USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 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 45 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0516 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 1.14 USER MOD Single : A 3 SER OG : rot 49:sc= 0.928 USER MOD Single : A 5 SER OG : rot 36:sc= 0.118 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00325 X(o=-0.0032,f=0) USER MOD Single : A 18 THR OG1 : rot 32:sc= -0.516 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 23 SER OG : rot 72:sc= 0.284 USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= -0.0439 (180deg=-0.868) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.087) USER MOD Single : A 39 MET CE :methyl -170:sc= -2.35! (180deg=-2.66!) USER MOD Single : A 42 ASN : amide:sc= -0.072 X(o=-0.072,f=-0.31) USER MOD Single : A 56 GLN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 57 MET CE :methyl 153:sc= -3.28! (180deg=-8.07!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.951 K(o=-0.95,f=-2.4!) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.503 (180deg=-1.52) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 110:sc= -1.23 USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= 0.138 (180deg=0.0544) USER MOD Single : A 81 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.98) USER MOD Single : A 83 MET CE :methyl -131:sc=-0.00671 (180deg=-0.692) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -78:sc= -3.66! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 33:sc= 0.568 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.709 0.066 12.236 1.00 0.00 N ATOM 2 CA GLY A 1 -29.406 -0.146 11.629 1.00 0.00 C ATOM 3 C GLY A 1 -29.464 0.070 10.115 1.00 0.00 C ATOM 4 O GLY A 1 -30.518 -0.092 9.502 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.701 0.956 12.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.434 0.118 11.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.926 -0.724 12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.680 0.537 12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.062 -1.158 11.843 1.00 0.00 H new ATOM 8 N SER A 2 -28.318 0.432 9.557 1.00 0.00 N ATOM 9 CA SER A 2 -28.226 0.672 8.127 1.00 0.00 C ATOM 10 C SER A 2 -26.759 0.679 7.691 1.00 0.00 C ATOM 11 O SER A 2 -26.124 1.732 7.656 1.00 0.00 O ATOM 12 CB SER A 2 -28.900 1.991 7.745 1.00 0.00 C ATOM 13 OG SER A 2 -28.218 3.117 8.291 1.00 0.00 O ATOM 0 H SER A 2 -27.446 0.565 10.069 1.00 0.00 H new ATOM 0 HA SER A 2 -28.748 -0.134 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.934 2.079 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.932 1.986 8.097 1.00 0.00 H new ATOM 0 HG SER A 2 -27.251 2.965 8.250 1.00 0.00 H new ATOM 19 N SER A 3 -26.264 -0.507 7.371 1.00 0.00 N ATOM 20 CA SER A 3 -24.884 -0.650 6.940 1.00 0.00 C ATOM 21 C SER A 3 -24.626 -2.087 6.480 1.00 0.00 C ATOM 22 O SER A 3 -25.367 -3.000 6.840 1.00 0.00 O ATOM 23 CB SER A 3 -23.914 -0.269 8.060 1.00 0.00 C ATOM 24 OG SER A 3 -23.485 1.086 7.956 1.00 0.00 O ATOM 0 H SER A 3 -26.794 -1.378 7.402 1.00 0.00 H new ATOM 0 HA SER A 3 -24.715 0.029 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.396 -0.424 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.046 -0.928 8.028 1.00 0.00 H new ATOM 0 HG SER A 3 -24.264 1.667 7.825 1.00 0.00 H new ATOM 30 N GLY A 4 -23.572 -2.242 5.691 1.00 0.00 N ATOM 31 CA GLY A 4 -23.208 -3.551 5.179 1.00 0.00 C ATOM 32 C GLY A 4 -21.780 -3.546 4.629 1.00 0.00 C ATOM 33 O GLY A 4 -21.415 -2.671 3.846 1.00 0.00 O ATOM 0 H GLY A 4 -22.959 -1.482 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.293 -4.293 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.904 -3.844 4.393 1.00 0.00 H new ATOM 37 N SER A 5 -21.010 -4.534 5.062 1.00 0.00 N ATOM 38 CA SER A 5 -19.630 -4.655 4.623 1.00 0.00 C ATOM 39 C SER A 5 -19.394 -6.038 4.012 1.00 0.00 C ATOM 40 O SER A 5 -19.669 -7.055 4.646 1.00 0.00 O ATOM 41 CB SER A 5 -18.660 -4.414 5.781 1.00 0.00 C ATOM 42 OG SER A 5 -18.880 -5.320 6.859 1.00 0.00 O ATOM 0 H SER A 5 -21.316 -5.258 5.712 1.00 0.00 H new ATOM 0 HA SER A 5 -19.445 -3.894 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.636 -4.518 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.770 -3.391 6.139 1.00 0.00 H new ATOM 0 HG SER A 5 -19.146 -6.194 6.503 1.00 0.00 H new ATOM 48 N SER A 6 -18.888 -6.030 2.788 1.00 0.00 N ATOM 49 CA SER A 6 -18.612 -7.272 2.085 1.00 0.00 C ATOM 50 C SER A 6 -17.535 -7.043 1.022 1.00 0.00 C ATOM 51 O SER A 6 -17.456 -5.965 0.435 1.00 0.00 O ATOM 52 CB SER A 6 -19.881 -7.834 1.441 1.00 0.00 C ATOM 53 OG SER A 6 -20.343 -7.017 0.369 1.00 0.00 O ATOM 0 H SER A 6 -18.662 -5.184 2.265 1.00 0.00 H new ATOM 0 HA SER A 6 -18.250 -8.002 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.685 -8.840 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.663 -7.919 2.195 1.00 0.00 H new ATOM 0 HG SER A 6 -21.153 -7.411 -0.017 1.00 0.00 H new ATOM 59 N GLY A 7 -16.733 -8.075 0.807 1.00 0.00 N ATOM 60 CA GLY A 7 -15.664 -8.000 -0.175 1.00 0.00 C ATOM 61 C GLY A 7 -14.982 -9.359 -0.348 1.00 0.00 C ATOM 62 O GLY A 7 -15.061 -10.214 0.534 1.00 0.00 O ATOM 0 H GLY A 7 -16.802 -8.968 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.067 -7.667 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.930 -7.258 0.138 1.00 0.00 H new ATOM 66 N GLU A 8 -14.327 -9.516 -1.489 1.00 0.00 N ATOM 67 CA GLU A 8 -13.632 -10.756 -1.788 1.00 0.00 C ATOM 68 C GLU A 8 -12.458 -10.491 -2.733 1.00 0.00 C ATOM 69 O GLU A 8 -12.350 -11.120 -3.785 1.00 0.00 O ATOM 70 CB GLU A 8 -14.589 -11.793 -2.379 1.00 0.00 C ATOM 71 CG GLU A 8 -15.111 -11.341 -3.745 1.00 0.00 C ATOM 72 CD GLU A 8 -16.599 -10.992 -3.675 1.00 0.00 C ATOM 73 OE1 GLU A 8 -17.316 -11.708 -2.944 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.985 -10.017 -4.355 1.00 0.00 O ATOM 0 H GLU A 8 -14.263 -8.805 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.239 -11.163 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.077 -12.750 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.426 -11.950 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.546 -10.473 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.953 -12.132 -4.478 1.00 0.00 H new ATOM 81 N GLY A 9 -11.609 -9.560 -2.325 1.00 0.00 N ATOM 82 CA GLY A 9 -10.447 -9.205 -3.122 1.00 0.00 C ATOM 83 C GLY A 9 -9.578 -8.175 -2.397 1.00 0.00 C ATOM 84 O GLY A 9 -10.086 -7.177 -1.888 1.00 0.00 O ATOM 0 H GLY A 9 -11.702 -9.040 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.859 -10.098 