N ATOM 795 CA LEU A 50 -10.310 -1.010 -14.920 1.00 0.00 C ATOM 796 C LEU A 50 -11.642 -0.396 -14.522 1.00 0.00 C ATOM 797 O LEU A 50 -11.839 0.799 -14.736 1.00 0.00 O ATOM 798 CB LEU A 50 -9.192 -0.687 -13.899 1.00 0.00 C ATOM 799 CG LEU A 50 -7.741 -0.702 -14.406 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.791 -0.312 -13.268 1.00 0.00 C ATOM 801 CD2 LEU A 50 -7.321 -2.050 -14.981 1.00 0.00 C ATOM 0 H LEU A 50 -9.761 0.450 -16.320 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.406 -2.096 -14.923 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.392 0.300 -13.482 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.269 -1.401 -13.079 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.684 0.023 -15.218 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.763 -0.324 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.039 0.689 -12.914 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.894 -1.023 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.287 -1.994 -15.321 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.409 -2.817 -14.212 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.966 -2.304 -15.822 1.00 0.00 H new ATOM 813 N GLU A 51 -12.543 -1.188 -13.931 1.00 0.00 N ATOM 814 CA GLU A 51 -13.861 -0.716 -13.514 1.00 0.00 C ATOM 815 C GLU A 51 -13.834 -0.442 -12.013 1.00 0.00 C ATOM 816 O GLU A 51 -13.039 -1.027 -11.280 1.00 0.00 O ATOM 817 CB GLU A 51 -14.985 -1.670 -13.966 1.00 0.00 C ATOM 818 CG GLU A 51 -15.157 -2.920 -13.100 1.00 0.00 C ATOM 819 CD GLU A 51 -16.172 -3.907 -13.713 1.00 0.00 C ATOM 820 OE1 GLU A 51 -17.389 -3.597 -13.744 1.00 0.00 O ATOM 821 OE2 GLU A 51 -15.756 -5.016 -14.134 1.00 0.00 O ATOM 0 H GLU A 51 -12.376 -2.174 -13.730 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.097 0.224 -14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.926 -1.120 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.787 -1.981 -14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.194 -3.416 -12.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.489 -2.629 -12.104 1.00 0.00 H new ATOM 828 N ASP A 52 -14.708 0.452 -11.556 1.00 0.00 N ATOM 829 CA ASP A 52 -14.713 1.025 -10.207 1.00 0.00 C ATOM 830 C ASP A 52 -14.778 -0.028 -9.103 1.00 0.00 C ATOM 831 O ASP A 52 -14.144 0.143 -8.059 1.00 0.00 O ATOM 832 CB ASP A 52 -15.850 2.047 -10.055 1.00 0.00 C ATOM 833 CG ASP A 52 -17.215 1.399 -9.750 1.00 0.00 C ATOM 834 OD1 ASP A 52 -17.837 0.855 -10.693 1.00 0.00 O ATOM 835 OD2 ASP A 52 -17.662 1.442 -8.582 1.00 0.00 O ATOM 0 H ASP A 52 -15.464 0.813 -12.137 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.757 1.535 -10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.599 2.743 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.929 2.631 -10.972 1.00 0.00 H new ATOM 840 N GLY A 53 -15.474 -1.136 -9.355 1.00 0.00 N ATOM 841 CA GLY A 53 -15.728 -2.176 -8.368 1.00 0.00 C ATOM 842 C GLY A 53 -14.552 -3.130 -8.154 1.00 0.00 C ATOM 843 O GLY A 53 -14.687 -4.099 -7.402 1.00 0.00 O ATOM 0 H GLY A 53 -15.883 -1.336 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.980 -1.707 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.599 -2.753 -8.679 1.00 0.00 H new ATOM 847 N ARG A 54 -13.407 -2.902 -8.809 1.00 0.00 N ATOM 848 CA ARG A 54 -12.258 -3.799 -8.775 1.00 0.00 C ATOM 849 C ARG A 54 -11.148 -3.142 -7.997 1.00 0.00 C ATOM 850 O ARG A 54 -11.263 -1.976 -7.660 1.00 0.00 O ATOM 851 CB ARG A 54 -11.872 -4.129 -10.215 1.00 0.00 C ATOM 852 CG ARG A 54 -12.931 -5.059 -10.828 1.00 0.00 C ATOM 853 CD ARG A 54 -12.563 -5.493 -12.244 1.00 0.00 C ATOM 854 NE ARG A 54 -13.618 -6.315 -12.857 1.00 0.00 N ATOM 855 CZ ARG A 54 -13.733 -7.645 -12.831 1.00 0.00 C ATOM 856 NH1 ARG A 54 -12.844 -8.400 -12.189 1.00 0.00 N ATOM 857 NH2 ARG A 54 -14.757 -8.209 -13.463 1.00 0.00 N ATOM 0 H ARG A 54 -13.256 -2.074 -9.385 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.485 -4.738 -8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.794 -3.213 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.893 -4.608 -10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.047 -5.941 -10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.895 -4.550 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.386 -4.611 -12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.631 -6.057 -12.220 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.347 -5.810 -13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.059 -7.964 -11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.948 -9.415 -12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.436 -7.628 -13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.864 -9.223 -13.456 1.00 0.00 H new ATOM 871 N THR A 55 -10.068 -3.847 -7.712 1.00 0.00 N ATOM 872 CA THR A 55 -8.979 -3.350 -6.890 1.00 0.00 C ATOM 873 C THR A 55 -7.679 -3.532 -7.637 1.00 0.00 C ATOM 874 O THR A 55 -7.608 -4.245 -8.637 1.00 0.00 O ATOM 875 CB THR A 55 -8.942 -4.112 -5.560 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.983 -5.502 -5.825 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.096 -3.746 -4.634 1.00 0.00 C ATOM 0 H THR A 55 -9.920 -4.798 -8.051 1.00 0.00 H new ATOM 0 HA THR A 55 -9.128 -2.291 -6.677 1.00 0.00 H new ATOM 0 HB THR A 55 -8.019 -3.833 -5.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.958 -5.997 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.016 -4.317 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.056 -2.681 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.042 -3.978 -5.123 1.00 0.00 H new ATOM 885 N LEU A 56 -6.632 -2.902 -7.127 1.00 0.00 N ATOM 886 CA LEU A 56 -5.303 -3.033 -7.712 1.00 0.00 C ATOM 887 C LEU A 56 -4.870 -4.502 -7.727 1.00 0.00 C ATOM 888 O LEU A 56 -4.448 -5.018 -8.760 1.00 0.00 O ATOM 889 CB LEU A 56 -4.331 -2.110 -6.954 1.00 0.00 C ATOM 890 CG LEU A 56 -4.794 -0.642 -6.942 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.730 0.242 -6.312 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.089 -0.124 -8.357 1.00 0.00 C ATOM 0 H LEU A 56 -6.675 -2.294 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.306 -2.715 -8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.227 -2.462 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.345 -2.172 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.713 -0.603 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.071 1.277 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.548 -0.082 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.807 0.165 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.413 0.915 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.187 -0.192 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.877 -0.727 -8.808 1.00 0.00 H new ATOM 904 N SER A 57 -5.102 -5.205 -6.629 1.00 0.00 N ATOM 905 CA SER A 57 -4.883 -6.643 -6.517 1.00 0.00 C ATOM 906 C SER A 57 -5.730 -7.449 -7.502 1.00 0.00 C ATOM 907 O SER A 57 -5.249 -8.480 -7.967 1.00 0.00 O ATOM 908 CB SER A 57 -5.173 -7.124 -5.098 1.00 0.00 C ATOM 909 OG SER A 57 -4.026 -6.957 -4.296 1.00 0.00 O ATOM 0 H SER A 57 -5.456 -4.784 -5.770 1.00 0.00 H new ATOM 0 HA SER A 57 -3.834 -6.811 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.008 -6.563 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.469 -8.173 -5.113 1.00 0.00 H new ATOM 0 HG SER A 57 -4.216 -7.265 -3.385 1.00 0.00 H new ATOM 915 N ASP A 58 -6.931 -6.997 -7.884 1.00 0.00 N ATOM 916 CA ASP A 58 -7.753 -7.746 -8.834 1.00 0.00 C ATOM 917 C ASP A 58 -7.106 -7.758 -10.224 1.00 0.00 C ATOM 918 O ASP A 58 -7.341 -8.667 -11.023 1.00 0.00 O ATOM 919 CB ASP A 58 -9.155 -7.153 -8.885 1.00 0.00 C ATOM 920 CG ASP A 58 -10.095 -8.078 -9.671 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.345 -9.220 -9.212 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.633 -7.654 -10.718 1.00 0.00 O ATOM 0 H ASP A 58 -7.348 -6.127 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.827 -8.780 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.535 -7.012 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.125 -6.170 -9.354 1.00 0.00 H new ATOM 927 N TYR A 59 -6.209 -6.792 -10.461 1.00 0.00 N ATOM 928 CA TYR A 59 -5.366 -6.661 -11.644 1.00 0.00 C ATOM 929 C TYR A 59 -3.904 -7.042 -11.363 1.00 0.00 C ATOM 930 O TYR A 59 -3.052 -6.932 -12.243 1.00 0.00 O ATOM 931 CB TYR A 59 -5.517 -5.227 -12.156 1.00 0.00 C ATOM 932 CG TYR A 59 -6.884 -4.973 -12.745 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.168 -5.477 -14.030 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.882 -4.291 -12.012 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.439 -5.299 -14.592 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.165 -4.140 -12.560 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.444 -4.630 -13.859 1.00 0.00 C ATOM 938 OH TYR A 59 -10.672 -4.441 -14.414 1.00 0.00 O ATOM 0 H TYR A 59 -6.047 -6.041 -9.790 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.687 -7.362 -12.415 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.341 -4.530 -11.337 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.756 -5.030 -12.911 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.403 -6.002 -14.583 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.658 -3.888 -11.035 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.650 -5.672 -15.583 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.941 -3.650 -11.990 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.071 -5.310 -14.629 1.00 0.00 H new ATOM 948 N ASN A 60 -3.618 -7.526 -10.148 1.00 0.00 N ATOM 949 CA ASN A 60 -2.301 -7.905 -9.631 1.00 0.00 C ATOM 950 C ASN A 60 -1.279 -6.759 -9.699 1.00 0.00 C ATOM 951 O ASN A 60 -0.068 -6.980 -9.712 1.00 0.00 O ATOM 952 CB ASN A 60 -1.828 -9.255 -10.216 1.00 0.00 C ATOM 953 CG ASN A 60 -2.124 -10.439 -9.297 1.00 0.00 C ATOM 954 OD1 ASN A 60 -1.256 -11.272 -9.053 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.332 -10.557 -8.762 1.00 0.00 N ATOM 0 H ASN A 60 -4.352 -7.672 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.400 -8.086 -8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.314 -9.418 -11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.755 -9.207 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.542 -11.342 -8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.051 -9.863 -8.967 1.00 0.00 H new ATOM 962 N ILE A 61 -1.775 -5.523 -9.713 1.00 0.00 N ATOM 963 CA ILE A 61 -0.993 -4.307 -9.542 1.00 0.00 C ATOM 964 C ILE A 61 -0.541 -4.354 -8.082 1.00 0.00 C ATOM 965 O ILE A 61 -1.315 -4.760 -7.211 1.00 0.00 O ATOM 966 CB ILE A 61 -1.910 -3.102 -9.816 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.435 -3.078 -11.261 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.237 -1.749 -9.502 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.731 -2.284 -11.378 1.00 0.00 C ATOM 0 H ILE A 61 -2.769 -5.338 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.139 -4.222 -10.214 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.751 -3.235 -9.136 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.680 -2.641 -11.915 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.602 -4.099 -11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.933 -0.938 -9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.956 -1.718 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.346 -1.634 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.070 -2.291 -12.414 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.494 -2.737 -10.744 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.558 -1.256 -11.060 1.00 0.00 H new ATOM 981 N GLN A 62 0.692 -3.949 -7.802 1.00 0.00 N ATOM 982 CA GLN A 62 1.271 -3.950 -6.465 1.00 0.00 C ATOM 983 C GLN A 62 1.837 -2.548 -6.217 1.00 0.00 C ATOM 984 O GLN A 62 1.463 -1.590 -6.894 1.00 0.00 O ATOM 985 CB GLN A 62 2.336 -5.061 -6.363 1.00 0.00 C ATOM 986 CG GLN A 62 1.779 -6.455 -6.664 1.00 0.00 C ATOM 987 CD GLN A 62 0.932 -7.045 -5.532 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.459 -7.687 -4.625 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.381 -6.855 -5.552 1.00 0.00 N ATOM 0 H GLN A 62 1.332 -3.602 -8.516 1.00 0.00 H new ATOM 0 HA GLN A 62 0.531 -4.168 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.148 -4.843 -7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.763 -5.056 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.174 -6.406 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.609 -7.130 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.808 -6.321 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.964 -7.243 -4.810 1.00 0.00 H new ATOM 998 N LYS A 63 2.682 -2.386 -5.201 1.00 0.00 N ATOM 999 CA LYS A 63 3.442 -1.170 -5.010 1.00 0.00 C ATOM 1000 C LYS A 63 4.355 -0.941 -6.205 1.00 0.00 C ATOM 1001 O LYS A 63 4.754 -1.868 -6.907 1.00 0.00 O ATOM 1002 CB LYS A 63 4.268 -1.244 -3.711 1.00 0.00 C ATOM 1003 CG LYS A 63 5.468 -2.197 -3.732 1.00 0.00 C ATOM 1004 CD LYS A 63 6.329 -1.947 -2.483 1.00 0.00 C ATOM 1005 CE LYS A 63 7.417 -3.000 -2.231 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.346 -3.204 -3.376 1.00 0.00 N ATOM 0 H LYS A 63 2.853 -3.099 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 63 2.749 -0.333 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.628 -0.243 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.605 -1.544 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.126 -3.232 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.059 -2.038 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.803 -0.970 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.676 -1.904 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.996 -2.705 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.939 -3.950 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.297 -3.424 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.007 -3.993 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.384 -2.338 -3.950 1.00 0.00 H new ATOM 1020 N GLU A 64 4.759 0.318 -6.290 1.00 0.00 N ATOM 1021 CA GLU A 64 5.669 0.878 -7.272 1.00 0.00 C ATOM 1022 C GLU A 64 5.295 0.383 -8.674 1.00 0.00 C ATOM 1023 O GLU A 64 6.130 -0.077 -9.455 1.00 0.00 O ATOM 1024 CB GLU A 64 7.145 0.786 -6.807 1.00 0.00 C ATOM 1025 CG GLU A 64 7.881 -0.547 -6.933 1.00 0.00 C ATOM 1026 CD GLU A 64 9.163 -0.560 -6.084 1.00 0.00 C ATOM 1027 OE1 GLU A 64 10.226 -0.099 -6.567 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.111 -1.044 -4.925 1.00 0.00 O ATOM 0 H GLU A 64 4.435 1.022 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 64 5.555 1.958 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.713 1.529 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.178 1.082 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.225 -1.358 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.132 -0.729 -7.978 1.00 0.00 H new ATOM 1035 N SER A 65 3.990 0.475 -8.960 1.00 0.00 N ATOM 1036 CA SER A 65 3.421 -0.018 -10.222 1.00 0.00 C ATOM 1037 C SER A 65 2.787 1.154 -10.951 1.00 0.00 C ATOM 1038 O SER A 65 2.264 2.065 -10.309 1.00 0.00 O ATOM 1039 CB SER A 65 2.384 -1.129 -9.992 1.00 0.00 C ATOM 1040 OG SER A 65 2.943 -2.321 -9.456 1.00 0.00 O ATOM 0 H SER A 65 3.304 0.889 -8.330 1.00 0.00 H new ATOM 0 HA SER A 65 4.220 -0.454 -10.821 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.613 -0.762 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.894 -1.360 -10.938 1.00 0.00 H new ATOM 0 HG SER A 65 3.490 -2.102 -8.673 1.00 0.00 H new ATOM 1046 N THR A 66 2.816 1.127 -12.276 1.00 0.00 N ATOM 1047 CA THR A 66 2.362 2.227 -13.107 1.00 0.00 C ATOM 1048 C THR A 66 0.949 1.941 -13.609 1.00 0.00 C ATOM 1049 O THR A 66 0.600 0.797 -13.873 1.00 0.00 O ATOM 1050 CB THR A 66 3.365 2.452 -14.265 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.685 2.472 -13.745 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.126 3.753 -15.050 1.00 0.00 C ATOM 0 H THR A 66 3.161 0.328 -12.809 1.00 0.00 H new ATOM 0 HA THR A 66 2.322 3.148 -12.526 1.00 0.00 H new ATOM 0 HB THR A 66 3.218 1.627 -14.962 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.322 2.613 -14.476 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.868 3.840 -15.844 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.127 3.736 -15.486 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.214 4.606 -14.377 1.00 0.00 H new ATOM 1060 N LEU A 67 0.155 2.999 -13.763 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.220 3.027 -14.254 1.00 0.00 C ATOM 1062 C LEU A 67 -1.372 4.080 -15.351 1.00 0.00 C ATOM 1063 O LEU A 67 -0.461 4.883 -15.534 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.106 3.422 -13.059 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.299 2.508 -12.855 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.823 1.144 -12.362 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.214 3.119 -11.804 1.00 0.00 C ATOM 0 H LEU A 67 0.485 3.935 -13.528 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.499 2.058 -14.667 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.500 3.421 -12.153 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.462 4.442 -13.204 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.832 2.389 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.682 0.490 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.153 0.704 -13.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.293 1.263 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.076 2.469 -11.650 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.669 3.228 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.554 4.098 -12.142 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.542 4.176 -15.993 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.780 5.172 -17.051 1.00 0.00 C ATOM 1081 C HIS A 68 -4.099 5.903 -16.838 1.00 0.00 C ATOM 1082 O HIS A 68 -5.118 5.264 -16.583 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.793 4.494 -18.435 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.458 4.386 -19.123 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.982 3.240 -19.769 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.579 5.412 -19.329 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.182 3.601 -20.335 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.457 4.889 -20.073 1.00 0.00 N ATOM 0 H HIS A 68 -3.343 3.575 -15.799 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.968 5.897 -17.006 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.206 3.491 -18.324 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.471 5.048 -19.084 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.426 2.322 -19.803 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.677 6.429 -18.979 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.810 2.945 -20.920 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.092 7.234 -16.979 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.314 8.052 -17.044 1.00 0.00 C ATOM 1098 C LEU A 69 -5.714 8.100 -18.502 1.00 0.00 C ATOM 1099 O LEU A 69 -4.949 8.592 -19.323 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.082 9.504 -16.517 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.810 10.708 -17.212 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.326 10.587 -17.032 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.390 12.047 -16.622 1.00 0.00 C ATOM 0 H LEU A 69 -3.233 7.780 -17.052 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.087 7.613 -16.