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.769 -8.802 -4.082 1.00 0.00 H new ATOM 88 N TYR A 10 -8.283 -8.453 -2.372 1.00 0.00 N ATOM 89 CA TYR A 10 -7.339 -7.564 -1.718 1.00 0.00 C ATOM 90 C TYR A 10 -6.438 -6.871 -2.742 1.00 0.00 C ATOM 91 O TYR A 10 -6.527 -5.659 -2.934 1.00 0.00 O ATOM 92 CB TYR A 10 -6.478 -8.451 -0.817 1.00 0.00 C ATOM 93 CG TYR A 10 -7.196 -8.941 0.442 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.986 -8.073 1.168 1.00 0.00 C ATOM 95 CD2 TYR A 10 -7.054 -10.252 0.852 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.662 -8.535 2.353 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.729 -10.713 2.037 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.500 -9.832 2.729 1.00 0.00 C ATOM 99 OH TYR A 10 -9.138 -10.268 3.849 1.00 0.00 O ATOM 0 H TYR A 10 -7.865 -9.282 -2.795 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.865 -6.789 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.141 -9.315 -1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.587 -7.896 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.097 -7.048 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.436 -10.932 0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.284 -7.866 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.625 -11.735 2.369 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.932 -11.215 3.995 1.00 0.00 H new ATOM 109 N GLU A 11 -5.590 -7.670 -3.373 1.00 0.00 N ATOM 110 CA GLU A 11 -4.673 -7.150 -4.373 1.00 0.00 C ATOM 111 C GLU A 11 -5.363 -6.076 -5.217 1.00 0.00 C ATOM 112 O GLU A 11 -4.857 -4.962 -5.345 1.00 0.00 O ATOM 113 CB GLU A 11 -4.127 -8.274 -5.255 1.00 0.00 C ATOM 114 CG GLU A 11 -2.870 -8.892 -4.639 1.00 0.00 C ATOM 115 CD GLU A 11 -3.115 -10.348 -4.236 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.135 -10.582 -3.552 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.278 -11.192 -4.621 1.00 0.00 O ATOM 0 H GLU A 11 -5.519 -8.675 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.827 -6.694 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.889 -9.043 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.897 -7.884 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.048 -8.842 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.568 -8.315 -3.765 1.00 0.00 H new ATOM 124 N GLN A 12 -6.507 -6.449 -5.772 1.00 0.00 N ATOM 125 CA GLN A 12 -7.270 -5.532 -6.601 1.00 0.00 C ATOM 126 C GLN A 12 -7.329 -4.150 -5.948 1.00 0.00 C ATOM 127 O GLN A 12 -6.962 -3.152 -6.565 1.00 0.00 O ATOM 128 CB GLN A 12 -8.677 -6.074 -6.865 1.00 0.00 C ATOM 129 CG GLN A 12 -9.319 -5.371 -8.063 1.00 0.00 C ATOM 130 CD GLN A 12 -10.846 -5.415 -7.970 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.471 -6.455 -8.091 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.408 -4.230 -7.749 1.00 0.00 N ATOM 0 H GLN A 12 -6.924 -7.374 -5.664 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.766 -5.437 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.628 -7.147 -7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.297 -5.932 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.983 -4.335 -8.104 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.993 -5.849 -8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.825 -3.398 -7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.422 -4.153 -7.671 1.00 0.00 H new ATOM 141 N ASP A 13 -7.794 -4.136 -4.707 1.00 0.00 N ATOM 142 CA ASP A 13 -7.905 -2.892 -3.963 1.00 0.00 C ATOM 143 C ASP A 13 -6.525 -2.239 -3.860 1.00 0.00 C ATOM 144 O ASP A 13 -6.347 -1.090 -4.260 1.00 0.00 O ATOM 145 CB ASP A 13 -8.416 -3.143 -2.544 1.00 0.00 C ATOM 146 CG ASP A 13 -9.883 -2.775 -2.310 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.739 -3.634 -2.611 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.114 -1.642 -1.834 1.00 0.00 O ATOM 0 H ASP A 13 -8.098 -4.966 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.607 -2.246 -4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.279 -4.198 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.799 -2.576 -1.846 1.00 0.00 H new ATOM 153 N PHE A 14 -5.584 -3.001 -3.323 1.00 0.00 N ATOM 154 CA PHE A 14 -4.225 -2.511 -3.162 1.00 0.00 C ATOM 155 C PHE A 14 -3.708 -1.894 -4.463 1.00 0.00 C ATOM 156 O PHE A 14 -3.290 -0.737 -4.482 1.00 0.00 O ATOM 157 CB PHE A 14 -3.355 -3.717 -2.802 1.00 0.00 C ATOM 158 CG PHE A 14 -1.872 -3.383 -2.625 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.448 -2.745 -1.502 1.00 0.00 C ATOM 160 CD2 PHE A 14 -0.978 -3.724 -3.592 1.00 0.00 C ATOM 161 CE1 PHE A 14 -0.072 -2.435 -1.338 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.398 -3.415 -3.428 1.00 0.00 C ATOM 163 CZ PHE A 14 0.822 -2.776 -2.305 1.00 0.00 C ATOM 0 H PHE A 14 -5.735 -3.954 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.195 -1.743 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.730 -4.160 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.457 -4.471 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.158 -2.474 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.315 -4.230 -4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.265 -1.929 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.108 -3.687 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.868 -2.539 -2.181 1.00 0.00 H new ATOM 173 N ALA A 15 -3.752 -2.693 -5.519 1.00 0.00 N ATOM 174 CA ALA A 15 -3.293 -2.240 -6.820 1.00 0.00 C ATOM 175 C ALA A 15 -3.971 -0.911 -7.161 1.00 0.00 C ATOM 176 O ALA A 15 -3.299 0.101 -7.355 1.00 0.00 O ATOM 177 CB ALA A 15 -3.572 -3.322 -7.866 1.00 0.00 C ATOM 0 H ALA A 15 -4.099 -3.652 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.217 -2.068 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.227 -2.982 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.045 -4.236 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.643 -3.520 -7.908 1.00 0.00 H new ATOM 183 N VAL A 16 -5.294 -0.957 -7.223 1.00 0.00 N ATOM 184 CA VAL A 16 -6.070 0.230 -7.537 1.00 0.00 C ATOM 185 C VAL A 16 -5.622 1.381 -6.634 1.00 0.00 C ATOM 186 O VAL A 16 -5.606 2.536 -7.055 1.00 0.00 O ATOM 187 CB VAL A 16 -7.565 -0.075 -7.419 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.389 1.214 -7.411 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.023 -1.011 -8.540 1.00 0.00 C ATOM 0 H VAL A 16 -5.848 -1.798 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.895 0.538 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.729 -0.583 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.448 0.969 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.091 