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.363 9.517 -15.464 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.011 9.700 -16.563 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.532 10.671 -18.265 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.819 11.429 -17.519 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.672 9.655 -17.480 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.568 10.591 -15.969 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.919 12.852 -17.133 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.634 12.069 -15.560 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.316 12.180 -16.750 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.931 7.664 -18.793 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.600 7.823 -20.072 1.00 0.00 C ATOM 1117 C VAL A 70 -8.987 8.386 -19.725 1.00 0.00 C ATOM 1118 O VAL A 70 -9.412 8.341 -18.574 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.528 6.458 -20.788 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.337 6.418 -22.066 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -6.066 6.082 -21.105 1.00 0.00 C ATOM 0 H VAL A 70 -7.504 7.167 -18.111 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.161 8.520 -20.786 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.960 5.734 -20.097 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.247 5.433 -22.523 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.384 6.618 -21.840 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.964 7.174 -22.757 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.040 5.116 -21.610 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.627 6.841 -21.752 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.496 6.022 -20.178 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.700 8.969 -20.680 1.00 0.00 N ATOM 1132 CA LEU A 71 -10.992 9.601 -20.433 1.00 0.00 C ATOM 1133 C LEU A 71 -12.095 8.600 -20.768 1.00 0.00 C ATOM 1134 O LEU A 71 -11.917 7.757 -21.638 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.064 10.858 -21.319 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.297 11.740 -21.051 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -11.928 12.918 -20.170 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -12.910 12.248 -22.349 1.00 0.00 C ATOM 0 H LEU A 71 -9.398 9.018 -21.653 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.117 9.895 -19.391 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.164 11.452 -21.163 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.068 10.553 -22.366 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.035 11.122 -20.539 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.812 13.530 -19.992 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.541 12.554 -19.218 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.165 13.518 -20.666 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.778 12.867 -22.123 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.173 12.840 -22.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.218 11.401 -22.962 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.252 8.693 -20.120 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.453 7.910 -20.459 1.00 0.00 C ATOM 1152 C ARG A 72 -15.051 8.312 -21.803 1.00 0.00 C ATOM 1153 O ARG A 72 -15.660 7.482 -22.466 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.520 8.107 -19.364 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.535 6.950 -19.292 1.00 0.00 C ATOM 1156 CD ARG A 72 -17.288 7.029 -17.958 1.00 0.00 C ATOM 1157 NE ARG A 72 -18.407 6.072 -17.874 1.00 0.00 N ATOM 1158 CZ ARG A 72 -19.298 6.044 -16.870 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -19.211 6.948 -15.898 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -20.262 5.131 -16.843 1.00 0.00 N ATOM 0 H ARG A 72 -13.392 9.323 -19.330 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.148 6.866 -20.526 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.026 8.209 -18.398 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.054 9.039 -19.549 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.236 7.012 -20.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.021 5.993 -19.378 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.592 6.839 -17.141 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.670 8.041 -17.822 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.510 5.389 -18.625 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.473 7.652 -15.921 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.882 6.937 -15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.332 4.441 -17.591 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.933 5.120 -16.075 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.860 9.580 -22.186 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.558 10.228 -23.309 1.00 0.00 C ATOM 1176 C LEU A 73 -17.061 10.149 -22.973 1.00 0.00 C ATOM 1177 O LEU A 73 -17.874 9.842 -23.836 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.201 9.652 -24.709 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.749 9.625 -25.231 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.096 10.948 -25.598 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.792 8.767 -24.405 1.00 0.00 C ATOM 0 H LEU A 73 -14.202 10.200 -21.715 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.232 11.264 -23.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.562 8.624 -24.728 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.788 10.210 -25.439 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.922 9.135 -26.189 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.079 10.767 -25.947 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.671 11.431 -26.388 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.069 11.596 -24.722 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.796 8.807 -24.845 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.753 9.146 -23.384 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.144 7.735 -24.396 1.00 0.00 H new ATOM 1193 N ARG A 74 -17.429 10.345 -21.686 1.00 0.00 N ATOM 1194 CA ARG A 74 -18.825 10.161 -21.239 1.00 0.00 C ATOM 1195 C ARG A 74 -19.763 11.134 -21.954 1.00 0.00 C ATOM 1196 O ARG A 74 -20.943 10.828 -22.136 1.00 0.00 O ATOM 1197 CB ARG A 74 -18.927 10.301 -19.704 1.00 0.00 C ATOM 1198 CG ARG A 74 -20.350 10.213 -19.115 1.00 0.00 C ATOM 1199 CD ARG A 74 -21.111 8.926 -19.469 1.00 0.00 C ATOM 1200 NE ARG A 74 -22.508 8.983 -18.991 1.00 0.00 N ATOM 1201 CZ ARG A 74 -23.557 9.524 -19.628 1.00 0.00 C ATOM 1202 NH1 ARG A 74 -23.416 10.123 -20.812 1.00 0.00 N ATOM 1203 NH2 ARG A 74 -24.762 9.465 -19.067 1.00 0.00 N ATOM 0 H ARG A 74 -16.785 10.628 -20.947 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.140 9.152 -21.504 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.316 9.524 -19.246 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.493 11.259 -19.416 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.285 10.294 -18.030 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.927 11.069 -19.465 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.099 8.779 -20.549 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.606 8.068 -19.025 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.695 8.566 -18.079 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.497 10.176 -21.250 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -24.228 10.528 -21.279 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.881 9.012 -18.161 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.567 9.873 -19.543 1.00 0.00 H new ATOM 1217 N GLY A 75 -19.241 12.312 -22.309 1.00 0.00 N ATOM 1218 CA GLY A 75 -20.004 13.345 -23.011 1.00 0.00 C ATOM 1219 C GLY A 75 -21.159 13.897 -22.167 1.00 0.00 C ATOM 1220 O GLY A 75 -22.165 14.360 -22.710 1.00 0.00 O ATOM 0 H GLY A 75 -18.275 12.575 -22.