1.831 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.217 1.762 -8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.089 -1.212 -8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.837 -0.540 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.469 -1.948 -8.481 1.00 0.00 H new ATOM 199 N LEU A 17 -5.269 1.025 -5.407 1.00 0.00 N ATOM 200 CA LEU A 17 -4.822 2.013 -4.440 1.00 0.00 C ATOM 201 C LEU A 17 -3.451 2.547 -4.860 1.00 0.00 C ATOM 202 O LEU A 17 -3.245 3.758 -4.924 1.00 0.00 O ATOM 203 CB LEU A 17 -4.849 1.430 -3.026 1.00 0.00 C ATOM 204 CG LEU A 17 -6.186 1.518 -2.289 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.213 0.574 -1.085 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.498 2.962 -1.891 1.00 0.00 C ATOM 0 H LEU A 17 -5.284 0.066 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.504 2.863 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.556 0.382 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.094 1.941 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.973 1.193 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.175 0.657 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.068 -0.452 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.415 0.844 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.454 2.997 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.712 3.337 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.551 3.583 -2.785 1.00 0.00 H new ATOM 218 N THR A 18 -2.548 1.616 -5.134 1.00 0.00 N ATOM 219 CA THR A 18 -1.202 1.978 -5.546 1.00 0.00 C ATOM 220 C THR A 18 -1.234 2.714 -6.887 1.00 0.00 C ATOM 221 O THR A 18 -0.231 3.286 -7.309 1.00 0.00 O ATOM 222 CB THR A 18 -0.357 0.703 -5.572 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.142 -0.219 -6.324 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.237 0.052 -4.193 1.00 0.00 C ATOM 0 H THR A 18 -2.722 0.612 -5.079 1.00 0.00 H new ATOM 0 HA THR A 18 -0.746 2.673 -4.841 1.00 0.00 H new ATOM 0 HB THR A 18 0.638 0.935 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.656 0.266 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.372 -0.849 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.232 0.751 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.230 -0.211 -3.827 1.00 0.00 H new ATOM 232 N ALA A 19 -2.398 2.674 -7.519 1.00 0.00 N ATOM 233 CA ALA A 19 -2.574 3.330 -8.804 1.00 0.00 C ATOM 234 C ALA A 19 -3.152 4.729 -8.583 1.00 0.00 C ATOM 235 O ALA A 19 -2.600 5.717 -9.065 1.00 0.00 O ATOM 236 CB ALA A 19 -3.463 2.467 -9.701 1.00 0.00 C ATOM 0 H ALA A 19 -3.228 2.198 -7.166 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.615 3.446 -9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.595 2.959 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.994 1.495 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.435 2.331 -9.227 1.00 0.00 H new ATOM 242 N GLU A 20 -4.258 4.769 -7.853 1.00 0.00 N ATOM 243 CA GLU A 20 -4.917 6.031 -7.562 1.00 0.00 C ATOM 244 C GLU A 20 -3.974 6.958 -6.793 1.00 0.00 C ATOM 245 O GLU A 20 -3.810 8.122 -7.155 1.00 0.00 O ATOM 246 CB GLU A 20 -6.216 5.804 -6.786 1.00 0.00 C ATOM 247 CG GLU A 20 -7.318 6.746 -7.275 1.00 0.00 C ATOM 248 CD GLU A 20 -8.417 6.897 -6.221 1.00 0.00 C ATOM 249 OE1 GLU A 20 -8.050 7.060 -5.037 1.00 0.00 O ATOM 250 OE2 GLU A 20 -9.600 6.846 -6.623 1.00 0.00 O ATOM 0 H GLU A 20 -4.714 3.948 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.175 6.510 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.538 4.769 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.041 5.964 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.892 7.723 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.747 6.361 -8.200 1.00 0.00 H new ATOM 257 N ILE A 21 -3.378 6.407 -5.745 1.00 0.00 N ATOM 258 CA ILE A 21 -2.455 7.170 -4.922 1.00 0.00 C ATOM 259 C ILE A 21 -1.379 7.794 -5.814 1.00 0.00 C ATOM 260 O ILE A 21 -1.197 9.010 -5.814 1.00 0.00 O ATOM 261 CB ILE A 21 -1.892 6.297 -3.798 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.014 5.768 -2.902 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.828 7.051 -3.000 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.494 4.682 -1.958 1.00 0.00 C ATOM 0 H ILE A 21 -3.517 5.441 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.975 7.991 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.404 5.432 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.438 6.587 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.818 5.365 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.444 6.408 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.011 7.337 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.269 7.946 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.311 4.323 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.093 3.854 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.707 5.095 -1.326 1.00 0.00 H new ATOM 276 N THR A 22 -0.695 6.932 -6.552 1.00 0.00 N ATOM 277 CA THR A 22 0.358 7.383 -7.446 1.00 0.00 C ATOM 278 C THR A 22 -0.100 8.615 -8.229 1.00 0.00 C ATOM 279 O THR A 22 0.565 9.650 -8.210 1.00 0.00 O ATOM 280 CB THR A 22 0.754 6.207 -8.341 1.00 0.00 C ATOM 281 OG1 THR A 22 2.172 6.136 -8.212 1.00 0.00 O ATOM 282 CG2 THR A 22 0.529 6.499 -9.826 1.00 0.00 C ATOM 0 H THR A 22 -0.849 5.924 -6.549 1.00 0.00 H new ATOM 0 HA THR A 22 1.241 7.699 -6.890 1.00 0.00 H new ATOM 0 HB THR A 22 0.183 5.324 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.514 5.398 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.826 5.632 -10.416 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.526 6.712 -9.999 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.126 7.361 -10.122 1.00 0.00 H new ATOM 290 N SER A 23 -1.233 8.464 -8.900 1.00 0.00 N ATOM 291 CA SER A 23 -1.787 9.552 -9.688 1.00 0.00 C ATOM 292 C SER A 23 -1.908 10.812 -8.829 1.00 0.00 C ATOM 293 O SER A 23 -1.332 11.849 -9.157 1.00 0.00 O ATOM 294 CB SER A 23 -3.150 9.172 -10.268 1.00 0.00 C ATOM 295 OG SER A 23 -3.080 7.999 -11.075 1.00 0.00 O ATOM 0 H SER A 23 -1.782 7.605 -8.914 1.00 0.00 H new ATOM 0 HA SER A 23 -1.111 9.751 -10.519 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.858 9.011 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.533 10.000 -10.864 1.00 0.00 H new ATOM 0 HG SER A 23 -2.941 7.216 -10.502 1.00 0.00 H new ATOM 301 N LYS A 24 -2.660 10.681 -7.746 1.00 0.00 N ATOM 302 CA LYS A 24 -2.863 11.797 -6.837 1.00 0.00 C ATOM 303 C LYS A 24 -1.504 12.345 -6.398 1.00 0.00 C ATOM 304 O LYS A 24 -1.343 13.553 -6.231 