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -19.336 14.162 -23.286 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -20.401 12.932 -23.938 1.00 0.00 H new ATOM 1224 N GLY A 76 -21.042 13.824 -20.838 1.00 0.00 N ATOM 1225 CA GLY A 76 -22.014 14.296 -19.864 1.00 0.00 C ATOM 1226 C GLY A 76 -21.419 14.125 -18.466 1.00 0.00 C ATOM 1227 O GLY A 76 -22.168 14.327 -17.485 1.00 0.00 O ATOM 1228 OXT GLY A 76 -20.216 13.786 -18.362 1.00 0.00 O ATOM 0 H GLY A 76 -20.221 13.411 -20.395 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.257 15.343 -20.047 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.943 13.733 -19.952 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLY B -3 -18.473 23.241 -42.947 1.00 0.00 N ATOM 1234 CA GLY B -3 -17.233 23.973 -42.586 1.00 0.00 C ATOM 1235 C GLY B -3 -15.969 23.313 -43.142 1.00 0.00 C ATOM 1236 O GLY B -3 -16.022 22.251 -43.767 1.00 0.00 O ATOM 0 H1 GLY B -3 -19.112 23.876 -43.466 1.00 0.00 H new ATOM 0 H2 GLY B -3 -18.233 22.426 -43.547 1.00 0.00 H new ATOM 0 H3 GLY B -3 -18.944 22.907 -42.082 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -17.298 24.995 -42.960 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -17.157 24.035 -41.500 1.00 0.00 H new ATOM 1242 N HIS B -2 -14.810 23.948 -42.920 1.00 0.00 N ATOM 1243 CA HIS B -2 -13.511 23.451 -43.389 1.00 0.00 C ATOM 1244 C HIS B -2 -13.136 22.121 -42.730 1.00 0.00 C ATOM 1245 O HIS B -2 -12.554 21.246 -43.375 1.00 0.00 O ATOM 1246 CB HIS B -2 -12.430 24.481 -43.066 1.00 0.00 C ATOM 1247 CG HIS B -2 -11.081 24.114 -43.637 1.00 0.00 C ATOM 1248 ND1 HIS B -2 -10.731 24.166 -44.994 1.00 0.00 N ATOM 1249 CD2 HIS B -2 -10.012 23.660 -42.919 1.00 0.00 C ATOM 1250 CE1 HIS B -2 -9.457 23.738 -45.057 1.00 0.00 C ATOM 1251 NE2 HIS B -2 -9.002 23.427 -43.828 1.00 0.00 N ATOM 0 H HIS B -2 -14.748 24.827 -42.406 1.00 0.00 H new ATOM 0 HA HIS B -2 -13.587 23.290 -44.464 1.00 0.00 H new ATOM 0 HB2 HIS B -2 -12.732 25.453 -43.457 1.00 0.00 H new ATOM 0 HB3 HIS B -2 -12.345 24.585 -41.984 1.00 0.00 H new ATOM 0 HD2 HIS B -2 -9.967 23.513 -41.850 1.00 0.00 H new ATOM 0 HE1 HIS B -2 -8.880 23.655 -45.966 1.00 0.00 H new ATOM 0 HE2 HIS B -2 -8.069 23.078 -43.607 1.00 0.00 H new ATOM 1259 N MET B -1 -13.482 21.971 -41.449 1.00 0.00 N ATOM 1260 CA MET B -1 -13.222 20.792 -40.639 1.00 0.00 C ATOM 1261 C MET B -1 -14.433 20.521 -39.743 1.00 0.00 C ATOM 1262 O MET B -1 -15.282 21.395 -39.532 1.00 0.00 O ATOM 1263 CB MET B -1 -11.913 20.942 -39.839 1.00 0.00 C ATOM 1264 CG MET B -1 -11.923 21.990 -38.709 1.00 0.00 C ATOM 1265 SD MET B -1 -11.953 23.738 -39.212 1.00 0.00 S ATOM 1266 CE MET B -1 -11.981 24.532 -37.586 1.00 0.00 C ATOM 0 H MET B -1 -13.971 22.702 -40.932 1.00 0.00 H new ATOM 0 HA MET B -1 -13.079 19.927 -41.286 1.00 0.00 H new ATOM 0 HB2 MET B -1 -11.663 19.973 -39.406 1.00 0.00 H new ATOM 0 HB3 MET B -1 -11.113 21.196 -40.535 1.00 0.00 H new ATOM 0 HG2 MET B -1 -12.793 21.803 -38.080 1.00 0.00 H new ATOM 0 HG3 MET B -1 -11.041 21.830 -38.089 1.00 0.00 H new ATOM 0 HE1 MET B -1 -12.001 25.615 -37.710 1.00 0.00 H new ATOM 0 HE2 MET B -1 -12.869 24.213 -37.040 1.00 0.00 H new ATOM 0 HE3 MET B -1 -11.090 24.247 -37.027 1.00 0.00 H new ATOM 1276 N ASP B 674 -14.496 19.300 -39.218 1.00 0.00 N ATOM 1277 CA ASP B 674 -15.634 18.772 -38.449 1.00 0.00 C ATOM 1278 C ASP B 674 -15.163 17.861 -37.299 1.00 0.00 C ATOM 1279 O ASP B 674 -15.966 17.261 -36.582 1.00 0.00 O ATOM 1280 CB ASP B 674 -16.546 18.000 -39.412 1.00 0.00 C ATOM 1281 CG ASP B 674 -17.878 17.578 -38.763 1.00 0.00 C ATOM 1282 OD1 ASP B 674 -18.615 18.463 -38.256 1.00 0.00 O ATOM 1283 OD2 ASP B 674 -18.234 16.376 -38.831 1.00 0.00 O ATOM 0 H ASP B 674 -13.737 18.626 -39.315 1.00 0.00 H new ATOM 0 HA ASP B 674 -16.179 19.599 -37.995 1.00 0.00 H new ATOM 0 HB2 ASP B 674 -16.752 18.619 -40.285 1.00 0.00 H new ATOM 0 HB3 ASP B 674 -16.023 17.112 -39.768 1.00 0.00 H new ATOM 1288 N GLU B 675 -13.846 17.758 -37.107 1.00 0.00 N ATOM 1289 CA GLU B 675 -13.206 16.995 -36.045 1.00 0.00 C ATOM 1290 C GLU B 675 -11.904 17.720 -35.698 1.00 0.00 C ATOM 1291 O GLU B 675 -11.256 18.299 -36.576 1.00 0.00 O ATOM 1292 CB GLU B 675 -12.984 15.528 -36.451 1.00 0.00 C ATOM 1293 CG GLU B 675 -12.096 15.316 -37.685 1.00 0.00 C ATOM 1294 CD GLU B 675 -12.029 13.831 -38.076 1.00 0.00 C ATOM 1295 OE1 GLU B 675 -11.194 13.086 -37.511 1.00 0.00 O ATOM 1296 OE2 GLU B 675 -12.797 13.382 -38.961 1.00 0.00 O ATOM 0 H GLU B 675 -13.173 18.225 -37.715 1.00 0.00 H new ATOM 0 HA GLU B 675 -13.845 16.944 -35.163 1.00 0.00 H new ATOM 0 HB2 GLU B 675 -12.539 14.998 -35.608 1.00 0.00 H new ATOM 0 HB3 GLU B 675 -13.955 15.069 -36.639 1.00 0.00 H new ATOM 0 HG2 GLU B 675 -12.486 15.897 -38.521 1.00 0.00 H new ATOM 0 HG3 GLU B 675 -11.091 15.686 -37.481 1.00 0.00 H new ATOM 1303 N LYS B 676 -11.561 17.734 -34.409 1.00 0.00 N ATOM 1304 CA LYS B 676 -10.491 18.549 -33.843 1.00 0.00 C ATOM 1305 C LYS B 676 -9.944 17.841 -32.598 1.00 0.00 C ATOM 1306 O LYS B 676 -10.062 18.360 -31.485 1.00 0.00 O ATOM 1307 CB LYS B 676 -11.040 19.947 -33.474 1.00 0.00 C ATOM 1308 CG LYS B 676 -11.685 20.744 -34.624 1.00 0.00 C ATOM 1309 CD LYS B 676 -12.100 22.157 -34.184 1.00 0.00 C ATOM 1310 CE LYS B 676 -13.080 22.109 -33.001 1.00 0.00 C ATOM 1311 NZ LYS B 676 -13.643 23.448 -32.677 1.00 0.00 N ATOM 0 H LYS B 676 -12.036 17.161 -33.711 1.00 0.00 H new ATOM 0 HA LYS B 676 -9.689 18.677 -34.570 1.00 0.00 H new ATOM 0 HB2 LYS B 676 -11.779 19.828 -32.682 1.00 0.00 H new ATOM 0 HB3 LYS B 676 -10.223 20.539 -33.061 1.00 0.00 H new ATOM 0 HG2 LYS B 676 -10.983 20.815 -35.455 1.00 0.00 H new ATOM 0 HG3 LYS B 676 -12.560 20.207 -34.991 1.00 0.00 H new ATOM 0 HD2 LYS B 676 -11.215 22.727 -33.902 1.00 0.00 H new ATOM 0 HD3 LYS B 676 -12.563 22.680 -35.021 1.00 0.00 H new ATOM 0 HE2 LYS B 676 -13.894 21.422 -33.234 1.00 0.00 H new ATOM 0 HE3 LYS B 676 -12.568 21.711 -32.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 -14.298 23.364 -31.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 -12.871 24.098 -32.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 -14.155 23.819 -33.503 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.410 16.625 -32.765 1.00 0.00 N ATOM 1326 CA ILE B 677 -8.724 15.956 -31.654 1.00 0.00 C ATOM 1327 C ILE B 677 -7.636 16.913 -31.180 1.00 0.00 C ATOM 1328 O ILE B 677 -6.882 17.455 -31.998 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.151 14.567 -32.035 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.257 13.492 -32.097 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.108 14.080 -31.002 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -10.313 13.673 -33.191 1.00 0.00 C ATOM 0 H ILE B 677 -9.438 16.095 -33.636 1.00 0.00 H new ATOM 0 HA ILE B 677 -9.434 15.740 -30.856 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.689 14.696 -33.014 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -8.783 12.520 -32.235 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -9.764 13.465 -31.132 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -6.728 13.103 -31.301 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.283 14.791 -30.954 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -7.577 14.002 -30.021 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -11.036 12.859 -33.137 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -10.826 14.624 -33.048 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -9.830 13.664 -34.168 1.00 0.00 H new ATOM 1344 N THR B 678 -7.537 17.098 -29.867 1.00 0.00 N ATOM 1345 CA THR B 678 -6.560 17.961 -29.253 1.00 0.00 C ATOM 1346 C THR B 678 -5.861 17.231 -28.101 1.00 0.00 C ATOM 1347 O THR B 678 -6.377 16.280 -27.502 1.00 0.00 O ATOM 1348 CB THR B 678 -7.254 19.287 -28.914 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.283 20.270 -28.583 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.300 19.199 -27.797 1.00 0.00 C ATOM 0 H THR B 678 -8.151 16.638 -29.195 1.00 0.00 H new ATOM 0 HA THR B 678 -5.737 18.219 -29.920 1.00 0.00 H new ATOM 0 HB THR B 678 -7.804 19.566 -29.813 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.732 21.114 -28.369 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.736 20.184 -27.628 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.084 18.500 -28.087 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.825 18.851 -26.880 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.644 17.698 -27.832 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.687 17.109 -26.910 1.00 0.00 C ATOM 1360 C PHE B 679 -3.270 18.213 -25.914 1.00 0.00 C ATOM 1361 O PHE B 679 -2.291 18.923 -26.160 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.517 16.488 -27.679 1.00 0.00 C ATOM 1363 CG PHE B 679 -2.836 15.140 -28.327 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.850 13.956 -27.557 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.103 15.068 -29.707 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.118 12.713 -28.158 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.356 13.824 -30.311 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.355 12.646 -29.544 1.00 0.00 C ATOM 0 H PHE B 679 -4.284 18.542 -28.277 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.120 16.285 -26.343 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.196 17.184 -28.454 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.676 16.361 -26.997 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.653 14.006 -26.496 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.114 15.969 -30.302 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.142 11.815 -27.559 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.553 13.773 -31.372 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.536 11.692 -30.017 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.075 18.443 -24.857 1.00 0.00 N ATOM 1379 CA PRO B 680 -3.884 19.498 -23.856 1.00 0.00 C ATOM 1380 C PRO B 680 -2.741 19.164 -22.884 1.00 0.00 C ATOM 1381 O PRO B 680 -2.160 18.080 -22.929 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.223 19.534 -23.096 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.594 18.055 -23.087 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.256 17.664 -24.519 1.00 0.00 C ATOM 0 HA PRO B 680 -3.617 20.449 -24.318 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.115 19.938 -22.089 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -5.970 20.143 -23.605 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.015 17.489 -22.357 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.646 17.895 -22.853 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.059 16.595 -24.600 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.082 17.888 -25.194 1.00 0.00 H new ATOM 1392 N SER B 681 -2.534 20.020 -21.886 1.00 0.00 N ATOM 1393 CA SER B 681 -1.629 19.829 -20.751 1.00 0.00 C ATOM 1394 C SER B 681 -2.009 18.652 -19.821 1.00 0.00 C ATOM 1395 O SER B 681 -1.522 18.590 -18.690 1.00 0.00 O ATOM 1396 CB SER B 681 -1.566 21.148 -19.960 1.00 0.00 C ATOM 1397 OG SER B 681 -1.416 22.263 -20.834 1.00 0.00 O ATOM 0 H SER B 681 -3.020 20.916 -21.844 1.00 0.00 H new ATOM 0 HA SER B 681 -0.653 19.560 -21.154 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.474 21.265 -19.369 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.732 21.116 -19.259 1.00 0.00 H new ATOM 0 HG SER B 681 -1.380 23.089 -20.308 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.855 17.718 -20.273 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.183 16.484 -19.566 1.00 0.00 C ATOM 1405 C ASP B 682 -3.123 15.249 -20.468 1.00 0.00 C ATOM 1406 O ASP B 682 -3.067 14.135 -19.944 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.568 16.539 -18.914 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.633 17.552 -17.763 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -4.205 17.215 -16.636 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.135 18.679 -17.987 1.00 0.00 O ATOM 0 H ASP B 682 -3.341 17.807 -21.165 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.420 16.395 -18.793 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.311 16.801 -19.667 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -4.830 15.550 -18.539 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.126 15.394 -21.802 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.072 14.284 -22.739 1.00 0.00 C ATOM 1417 C ILE B 683 -2.158 14.692 -23.904 1.00 0.00 C ATOM 1418 O ILE B 683 -2.389 15.732 -24.509 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.500 13.891 -23.180 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.268 13.199 -22.028 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.447 12.942 -24.397 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -5.952 14.057 -20.978 1.00 0.00 C ATOM 0 H ILE B 683 -3.167 16.305 -22.258 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.650 13.391 -22.279 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.024 14.807 -23.454 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -6.028 12.560 -22.477 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -4.566 12.544 -21.511 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.461 12.675 -24.695 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -3.945 13.441 -25.226 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.897 12.039 -24.131 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.442 13.415 -20.246 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.210 14.678 -20.476 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.695 14.694 -21.457 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.148 13.885 -24.244 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.099 14.159 -25.237 1.00 0.00 C ATOM 1436 C ASP B 684 0.079 12.922 -26.129 1.00 0.00 C ATOM 1437 O ASP B 684 -0.107 11.804 -25.632 1.00 0.00 O ATOM 1438 CB ASP B 684 1.217 14.443 -24.507 1.00 0.00 C ATOM 1439 CG ASP B 684 2.400 14.622 -25.461 1.00 0.00 C ATOM 1440 OD1 ASP B 684 3.050 13.602 -25.789 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.692 15.777 -25.846 1.00 0.00 O ATOM 0 H ASP B 684 -1.032 12.969 -23.810 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.378 15.019 -25.846 1.00 0.00 H new ATOM 0 HB2 ASP B 684 1.105 15.343 -23.903 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.431 13.623 -23.821 1.00 0.00 H new ATOM 1446 N PRO B 685 0.415 13.062 -27.428 1.00 0.00 N ATOM 1447 CA PRO B 685 0.540 11.924 -28.323 1.00 0.00 C ATOM 1448 C PRO B 685 1.477 10.823 -27.824 1.00 0.00 C ATOM 1449 O PRO B 685 1.220 9.664 -28.131 1.00 0.00 O ATOM 1450 CB PRO B 685 1.022 12.483 -29.664 1.00 0.00 C ATOM 1451 CG PRO B 685 0.529 13.922 -29.649 1.00 0.00 C ATOM 1452 CD PRO B 685 0.636 14.295 -28.174 1.00 0.00 C ATOM 0 HA PRO B 685 -0.429 11.431 -28.399 1.00 0.00 H new ATOM 0 HB2 PRO B 685 2.107 12.432 -29.753 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.607 11.925 -30.503 1.00 0.00 H new ATOM 0 HG2 PRO B 685 1.144 14.568 -30.276 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.495 14.004 -30.015 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.616 14.717 -27.949 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.104 15.049 -27.908 1.00 0.00 H new ATOM 1460 N GLN B 686 2.546 11.121 -27.072 1.00 0.00 N ATOM 1461 CA GLN B 686 3.528 10.096 -26.744 1.00 0.00 C ATOM 1462 C GLN B 686 2.909 8.985 -25.889 1.00 0.00 C ATOM 1463 O GLN B 686 3.018 7.825 -26.286 1.00 0.00 O ATOM 1464 CB GLN B 686 4.858 10.689 -26.228 1.00 0.00 C ATOM 1465 CG GLN B 686 5.377 10.220 -24.854 1.00 0.00 C ATOM 1466 CD GLN B 686 4.770 10.893 -23.617 1.00 0.00 C ATOM 1467 OE1 GLN B 686 5.010 10.445 -22.499 1.00 0.00 O ATOM 1468 NE2 GLN B 686 3.975 11.944 -23.746 1.00 0.00 N ATOM 0 H GLN B 686 2.745 12.045 -26.690 1.00 0.00 H new ATOM 0 HA GLN B 686 3.828 9.596 -27.665 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.629 10.472 -26.967 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.748 11.773 -26.191 1.00 0.00 H new ATOM 0 HG2 GLN B 686 5.205 9.147 -24.775 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.456 10.373 -24.829 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.773 12.320 -24.672 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.565 12.378 -22.919 1.00 0.00 H new ATOM 1477 N VAL B 687 2.199 9.278 -24.782 1.00 0.00 N ATOM 1478 CA VAL B 687 1.567 8.219 -24.018 1.00 0.00 C ATOM 1479 C VAL B 687 0.544 7.511 -24.896 1.00 0.00 C ATOM 1480 O VAL B 687 0.396 6.302 -24.781 1.00 0.00 O ATOM 1481 CB VAL B 687 0.912 8.790 -22.759 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.553 7.665 -21.783 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.848 9.768 -22.044 1.00 0.00 C ATOM 0 H VAL B 687 2.059 10.219 -24.415 1.00 0.00 H new ATOM 0 HA VAL B 687 2.319 7.497 -23.701 1.00 0.00 H new ATOM 0 HB VAL B 687 0.010 9.315 -23.074 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.088 8.090 -20.893 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.143 6.976 -22.262 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.458 7.128 -21.498 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.355 10.158 -21.153 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.763 9.251 -21.756 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.093 10.593 -22.713 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.125 8.232 -25.800 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.103 7.631 -26.683 1.00 0.00 C ATOM 1495 C PHE B 688 -0.458 6.603 -27.621 1.00 0.00 C ATOM 1496 O PHE B 688 -1.027 5.541 -27.870 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.834 8.743 -27.448 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.180 8.331 -27.994 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.158 7.846 -27.110 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.476 8.464 -29.363 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.433 7.497 -27.578 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.747 8.091 -29.840 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.713 7.590 -28.950 1.00 0.00 C ATOM 0 H PHE B 688 0.000 9.236 -25.932 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.834 7.078 -26.093 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -1.969 9.598 -26.785 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.205 9.076 -28.274 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -3.926 7.741 -26.060 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.732 8.850 -30.044 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.193 7.160 -26.889 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -4.980 8.190 -30.890 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.676 7.275 -29.324 1.00 0.00 H new ATOM 1513 N TYR B 689 0.747 6.889 -28.114 1.00 0.00 N ATOM 1514 CA TYR B 689 1.540 5.990 -28.944 1.00 0.00 C ATOM 1515 C TYR B 689 2.146 4.838 -28.145 1.00 0.00 C ATOM 1516 O TYR B 689 2.531 3.824 -28.729 1.00 0.00 O ATOM 1517 CB TYR B 689 2.663 6.784 -29.622 1.00 0.00 C ATOM 1518 CG TYR B 689 2.237 7.921 -30.542 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.958 7.954 -31.135 1.00 0.00 C ATOM 1520 CD2 TYR B 689 3.160 8.943 -30.825 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.609 8.983 -32.024 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.821 9.985 -31.711 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.544 10.001 -32.325 1.00 0.00 C ATOM 1524 OH TYR B 689 1.204 10.993 -33.202 1.00 0.00 O ATOM 0 H TYR B 689 1.210 7.781 -27.940 1.00 0.00 H new ATOM 0 HA TYR B 689 0.871 5.556 -29.687 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.305 7.198 -28.844 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.271 6.088 -30.200 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.241 7.181 -30.903 1.00 0.00 H new ATOM 0 HD2 TYR B 689 4.135 8.929 -30.360 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.371 8.997 -32.477 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.533 10.770 -31.922 1.00 0.00 H new ATOM 0 HH TYR B 689 1.955 11.615 -33.300 1.00 0.00 H new ATOM 1534 N GLU B 690 2.239 4.994 -26.828 1.00 0.00 N ATOM 1535 CA GLU B 690 2.984 4.090 -25.967 1.00 0.00 C ATOM 1536 C GLU B 690 2.065 3.107 -25.244 1.00 0.00 C ATOM 1537 O GLU B 690 2.462 1.960 -25.006 1.00 0.00 O ATOM 1538 CB GLU B 690 3.782 4.981 -24.992 1.00 0.00 C ATOM 1539 CG GLU B 690 4.047 4.381 -23.614 1.00 0.00 C ATOM 1540 CD GLU B 690 4.768 5.382 -22.704 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.080 6.224 -22.076 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.016 5.344 -22.592 1.00 0.00 O ATOM 0 H GLU B 690 1.793 5.761 -26.326 1.00 0.00 H new ATOM 0 HA GLU B 690 3.659 3.461 -26.547 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.740 5.225 -25.452 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.243 5.919 -24.862 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.104 4.083 -23.156 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.650 3.479 -23.717 1.00 0.00 H new ATOM 1549 N LEU B 691 0.849 3.538 -24.891 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.169 2.656 -24.347 1.00 0.00 C ATOM 1551 C LEU B 691 -0.546 1.587 -25.381 1.00 0.00 C ATOM 1552 O LEU B 691 -0.178 1.680 -26.557 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.354 3.466 -23.781 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.215 4.320 -24.735 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -2.983 3.515 -25.770 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.225 5.115 -23.897 1.00 0.00 C ATOM 0 H LEU B 691 0.551 4.510 -24.978 1.00 0.00 H new ATOM 0 HA LEU B 691 0.224 2.109 -23.490 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -2.020 2.764 -23.280 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.958 4.132 -23.014 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.527 4.962 -25.284 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.562 4.190 -26.400 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.282 2.954 -26.388 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.657 2.822 -25.266 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.843 5.725 -24.555 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.859 4.425 -23.340 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.691 5.760 -23.199 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.288 0.575 -24.920 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.708 -0.560 -25.728 1.00 0.00 C ATOM 1570 C ALA B 692 -2.339 -0.077 -27.027 1.00 0.00 C ATOM 1571 O ALA B 692 -3.295 0.696 -26.988 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.702 -1.406 -24.925 1.00 0.00 C ATOM 0 H ALA B 692 -1.617 0.527 -23.956 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.841 -1.170 -25.981 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -3.021 -2.259 -25.524 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.223 -1.762 -24.013 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.570 -0.799 -24.666 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.846 -0.542 -28.177 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.316 -0.067 -29.475 1.00 0.00 C ATOM 1580 C GLU B 693 -3.817 -0.244 -29.599 1.00 0.00 C ATOM 1581 O GLU B 693 -4.503 0.649 -30.083 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.645 -0.852 -30.601 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.234 -0.303 -30.861 1.00 0.00 C ATOM 1584 CD GLU B 693 0.525 -1.156 -31.897 1.00 0.00 C ATOM 1585 OE1 GLU B 693 0.402 -0.890 -33.115 1.00 0.00 O ATOM 1586 OE2 GLU B 693 1.257 -2.096 -31.498 1.00 0.00 O ATOM 0 H GLU B 693 -1.116 -1.252 -28.233 1.00 0.00 H new ATOM 0 HA GLU B 693 -2.063 0.990 -29.553 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.589 -1.908 -30.335 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.243 -0.783 -31.509 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.303 0.725 -31.216 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.326 -0.281 -29.926 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.343 -1.369 -29.113 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.759 -1.633 -29.245 1.00 0.00 C ATOM 1595 C ALA B 694 -6.583 -0.570 -28.495 1.00 0.00 C ATOM 1596 O ALA B 694 -7.618 -0.127 -28.989 1.00 0.00 O ATOM 1597 CB ALA B 694 -6.044 -3.042 -28.730 1.00 0.00 C ATOM 0 H ALA B 694 -3.812 -2.096 -28.633 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.053 -1.576 -30.293 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.109 -3.255 -28.823 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.476 -3.765 -29.316 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.750 -3.113 -27.683 1.00 0.00 H new ATOM 1603 N VAL B 695 -6.089 -0.113 -27.335 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.686 0.996 -26.585 1.00 0.00 C ATOM 1605 C VAL B 695 -6.549 2.283 -27.391 1.00 0.00 C ATOM 1606 O VAL B 695 -7.518 3.029 -27.465 1.00 0.00 O ATOM 1607 CB VAL B 695 -6.052 1.094 -25.178 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.167 2.469 -24.502 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.692 0.066 -24.241 1.00 0.00 C ATOM 0 H VAL B 695 -5.259 -0.506 -26.890 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.751 0.819 -26.432 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.991 0.906 -25.345 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.692 2.433 -23.521 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.672 3.220 -25.118 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.219 2.731 -24.387 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.239 0.143 -23.253 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.762 0.259 -24.166 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.531 -0.937 -24.637 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.398 2.567 -28.012 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.225 3.762 -28.827 1.00 0.00 C ATOM 1621 C GLN B 696 -6.249 3.774 -29.959 1.00 0.00 C ATOM 1622 O GLN B 696 -6.901 4.790 -30.157 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.790 3.805 -29.367 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.465 5.015 -30.238 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.251 4.721 -31.105 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.324 4.699 -32.332 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -1.117 4.432 -30.481 1.00 0.00 N ATOM 0 H GLN B 696 -4.569 1.975 -27.961 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.391 4.652 -28.221 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.100 3.787 -28.524 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.609 2.900 -29.946 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.320 5.261 -30.867 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.271 5.884 -29.610 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.075 4.455 -29.462 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.287 4.186 -31.020 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.424 2.672 -30.691 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.381 2.617 -31.801 1.00 0.00 C ATOM 1638 C LYS B 697 -8.802 2.814 -31.295 1.00 0.00 C ATOM 1639 O LYS B 697 -9.550 3.607 -31.862 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.253 1.277 -32.548 1.00 0.00 C ATOM 1641 CG LYS B 697 -5.875 1.027 -33.178 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.398 2.099 -34.177 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.329 2.334 -35.386 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.379 1.170 -36.315 1.00 0.00 N ATOM 0 H LYS B 697 -5.914 1.802 -30.535 1.00 0.00 H new ATOM 0 HA LYS B 697 -7.153 3.426 -32.496 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.473 0.466 -31.854 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -8.009 1.239 -33.332 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -5.138 0.947 -32.379 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -5.897 0.064 -33.688 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.278 3.042 -33.643 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.413 1.814 -34.547 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.335 2.549 -35.027 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -5.991 3.214 -35.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -7.019 1.385 -37.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.425 0.978 -36.