1.00 0.00 O ATOM 305 CB LYS A 24 -3.765 11.382 -5.673 1.00 0.00 C ATOM 306 CG LYS A 24 -5.242 11.480 -6.061 1.00 0.00 C ATOM 307 CD LYS A 24 -5.951 10.139 -5.863 1.00 0.00 C ATOM 308 CE LYS A 24 -7.423 10.232 -6.271 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.549 10.284 -7.745 1.00 0.00 N ATOM 0 H LYS A 24 -3.136 9.820 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.386 12.609 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.531 10.360 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.569 12.020 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.730 12.246 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.328 11.791 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.454 9.370 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.878 9.835 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.969 9.372 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.874 11.121 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.065 11.144 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.602 10.297 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.069 9.448 -8.079 1.00 0.00 H new ATOM 323 N ILE A 25 -0.561 11.431 -6.222 1.00 0.00 N ATOM 324 CA ILE A 25 0.778 11.808 -5.805 1.00 0.00 C ATOM 325 C ILE A 25 1.425 12.665 -6.895 1.00 0.00 C ATOM 326 O ILE A 25 2.219 13.557 -6.600 1.00 0.00 O ATOM 327 CB ILE A 25 1.593 10.568 -5.433 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.081 9.945 -4.133 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.086 10.893 -5.364 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.599 8.515 -3.969 1.00 0.00 C ATOM 0 H ILE A 25 -0.698 10.430 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 25 0.738 12.417 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 25 1.462 9.825 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.400 10.551 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.009 9.943 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.642 9.994 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.425 11.255 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.257 11.662 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.220 8.095 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.258 7.906 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.689 8.523 -3.947 1.00 0.00 H new ATOM 342 N ALA A 26 1.061 12.364 -8.133 1.00 0.00 N ATOM 343 CA ALA A 26 1.597 13.095 -9.269 1.00 0.00 C ATOM 344 C ALA A 26 0.805 14.391 -9.454 1.00 0.00 C ATOM 345 O ALA A 26 1.203 15.260 -10.229 1.00 0.00 O ATOM 346 CB ALA A 26 1.557 12.205 -10.514 1.00 0.00 C ATOM 0 H ALA A 26 0.402 11.624 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 26 2.638 13.366 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.959 12.753 -11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.157 11.311 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.527 11.916 -10.722 1.00 0.00 H new ATOM 352 N ARG A 27 -0.300 14.481 -8.729 1.00 0.00 N ATOM 353 CA ARG A 27 -1.150 15.657 -8.804 1.00 0.00 C ATOM 354 C ARG A 27 -0.851 16.603 -7.639 1.00 0.00 C ATOM 355 O ARG A 27 -1.142 17.796 -7.713 1.00 0.00 O ATOM 356 CB ARG A 27 -2.630 15.270 -8.770 1.00 0.00 C ATOM 357 CG ARG A 27 -3.170 15.046 -10.184 1.00 0.00 C ATOM 358 CD ARG A 27 -4.683 15.268 -10.234 1.00 0.00 C ATOM 359 NE ARG A 27 -5.263 14.544 -11.387 1.00 0.00 N ATOM 360 CZ ARG A 27 -6.567 14.263 -11.520 1.00 0.00 C ATOM 361 NH1 ARG A 27 -7.434 14.643 -10.572 1.00 0.00 N ATOM 362 NH2 ARG A 27 -7.003 13.602 -12.601 1.00 0.00 N ATOM 0 H ARG A 27 -0.626 13.759 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.939 16.159 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.759 14.363 -8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.204 16.055 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.676 15.726 -10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.936 14.032 -10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.141 14.920 -9.308 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.900 16.333 -10.316 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.631 14.240 -12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.102 15.146 -9.749 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.426 14.429 -10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.343 13.313 -13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.995 13.388 -12.702 1.00 0.00 H new ATOM 376 N VAL A 28 -0.274 16.035 -6.590 1.00 0.00 N ATOM 377 CA VAL A 28 0.067 16.812 -5.411 1.00 0.00 C ATOM 378 C VAL A 28 0.887 18.034 -5.831 1.00 0.00 C ATOM 379 O VAL A 28 0.582 19.157 -5.434 1.00 0.00 O ATOM 380 CB VAL A 28 0.791 15.929 -4.393 1.00 0.00 C ATOM 381 CG1 VAL A 28 1.951 16.682 -3.739 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.183 15.398 -3.338 1.00 0.00 C ATOM 0 H VAL A 28 -0.034 15.045 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.835 17.177 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 28 1.206 15.074 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.448 16.031 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.664 16.988 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.569 17.564 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.357 14.773 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.641 16.235 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.959 14.807 -3.824 1.00 0.00 H new ATOM 392 N PRO A 29 1.939 17.766 -6.651 1.00 0.00 N ATOM 393 CA PRO A 29 2.805 18.831 -7.129 1.00 0.00 C ATOM 394 C PRO A 29 2.116 19.648 -8.223 1.00 0.00 C ATOM 395 O PRO A 29 2.703 20.581 -8.769 1.00 0.00 O ATOM 396 CB PRO A 29 4.061 18.127 -7.615 1.00 0.00 C ATOM 397 CG PRO A 29 3.671 16.673 -7.822 1.00 0.00 C ATOM 398 CD PRO A 29 2.331 16.448 -7.142 1.00 0.00 C ATOM 0 HA PRO A 29 3.046 19.558 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.423 18.570 -8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.865 18.215 -6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.602 16.444 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.428 16.011 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.594 16.050 -7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.417 15.731 -6.326 1.00 0.00 H new ATOM 406 N ARG A 30 0.880 19.268 -8.512 1.00 0.00 N ATOM 407 CA ARG A 30 0.104 19.954 -9.531 1.00 0.00 C ATOM 408 C ARG A 30 -1.255 20.376 -8.970 1.00 0.00 C ATOM 409 O ARG A 30 -2.201 20.597 -9.725 1.00 0.00 O ATOM 410 CB ARG A 30 -0.112 19.060 -10.754 1.00 0.00 C ATOM 411 CG ARG A 30 1.167 18.950 -11.586 1.00 0.00 C ATOM 412 CD ARG A 30 1.044 17.846 -12.638 1.00 0.00 C ATOM 413 NE ARG A 30 0.683 18.432 -13.947 1.00 0.00 N ATOM 414 CZ ARG A 30 0.713 17.760 -15.106 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.089 16.474 -15.125 1.00 0.00 N ATOM 416 NH2 ARG A 30 0.369 18.374 -16.246 1.00 0.00 N ATOM 0 H ARG A 30 0.397 18.493 -8.058 1.00 0.00 H new ATOM 0 HA ARG A 30 0.665 20.838 -9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.427 18.067 -10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.916 19.466 -11.368 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.370 19.903 -12.075 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.014 18.741 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.986 17.304 -12.720 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.287 17.124 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 30 0.393 19.410 -13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.352 16.007 -14.257 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.112 15.962 -16.007 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.084 19.353 -16.232 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.392 17.862 -17.128 1.00 0.00 H new ATOM 430 N LEU A 31 -1.309 20.476 -7.650 1.00 0.00 N ATOM 431 CA LEU A 31 -2.537 20.867 -6.979 1.00 0.00 C ATOM 432 C LEU A 31 -2.278 22.122 -6.142 1.00 0.00 C ATOM 433 O LEU A 31 -1.135 22.418 -5.798 1.00 0.00 O ATOM 434 CB LEU A 31 -3.104 19.697 -6.173 1.00 0.00 C ATOM 435 CG LEU A 31 -3.865 18.638 -6.973 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.083 17.373 -6.140 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.180 19.201 -7.515 1.00 0.00 C ATOM 0 H LEU A 31 -0.522 20.293 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.305 21.122 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.281 19.208 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.772 20.097 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.257 18.356 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.626 16.637 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.118 16.961 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.660 17.619 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.701 18.428 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.806 19.528 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.971 20.049 -8.168 1.00 0.00 H new ATOM 449 N PRO A 32 -3.387 22.845 -5.831 1.00 0.00 N ATOM 450 CA PRO A 32 -3.291 24.061 -5.042 1.00 0.00 C ATOM 451 C PRO A 32 -3.045 23.738 -3.566 1.00 0.00 C ATOM 452 O PRO A 32 -3.140 22.583 -3.155 1.00 0.00 O ATOM 453 CB PRO A 32 -4.604 24.789 -5.280 1.00 0.00 C ATOM 454 CG PRO A 32 -5.569 23.744 -5.817 1.00 0.00 C ATOM 455 CD PRO A 32 -4.757 22.525 -6.222 1.00 0.00 C ATOM 0 HA PRO A 32 -2.446 24.686 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.979 25.229 -4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.475 25.604 -5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.305 23.478 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.120 24.137 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.113 21.627 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.830 22.339 -7.294 1.00 0.00 H new ATOM 463 N PRO A 33 -2.726 24.808 -2.790 1.00 0.00 N ATOM 464 CA PRO A 33 -2.466 24.651 -1.369 1.00 0.00 C ATOM 465 C PRO A 33 -3.767 24.433 -0.594 1.00 0.00 C ATOM 466 O PRO A 33 -3.750 24.290 0.628 1.00 0.00 O ATOM 467 CB PRO A 33 -1.736 25.919 -0.959 1.00 0.00 C ATOM 468 CG PRO A 33 -2.024 26.937 -2.052 1.00 0.00 C ATOM 469 CD PRO A 33 -2.605 26.191 -3.242 1.00 0.00 C ATOM 0 HA PRO A 33 -1.862 23.771 -1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.087 26.276 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.665 25.740 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.725 27.692 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.111 27.459 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.574 26.599 -3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.954 26.267 -4.113 1.00 0.00 H new ATOM 477 N ASP A 34 -4.865 24.414 -1.337 1.00 0.00 N ATOM 478 CA ASP A 34 -6.172 24.216 -0.735 1.00 0.00 C ATOM 479 C ASP A 34 -6.574 22.746 -0.872 1.00 0.00 C ATOM 480 O ASP A 34 -7.152 22.168 0.048 1.00 0.00 O ATOM 481 CB ASP A 34 -7.235 25.064 -1.435 1.00 0.00 C ATOM 482 CG ASP A 34 -7.517 26.418 -0.780 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.529 27.078 -0.393 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.715 26.761 -0.680 1.00 0.00 O ATOM 0 H ASP A 34 -4.875 24.533 -2.350 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.109 24.510 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.922 25.234 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.164 24.496 -1.474 1.00 0.00 H new ATOM 489 N GLU A 35 -6.254 22.183 -2.028 1.00 0.00 N ATOM 490 CA GLU A 35 -6.575 20.792 -2.297 1.00 0.00 C ATOM 491 C GLU A 35 -5.373 19.899 -1.982 1.00 0.00 C ATOM 492 O GLU A 35 -5.537 18.731 -1.635 1.00 0.00 O ATOM 493 CB GLU A 35 -7.033 20.605 -3.745 1.00 0.00 C ATOM 494 CG GLU A 35 -8.557 20.687 -3.853 1.00 0.00 C ATOM 495 CD GLU A 35 -9.219 19.476 -3.194 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.868 18.347 -3.598 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.062 19.708 -2.300 1.00 0.00 O ATOM 0 H GLU A 35 -5.776 22.665 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.401 20.498 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.579 21.369 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.690 19.640 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.910 21.602 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.849 20.739 -4.902 1.00 0.00 H new ATOM 504 N LYS A 36 -4.192 20.484 -2.115 1.00 0.00 N ATOM 505 CA LYS A 36 -2.963 19.756 -1.849 1.00 0.00 C ATOM 506 C LYS A 36 -2.958 19.286 -0.393 1.00 0.00 C ATOM 507 O LYS A 36 -2.851 18.091 -0.122 1.00 0.00 O ATOM 508 CB LYS A 36 -1.746 20.604 -2.225 1.00 0.00 C ATOM 509 CG LYS A 36 -0.444 19.888 -1.859 1.00 0.00 C ATOM 510 CD LYS A 36 0.760 20.572 -2.509 1.00 0.00 C ATOM 511 CE LYS A 36 2.026 20.363 -1.675 1.00 0.00 C ATOM 512 NZ LYS A 36 2.595 21.666 -1.262 1.00 0.00 N ATOM 0 H LYS A 36 -4.060 21.453 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.907 18.864 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.761 20.814 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.794 21.564 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.321 19.880 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.494 18.848 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.911 