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -6.728 0.334 -35.805 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.161 2.116 -30.215 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.495 2.210 -29.624 1.00 0.00 C ATOM 1660 C GLU B 698 -10.766 3.652 -29.165 1.00 0.00 C ATOM 1661 O GLU B 698 -11.835 4.204 -29.433 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.602 1.216 -28.453 1.00 0.00 C ATOM 1663 CG GLU B 698 -12.016 1.083 -27.872 1.00 0.00 C ATOM 1664 CD GLU B 698 -12.959 0.319 -28.823 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -13.602 0.956 -29.693 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -13.075 -0.925 -28.695 1.00 0.00 O ATOM 0 H GLU B 698 -8.537 1.473 -29.728 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.250 1.952 -30.366 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -10.266 0.236 -28.791 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -9.923 1.530 -27.660 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -11.968 0.564 -26.915 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -12.423 2.075 -27.677 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.785 4.281 -28.510 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.874 5.654 -28.035 1.00 0.00 C ATOM 1675 C LEU B 699 -9.989 6.596 -29.198 1.00 0.00 C ATOM 1676 O LEU B 699 -10.859 7.445 -29.184 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.628 6.052 -27.236 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.709 5.631 -25.773 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.309 5.607 -25.154 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.605 6.602 -24.982 1.00 0.00 C ATOM 0 H LEU B 699 -8.893 3.837 -28.294 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.754 5.716 -27.395 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.748 5.598 -27.692 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.495 7.132 -27.292 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.142 4.632 -25.726 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.378 5.305 -24.109 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.684 4.898 -25.696 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.867 6.601 -25.216 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.652 6.287 -23.940 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.190 7.608 -25.038 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.609 6.599 -25.407 1.00 0.00 H new ATOM 1692 N LEU B 700 -9.131 6.466 -30.199 1.00 0.00 N ATOM 1693 CA LEU B 700 -9.108 7.354 -31.343 1.00 0.00 C ATOM 1694 C LEU B 700 -10.459 7.346 -32.042 1.00 0.00 C ATOM 1695 O LEU B 700 -10.974 8.405 -32.386 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.977 6.897 -32.264 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.822 7.732 -33.542 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.585 9.211 -33.221 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.641 7.170 -34.334 1.00 0.00 C ATOM 0 H LEU B 700 -8.425 5.731 -30.236 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.924 8.384 -31.037 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -7.039 6.927 -31.709 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -8.150 5.857 -32.543 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.741 7.672 -34.125 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.480 9.772 -34.149 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.431 9.601 -32.655 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.675 9.314 -32.630 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.509 7.747 -35.249 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.735 7.234 -33.731 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.836 6.128 -34.587 1.00 0.00 H new ATOM 1711 N ALA B 701 -11.062 6.165 -32.192 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.411 6.051 -32.715 1.00 0.00 C ATOM 1713 C ALA B 701 -13.393 6.814 -31.824 1.00 0.00 C ATOM 1714 O ALA B 701 -14.200 7.573 -32.351 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.792 4.576 -32.858 1.00 0.00 C ATOM 0 H ALA B 701 -10.628 5.273 -31.955 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.456 6.502 -33.706 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.806 4.499 -33.251 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -12.099 4.086 -33.542 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.743 4.091 -31.883 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.288 6.687 -30.493 1.00 0.00 N ATOM 1722 CA GLU B 702 -14.079 7.434 -29.514 1.00 0.00 C ATOM 1723 C GLU B 702 -13.924 8.948 -29.763 1.00 0.00 C ATOM 1724 O GLU B 702 -14.890 9.662 -30.022 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.629 7.064 -28.081 1.00 0.00 C ATOM 1726 CG GLU B 702 -14.741 7.002 -27.033 1.00 0.00 C ATOM 1727 CD GLU B 702 -15.572 5.716 -27.088 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.565 5.684 -27.853 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -15.260 4.783 -26.309 1.00 0.00 O ATOM 0 H GLU B 702 -12.629 6.041 -30.059 1.00 0.00 H new ATOM 0 HA GLU B 702 -15.131 7.172 -29.622 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.132 6.094 -28.115 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.886 7.792 -27.754 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.298 7.095 -26.041 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.403 7.857 -27.168 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.689 9.439 -29.751 1.00 0.00 N ATOM 1737 CA TRP B 703 -12.321 10.836 -29.853 1.00 0.00 C ATOM 1738 C TRP B 703 -12.858 11.431 -31.165 1.00 0.00 C ATOM 1739 O TRP B 703 -13.369 12.551 -31.187 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.782 10.899 -29.733 1.00 0.00 C ATOM 1741 CG TRP B 703 -10.104 10.294 -28.518 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.677 9.725 -27.432 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.688 10.316 -28.179 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.748 9.432 -26.460 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.507 9.831 -26.854 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.548 10.803 -28.824 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.314 9.938 -26.148 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.327 10.936 -28.130 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.225 10.554 -26.776 1.00 0.00 C ATOM 0 H TRP B 703 -11.874 8.831 -29.664 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.763 11.440 -29.060 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.365 10.414 -30.616 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.493 11.949 -29.780 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.734 9.525 -27.339 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -9.959 8.980 -25.570 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.602 11.081 -29.866 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.230 9.556 -25.141 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.462 11.334 -28.640 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.313 10.736 -26.227 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.833 10.651 -32.249 1.00 0.00 N ATOM 1761 CA LYS B 704 -13.333 11.056 -33.560 1.00 0.00 C ATOM 1762 C LYS B 704 -14.852 11.004 -33.655 1.00 0.00 C ATOM 1763 O LYS B 704 -15.417 11.768 -34.436 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.737 10.160 -34.658 1.00 0.00 C ATOM 1765 CG LYS B 704 -11.239 10.402 -34.899 1.00 0.00 C ATOM 1766 CD LYS B 704 -10.628 9.313 -35.793 1.00 0.00 C ATOM 1767 CE LYS B 704 -11.138 9.314 -37.246 1.00 0.00 C ATOM 1768 NZ LYS B 704 -10.619 10.451 -38.052 1.00 0.00 N ATOM 0 H LYS B 704 -12.457 9.703 -32.237 1.00 0.00 H new ATOM 0 HA LYS B 704 -13.023 12.092 -33.700 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.889 9.115 -34.386 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -13.279 10.330 -35.588 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -11.098 11.377 -35.364 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -10.715 10.426 -33.943 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -9.545 9.435 -35.802 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -10.836 8.339 -35.350 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -10.851 8.378 -37.725 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -12.227 9.349 -37.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -10.813 10.280 -39.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -11.087 11.330 -37.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -9.593 10.539 -37.907 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.534 10.131 -32.903 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.997 10.045 -33.009 1.00 0.00 C ATOM 1784 C ARG B 705 -17.644 11.222 -32.298 1.00 0.00 C ATOM 1785 O ARG B 705 -18.686 11.695 -32.750 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.594 8.668 -32.661 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.314 8.053 -31.288 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.916 8.756 -30.073 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.087 7.811 -28.955 1.00 0.00 N ATOM 1790 CZ ARG B 705 -19.077 7.759 -28.057 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -20.062 8.655 -28.049 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -19.045 6.778 -27.166 1.00 0.00 N ATOM 0 H ARG B 705 -15.111 9.490 -32.232 1.00 0.00 H new ATOM 0 HA ARG B 705 -17.249 10.129 -34.066 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -18.676 8.743 -32.771 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -17.245 7.961 -33.413 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -17.677 7.025 -31.298 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -16.233 8.008 -31.152 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -17.270 9.578 -29.765 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -18.880 9.191 -30.339 1.00 0.00 H new ATOM 0 HE ARG B 705 -17.357 7.106 -28.853 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -20.074 9.406 -28.740 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -20.804 8.591 -27.352 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -18.284 6.099 -27.183 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -19.781 6.703 -26.464 1.00 0.00 H new ATOM 1806 N THR B 706 -17.022 11.724 -31.226 1.00 0.00 N ATOM 1807 CA THR B 706 -17.458 12.989 -30.644 1.00 0.00 C ATOM 1808 C THR B 706 -17.071 14.114 -31.628 1.00 0.00 C ATOM 1809 O THR B 706 -17.848 15.043 -31.860 1.00 0.00 O ATOM 1810 CB THR B 706 -16.961 13.182 -29.194 1.00 0.00 C ATOM 1811 OG1 THR B 706 -16.396 14.461 -29.014 1.00 0.00 O ATOM 1812 CG2 THR B 706 -15.939 12.160 -28.686 1.00 0.00 C ATOM 0 H THR B 706 -16.232 11.282 -30.755 1.00 0.00 H new ATOM 0 HA THR B 706 -18.541 13.006 -30.523 1.00 0.00 H new ATOM 0 HB THR B 706 -17.870 13.042 -28.610 1.00 0.00 H new ATOM 0 HG1 THR B 706 -16.992 15.007 -28.459 1.00 0.00 H new ATOM 0 HG21 THR B 706 -15.666 12.399 -27.658 1.00 0.00 H new ATOM 0 HG22 THR B 706 -16.374 11.161 -28.723 1.00 0.00 H new ATOM 0 HG23 THR B 706 -15.049 12.192 -29.315 1.00 0.00 H new ATOM 1820 N GLY B 707 -15.885 14.000 -32.239 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.365 14.914 -33.246 1.00 0.00 C ATOM 1822 C GLY B 707 -14.377 15.871 -32.599 1.00 0.00 C ATOM 1823 O GLY B 707 -13.227 15.951 -33.025 1.00 0.00 O ATOM 0 H GLY B 707 -15.241 13.236 -32.032 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -14.876 14.354 -34.043 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.182 15.472 -33.703 1.00 0.00 H new ATOM 1827 N SER B 708 -14.784 16.526 -31.515 1.00 0.00 N ATOM 1828 CA SER B 708 -13.938 17.441 -30.751 1.00 0.00 C ATOM 1829 C SER B 708 -13.485 16.795 -29.429 1.00 0.00 C ATOM 1830 O SER B 708 -13.096 17.508 -28.504 1.00 0.00 O ATOM 1831 CB SER B 708 -14.697 18.759 -30.548 1.00 0.00 C ATOM 1832 OG SER B 708 -15.102 19.291 -31.806 1.00 0.00 O ATOM 0 H SER B 708 -15.726 16.435 -31.136 1.00 0.00 H new ATOM 0 HA SER B 708 -13.023 17.660 -31.301 1.00 0.00 H new ATOM 0 HB2 SER B 708 -15.570 18.591 -29.918 1.00 0.00 H new ATOM 0 HB3 SER B 708 -14.062 19.477 -30.029 1.00 0.00 H new ATOM 0 HG SER B 708 -15.587 20.131 -31.665 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.546 15.454 -29.348 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.172 14.613 -28.204 1.00 0.00 C ATOM 1840 C ASP B 709 -13.799 15.017 -26.854 1.00 0.00 C ATOM 1841 O ASP B 709 -13.366 14.576 -25.786 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.648 14.435 -28.137 1.00 0.00 C ATOM 1843 CG ASP B 709 -10.815 15.655 -27.649 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.032 16.210 -26.541 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -9.862 16.015 -28.390 1.00 0.00 O ATOM 0 H ASP B 709 -13.880 14.895 -30.133 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.621 13.638 -28.394 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.434 13.593 -27.478 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.295 14.160 -29.131 1.00 0.00 H new ATOM 1850 N PHE B 710 -14.903 15.765 -26.902 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.580 16.464 -25.824 1.00 0.00 C ATOM 1852 C PHE B 710 -14.658 17.460 -25.109 1.00 0.00 C ATOM 1853 O PHE B 710 -14.876 18.668 -25.239 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.251 15.479 -24.861 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.328 14.599 -25.462 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.517 15.175 -25.946 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.169 13.201 -25.494 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.549 14.355 -26.440 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.203 12.381 -25.981 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.397 12.957 -26.450 1.00 0.00 C ATOM 0 H PHE B 710 -15.388 15.906 -27.788 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.374 17.063 -26.269 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.481 14.837 -24.433 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -16.688 16.045 -24.038 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.638 16.248 -25.938 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.250 12.756 -25.143 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.460 14.801 -26.812 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.080 11.308 -25.995 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.195 12.328 -26.817 1.00 0.00 H new ATOM 1870 N HIS B 711 -13.657 16.981 -24.361 1.00 0.00 N ATOM 1871 CA HIS B 711 -12.826 17.764 -23.447 1.00 0.00 C ATOM 1872 C HIS B 711 -11.803 16.840 -22.782 1.00 0.00 C ATOM 1873 O HIS B 711 -11.830 16.660 -21.569 1.00 0.00 O ATOM 1874 CB HIS B 711 -13.685 18.536 -22.408 1.00 0.00 C ATOM 1875 CG HIS B 711 -14.877 17.793 -21.829 1.00 0.00 C ATOM 1876 ND1 HIS B 711 -16.147 18.358 -21.653 1.00 0.00 N ATOM 1877 CD2 HIS B 711 -14.909 16.501 -21.385 1.00 0.00 C ATOM 1878 CE1 HIS B 711 -16.904 17.391 -21.110 1.00 0.00 C ATOM 1879 NE2 HIS B 711 -16.186 16.269 -20.936 1.00 0.00 N ATOM 0 H HIS B 711 -13.395 15.995 -24.379 1.00 0.00 H new ATOM 0 HA HIS B 711 -12.290 18.525 -24.014 1.00 0.00 H new ATOM 0 HB2 HIS B 711 -13.037 18.836 -21.585 1.00 0.00 H new ATOM 0 HB3 HIS B 711 -14.048 19.450 -22.877 1.00 0.00 H new ATOM 0 HD2 HIS B 711 -14.089 15.798 -21.387 1.00 0.00 H new ATOM 0 HE1 HIS B 711 -17.946 17.500 -20.849 1.00 0.00 H new ATOM 0 HE2 HIS B 711 -16.530 15.395 -20.539 1.00 0.00 H new ATOM 1887 N ILE B 712 -10.935 16.185 -23.557 1.00 0.00 N ATOM 1888 CA ILE B 712 -10.065 15.121 -23.053 1.00 0.00 C ATOM 1889 C ILE B 712 -9.256 15.453 -21.794 1.00 0.00 C ATOM 1890 O ILE B 712 -9.144 14.599 -20.923 1.00 0.00 O ATOM 1891 CB ILE B 712 -9.254 14.525 -24.228 1.00 0.00 C ATOM 1892 CG1 ILE B 712 -10.119 13.426 -24.864 1.00 0.00 C ATOM 1893 CG2 ILE B 712 -7.908 13.915 -23.834 1.00 0.00 C ATOM 1894 CD1 ILE B 712 -9.448 12.701 -26.017 1.00 0.00 C ATOM 0 H ILE B 712 -10.816 16.378 -24.552 1.00 0.00 H new ATOM 0 HA ILE B 712 -10.709 14.336 -22.656 1.00 0.00 H new ATOM 0 HB ILE B 712 -9.021 15.345 -24.907 1.00 0.00 H new ATOM 0 HG12 ILE B 712 -10.386 12.699 -24.097 1.00 0.00 H new ATOM 0 HG13 ILE B 712 -11.049 13.870 -25.219 1.00 0.00 H new ATOM 0 HG21 ILE B 712 -7.412 13.523 -24.722 1.00 0.00 H new ATOM 0 HG22 ILE B 712 -7.281 14.681 -23.377 1.00 0.00 H new ATOM 0 HG23 ILE B 712 -8.070 13.106 -23.122 1.00 0.00 H new ATOM 0 HD11 ILE B 712 -10.123 11.941 -26.411 1.00 0.00 H new ATOM 0 HD12 ILE B 712 -9.206 13.415 -26.804 1.00 0.00 H new ATOM 0 HD13 ILE B 712 -8.533 12.226 -25.664 1.00 0.00 H new ATOM 1906 N GLY B 713 -8.733 16.664 -21.620 1.00 0.00 N ATOM 1907 CA GLY B 713 -8.061 17.033 -20.370 1.00 0.00 C ATOM 1908 C GLY B 713 -9.089 17.683 -19.446 1.00 0.00 C ATOM 1909 O GLY B 713 -8.986 18.877 -19.158 1.00 0.00 O ATOM 0 H GLY B 713 -8.759 17.404 -22.321 1.00 0.00 H new ATOM 0 HA2 GLY B 713 -7.629 16.151 -19.897 1.00 0.00 H new ATOM 0 HA3 GLY B 713 -7.240 17.722 -20.569 1.00 0.00 H new ATOM 1913 N HIS B 714 -10.143 16.933 -19.107 1.00 0.00 N ATOM 1914 CA HIS B 714 -11.319 17.457 -18.415 1.00 0.00 C ATOM 1915 C HIS B 714 -10.943 18.099 -17.074 1.00 0.00 C ATOM 1916 O HIS B 714 -10.075 17.593 -16.354 1.00 0.00 O ATOM 1917 CB HIS B 714 -12.343 16.331 -18.218 1.00 0.00 C ATOM 1918 CG HIS B 714 -13.619 16.814 -17.581 1.00 0.00 C ATOM 1919 ND1 HIS B 714 -14.058 16.471 -16.301 1.00 0.00 N ATOM 1920 CD2 HIS B 714 -14.503 17.689 -18.140 1.00 0.00 C ATOM 1921 CE1 HIS B 714 -15.198 17.164 -16.114 1.00 0.00 C ATOM 1922 NE2 HIS B 714 -15.491 17.893 -17.205 1.00 0.00 N ATOM 0 H HIS B 714 -10.201 15.935 -19.309 1.00 0.00 H new ATOM 0 HA HIS B 714 -11.763 18.240 -19.030 1.00 0.00 H new ATOM 0 HB2 HIS B 714 -12.571 15.880 -19.183 1.00 0.00 H new ATOM 0 HB3 HIS B 714 -11.904 15.550 -17.597 1.00 0.00 H new ATOM 0 HD2 HIS B 714 -14.440 18.134 -19.122 1.00 0.00 H new ATOM 0 HE1 HIS B 714 -15.793 17.138 -15.213 1.00 0.00 H new ATOM 0 HE2 HIS B 714 -16.307 18.495 -17.320 1.00 0.00 H new ATOM 1930 N LYS B 715 -11.602 19.211 -16.738 1.00 0.00 N ATOM 1931 CA LYS B 715 -11.461 19.961 -15.498 1.00 0.00 C ATOM 1932 C LYS B 715 -12.724 20.815 -15.336 1.00 0.00 C ATOM 1933 O LYS B 715 -13.405 21.088 -16.357 1.00 0.00 O ATOM 1934 CB LYS B 715 -10.187 20.830 -15.498 1.00 0.00 C ATOM 1935 CG LYS B 715 -10.030 21.755 -16.726 1.00 0.00 C ATOM 1936 CD LYS B 715 -8.803 22.676 -16.637 1.00 0.00 C ATOM 1937 CE LYS B 715 -8.958 23.740 -15.537 1.00 0.00 C ATOM 1938 NZ LYS B 715 -7.814 24.692 -15.505 1.00 0.00 N ATOM 1939 OXT LYS B 715 -13.037 21.214 -14.192 1.00 0.00 O ATOM 0 H LYS B 715 -12.287 19.632 -17.365 1.00 0.00 H new ATOM 0 HA LYS B 715 -11.354 19.277 -14.656 1.00 0.00 H new ATOM 0 HB2 LYS B 715 -10.183 21.443 -14.597 1.00 0.00 H new ATOM 0 HB3 LYS B 715 -9.318 20.175 -15.442 1.00 0.00 H new ATOM 0 HG2 LYS B 715 -9.953 21.144 -17.625 1.00 0.00 H new ATOM 0 HG3 LYS B 715 -10.927 22.365 -16.830 1.00 0.00 H new ATOM 0 HD2 LYS B 715 -7.914 22.077 -16.439 1.00 0.00 H new ATOM 0 HD3 LYS B 715 -8.649 23.168 -17.597 1.00 0.00 H new ATOM 0 HE2 LYS B 715 -9.883 24.293 -15.698 1.00 0.00 H new ATOM 0 HE3 LYS B 715 -9.045 23.248 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 715 -7.964 25.389 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 715 -6.933 24.170 -15.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 715 -7.745 25.183 -16.419 1.00 0.00 H new TER 1953 LYS B 715