20.174 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.563 21.639 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.794 19.765 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.762 19.805 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.453 21.507 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.835 22.223 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.897 22.185 -0.692 1.00 0.00 H new ATOM 526 N LYS A 37 -3.075 20.252 0.508 1.00 0.00 N ATOM 527 CA LYS A 37 -3.086 19.952 1.929 1.00 0.00 C ATOM 528 C LYS A 37 -3.888 18.671 2.170 1.00 0.00 C ATOM 529 O LYS A 37 -3.373 17.710 2.740 1.00 0.00 O ATOM 530 CB LYS A 37 -3.595 21.154 2.727 1.00 0.00 C ATOM 531 CG LYS A 37 -2.592 21.558 3.810 1.00 0.00 C ATOM 532 CD LYS A 37 -2.513 23.080 3.945 1.00 0.00 C ATOM 533 CE LYS A 37 -3.255 23.559 5.194 1.00 0.00 C ATOM 534 NZ LYS A 37 -2.989 24.994 5.436 1.00 0.00 N ATOM 0 H LYS A 37 -3.163 21.242 0.280 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.073 19.767 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.768 21.994 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.553 20.911 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.885 21.120 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.607 21.160 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.469 23.390 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.942 23.550 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.326 23.397 5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.940 22.974 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.500 25.303 6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.968 25.140 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.311 25.550 4.618 1.00 0.00 H new ATOM 548 N GLN A 38 -5.135 18.699 1.723 1.00 0.00 N ATOM 549 CA GLN A 38 -6.012 17.552 1.883 1.00 0.00 C ATOM 550 C GLN A 38 -5.458 16.349 1.117 1.00 0.00 C ATOM 551 O GLN A 38 -5.362 15.251 1.664 1.00 0.00 O ATOM 552 CB GLN A 38 -7.435 17.883 1.428 1.00 0.00 C ATOM 553 CG GLN A 38 -7.984 19.095 2.183 1.00 0.00 C ATOM 554 CD GLN A 38 -8.229 18.759 3.656 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.962 17.845 3.997 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.577 19.547 4.506 1.00 0.00 N ATOM 0 H GLN A 38 -5.559 19.498 1.250 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.054 17.296 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.441 18.084 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.083 17.022 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.280 19.924 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.915 19.424 1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.979 20.294 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.675 19.404 5.511 1.00 0.00 H new ATOM 565 N MET A 39 -5.108 16.596 -0.137 1.00 0.00 N ATOM 566 CA MET A 39 -4.566 15.546 -0.983 1.00 0.00 C ATOM 567 C MET A 39 -3.389 14.846 -0.302 1.00 0.00 C ATOM 568 O MET A 39 -3.362 13.619 -0.207 1.00 0.00 O ATOM 569 CB MET A 39 -4.103 16.149 -2.311 1.00 0.00 C ATOM 570 CG MET A 39 -3.589 15.062 -3.257 1.00 0.00 C ATOM 571 SD MET A 39 -4.879 13.870 -3.574 1.00 0.00 S ATOM 572 CE MET A 39 -5.601 14.577 -5.045 1.00 0.00 C ATOM 0 H MET A 39 -5.189 17.508 -0.587 1.00 0.00 H new ATOM 0 HA MET A 39 -5.349 14.809 -1.162 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.930 16.683 -2.780 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.315 16.879 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.258 15.510 -4.194 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.724 14.566 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.531 14.059 -5.279 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.807 15.634 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.907 14.470 -5.878 1.00 0.00 H new ATOM 582 N VAL A 40 -2.445 15.655 0.156 1.00 0.00 N ATOM 583 CA VAL A 40 -1.268 15.127 0.826 1.00 0.00 C ATOM 584 C VAL A 40 -1.705 14.242 1.994 1.00 0.00 C ATOM 585 O VAL A 40 -0.941 13.397 2.457 1.00 0.00 O ATOM 586 CB VAL A 40 -0.352 16.275 1.255 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.819 15.758 2.093 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.146 17.063 0.042 1.00 0.00 C ATOM 0 H VAL A 40 -2.471 16.672 0.077 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.688 14.503 0.146 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.935 16.954 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.455 16.594 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.437 15.264 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.401 15.048 1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.795 17.873 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.704 16.400 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.706 17.479 -0.496 1.00 0.00 H new ATOM 598 N ALA A 41 -2.933 14.466 2.438 1.00 0.00 N ATOM 599 CA ALA A 41 -3.482 13.700 3.544 1.00 0.00 C ATOM 600 C ALA A 41 -4.288 12.522 2.992 1.00 0.00 C ATOM 601 O ALA A 41 -4.224 11.416 3.527 1.00 0.00 O ATOM 602 CB ALA A 41 -4.323 14.617 4.433 1.00 0.00 C ATOM 0 H ALA A 41 -3.564 15.168 2.051 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.683 13.292 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.735 14.042 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.697 15.420 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.138 15.044 3.848 1.00 0.00 H new ATOM 608 N ASN A 42 -5.028 12.800 1.929 1.00 0.00 N ATOM 609 CA ASN A 42 -5.846 11.777 1.299 1.00 0.00 C ATOM 610 C ASN A 42 -4.975 10.562 0.974 1.00 0.00 C ATOM 611 O ASN A 42 -5.382 9.424 1.204 1.00 0.00 O ATOM 612 CB ASN A 42 -6.453 12.287 -0.010 1.00 0.00 C ATOM 613 CG ASN A 42 -7.925 11.883 -0.126 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.712 12.038 0.793 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.250 11.357 -1.303 1.00 0.00 N ATOM 0 H ASN A 42 -5.078 13.718 1.488 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.647 11.513 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.365 13.372 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.894 11.885 -0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.208 11.055 -1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.541 11.256 -2.030 1.00 0.00 H new ATOM 622 N VAL A 43 -3.794 10.845 0.446 1.00 0.00 N ATOM 623 CA VAL A 43 -2.862 9.789 0.088 1.00 0.00 C ATOM 624 C VAL A 43 -2.404 9.067 1.357 1.00 0.00 C ATOM 625 O VAL A 43 -2.248 7.847 1.359 1.00 0.00 O ATOM 626 CB VAL A 43 -1.701 10.368 -0.723 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.547 9.368 -0.819 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.166 10.804 -2.113 1.00 0.00 C ATOM 0 H VAL A 43 -3.461 11.790 0.257 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.348 9.050 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.336 11.252 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.265 9.804 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.189 9.129 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.894 8.457 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.321 11.212 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.571 9.945 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.938 11.567 -2.016 1.00 0.00 H new ATOM 638 N GLU A 44 -2.201 9.851 2.405 1.00 0.00 N ATOM 639 CA GLU A 44 -1.764 9.302 3.677 1.00 0.00 C ATOM 640 C GLU A 44 -2.773 8.268 4.184 1.00 0.00 C ATOM 641 O GLU A 44 -2.447 7.443 5.035 1.00 0.00 O ATOM 642 CB GLU A 44 -1.551 10.411 4.709 1.00 0.00 C ATOM 643 CG GLU A 44 -0.303 11.233 4.380 1.00 0.00 C ATOM 644 CD GLU A 44 0.743 11.110 5.489 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.353 11.300 6.661 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.910 10.829 5.140 1.00 0.00 O ATOM 0 H GLU A 44 -2.331 10.863 2.399 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.807 8.803 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.424 11.063 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.452 9.974 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.122 10.893 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.577 12.280 4.248 1.00 0.00 H new ATOM 653 N LYS A 45 -3.978 8.349 3.639 1.00 0.00 N ATOM 654 CA LYS A 45 -5.036 7.431 4.025 1.00 0.00 C ATOM 655 C LYS A 45 -4.965 6.179 3.148 1.00 0.00 C ATOM 656 O LYS A 45 -4.732 5.079 3.647 1.00 0.00 O ATOM 657 CB LYS A 45 -6.395 8.133 3.986 1.00 0.00 C ATOM 658 CG LYS A 45 -7.264 7.712 5.173 1.00 0.00 C ATOM 659 CD LYS A 45 -8.404 6.797 4.720 1.00 0.00 C ATOM 660 CE LYS A 45 -9.719 7.571 4.611 1.00 0.00 C ATOM 661 NZ LYS A 45 -10.668 6.860 3.726 1.00 0.00 N ATOM 0 H LYS A 45 -4.245 9.036 2.934 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.900 7.106 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.251 9.213 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.906 7.893 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.651 7.197 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.674 8.597 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.158 6.354 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.519 5.976 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.158 7.694 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.528 8.571 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.598 7.324 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.315 6.883 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.760 5.872 4.038 1.00 0.00 H new ATOM 675 N GLN A 46 -5.171 6.389 1.856 1.00 0.00 N ATOM 676 CA GLN A 46 -5.133 5.291 0.904 1.00 0.00 C ATOM 677 C GLN A 46 -3.857 4.468 1.094 1.00 0.00 C ATOM 678 O GLN A 46 -3.861 3.255 0.893 1.00 0.00 O ATOM 679 CB GLN A 46 -5.245 5.807 -0.532 1.00 0.00 C ATOM 680 CG GLN A 46 -6.703 6.082 -0.903 1.00 0.00 C ATOM 681 CD GLN A 46 -7.447 6.751 0.254 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.410 7.957 0.435 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.123 5.904 1.025 1.00 0.00 N ATOM 0 H GLN A 46 -5.365 7.303 1.446 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.990 4.644 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.660 6.720 -0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.823 5.074 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.743 6.722 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.198 5.147 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.112 4.905 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.653 6.253 1.824 1.00 0.00 H new ATOM 692 N LEU A 47 -2.795 5.162 1.478 1.00 0.00 N ATOM 693 CA LEU A 47 -1.515 4.510 1.697 1.00 0.00 C ATOM 694 C LEU A 47 -1.627 3.566 2.896 1.00 0.00 C ATOM 695 O LEU A 47 -1.514 2.350 2.746 1.00 0.00 O ATOM 696 CB LEU A 47 -0.401 5.550 1.835 1.00 0.00 C ATOM 697 CG LEU A 47 0.204 6.062 0.526 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.182 7.209 0.786 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.853 4.921 -0.260 1.00 0.00 C ATOM 0 H LEU A 47 -2.795 6.169 1.643 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.245 3.900 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.794 6.403 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.399 5.119 2.438 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.602 6.460 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.598 7.554 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.658 8.031 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.989 6.860 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.275 5.311 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.645 4.471 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.102 4.167 -0.494 1.00 0.00 H new ATOM 711 N GLU A 48 -1.846 4.162 4.059 1.00 0.00 N ATOM 712 CA GLU A 48 -1.973 3.389 5.283 1.00 0.00 C ATOM 713 C GLU A 48 -3.004 2.273 5.101 1.00 0.00 C ATOM 714 O GLU A 48 -2.882 1.206 5.701 1.00 0.00 O ATOM 715 CB GLU A 48 -2.342 4.289 6.464 1.00 0.00 C ATOM 716 CG GLU A 48 -3.792 4.764 6.359 1.00 0.00 C ATOM 717 CD GLU A 48 -4.289 5.308 7.700 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.918 4.705 8.730 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.029 6.315 7.665 1.00 0.00 O ATOM 0 H GLU A 48 -1.939 5.171 4.180 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.008 2.933 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.200 3.746 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.675 5.150 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.870 5.539 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.427 3.938 6.040 1.00 0.00 H new ATOM 726 N GLU A 49 -3.997 2.558 4.272 1.00 0.00 N ATOM 727 CA GLU A 49 -5.049 1.592 4.004 1.00 0.00 C ATOM 728 C GLU A 49 -4.484 0.388 3.248 1.00 0.00 C ATOM 729 O GLU A 49 -4.968 -0.731 3.405 1.00 0.00 O ATOM 730 CB GLU A 49 -6.200 2.236 3.228 1.00 0.00 C ATOM 731 CG GLU A 49 -6.921 3.280 4.083 1.00 0.00 C ATOM 732 CD GLU A 49 -8.421 2.988 4.156 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.990 2.671 3.089 1.00 0.00 O ATOM 734 OE2 GLU A 49 -8.965 3.088 5.277 1.00 0.00 O ATOM 0 H GLU A 49 -4.096 3.444 3.777 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.447 1.244 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.815 2.705 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.906 1.468 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.499 3.287 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.760 4.273 3.663 1.00 0.00 H new ATOM 741 N ALA A 50 -3.467 0.660 2.443 1.00 0.00 N ATOM 742 CA ALA A 50 -2.831 -0.387 1.662 1.00 0.00 C ATOM 743 C ALA A 50 -1.799 -1.110 2.531 1.00 0.00 C ATOM 744 O ALA A 50 -1.505 -2.283 2.305 1.00 0.00 O ATOM 745 CB ALA A 50 -2.209 0.221 0.403 1.00 0.00 C ATOM 0 H ALA A 50 -3.068 1.590 2.315 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.566 -1.125 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.732 -0.565 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.987 0.697 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.464 0.964 0.688 1.00 0.00 H new ATOM 751 N ARG A 51 -1.279 -0.380 3.506 1.00 0.00 N ATOM 752 CA ARG A 51 -0.286 -0.937 4.410 1.00 0.00 C ATOM 753 C ARG A 51 -0.851 -2.166 5.126 1.00 0.00 C ATOM 754 O ARG A 51 -0.140 -3.148 5.334 1.00 0.00 O ATOM 755 CB ARG A 51 0.151 0.095 5.451 1.00 0.00 C ATOM 756 CG ARG A 51 1.225 1.025 4.883 1.00 0.00 C ATOM 757 CD ARG A 51 2.423 1.122 5.830 1.00 0.00 C ATOM 758 NE ARG A 51 3.409 0.067 5.509 1.00 0.00 N ATOM 759 CZ ARG A 51 4.543 -0.135 6.194 1.00 0.00 C ATOM 760 NH1 ARG A 51 4.841 0.645 7.242 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.379 -1.118 5.831 1.00 0.00 N ATOM 0 H ARG A 51 -1.526 0.592 3.690 1.00 0.00 H new ATOM 0 HA ARG A 51 0.580 -1.225 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.710 0.681 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.536 -0.415 6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.554 0.656 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.804 2.017 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.888 2.104 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.090 1.018 6.863 1.00 0.00 H new ATOM 0 HE ARG A 51 3.214 -0.545 4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.205 1.393 7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.704 0.491 7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.152 -1.712 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.242 -1.272 6.352 1.00 0.00 H new ATOM 775 N GLU A 52 -2.123 -2.071 5.482 1.00 0.00 N ATOM 776 CA GLU A 52 -2.791 -3.163 6.170 1.00 0.00 C ATOM 777 C GLU A 52 -2.980 -4.350 5.224 1.00 0.00 C ATOM 778 O GLU A 52 -3.021 -5.498 5.663 1.00 0.00 O ATOM 779 CB GLU A 52 -4.131 -2.706 6.752 1.00 0.00 C ATOM 780 CG GLU A 52 -5.234 -2.757 5.693 1.00 0.00 C ATOM 781 CD GLU A 52 -6.358 -1.774 6.025 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.927 -1.915 7.129 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.623 -0.904 5.167 1.00 0.00 O ATOM 0 H GLU A 52 -2.709 -1.255 5.307 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.162 -3.483 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.401 -3.342 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.037 -1.690 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.815 -2.520 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.637 -3.768 5.630 1.00 0.00 H new ATOM 790 N LEU A 53 -3.091 -4.033 3.942 1.00 0.00 N ATOM 791 CA LEU A 53 -3.275 -5.059 2.930 1.00 0.00 C ATOM 792 C LEU A 53 -2.043 -5.966 2.901 1.00 0.00 C ATOM 793 O LEU A 53 -2.167 -7.189 2.953 1.00 0.00 O ATOM 794 CB LEU A 53 -3.604 -4.424 1.578 1.00 0.00 C ATOM 795 CG LEU A 53 -5.082 -4.414 1.184 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.458 -3.098 0.498 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.429 -5.629 0.321 1.00 0.00 C ATOM 0 H LEU A 53 -3.057 -3.080 3.581 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.130 -5.689 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.243 -3.395 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.046 -4.953 0.805 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.678 -4.485 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.514 -3.117 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.272 -2.267 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.856 -2.972 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.486 -5.597 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.826 -5.615 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.223 -6.542 0.879 1.00 0.00 H new ATOM 809 N LEU A 54 -0.883 -5.332 2.816 1.00 0.00 N ATOM 810 CA LEU A 54 0.370 -6.067 2.779 1.00 0.00 C ATOM 811 C LEU A 54 0.433 -7.020 3.974 1.00 0.00 C ATOM 812 O LEU A 54 0.974 -8.120 3.868 1.00 0.00 O ATOM 813 CB LEU A 54 1.555 -5.102 2.699 1.00 0.00 C ATOM 814 CG LEU A 54 1.740 -4.378 1.364 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.210 -4.383 0.937 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.829 -4.970 0.287 1.00 0.00 C ATOM 0 H LEU A 54 -0.784 -4.318 2.772 1.00 0.00 H new ATOM 0 HA LEU A 54 0.426 -6.679 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.442 -4.353 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.467 -5.658 2.918 1.00 0.00 H new ATOM 0 HG LEU A 54 1.446 -3.337 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.314 -3.862 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.811 -3.879 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.553 -5.412 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.981 -4.437 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.068 -6.024 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.212 -4.871 0.596 1.00 0.00 H new ATOM 828 N GLU A 55 -0.126 -6.563 5.085 1.00 0.00 N ATOM 829 CA GLU A 55 -0.140 -7.362 6.299 1.00 0.00 C ATOM 830 C GLU A 55 -0.950 -8.642 6.083 1.00 0.00 C ATOM 831 O GLU A 55 -0.416 -9.744 6.197 1.00 0.00 O ATOM 832 CB GLU A 55 -0.691 -6.557 7.478 1.00 0.00 C ATOM 833 CG GLU A 55 0.436 -5.847 8.231 1.00 0.00 C ATOM 834 CD GLU A 55 -0.120 -4.999 9.377 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.713 -3.943 9.065 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.060 -5.424 10.538 1.00 0.00 O ATOM 0 H GLU A 55 -0.572 -5.650 5.170 1.00 0.00 H new ATOM 0 HA GLU A 55 0.886 -7.641 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.411 -5.823 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.226 -7.220 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.136 -6.584 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.995 -5.213 7.543 1.00 0.00 H new ATOM 843 N GLN A 56 -2.225 -8.453 5.776 1.00 0.00 N ATOM 844 CA GLN A 56 -3.113 -9.579 5.543 1.00 0.00 C ATOM 845 C GLN A 56 -2.632 -10.395 4.341 1.00 0.00 C ATOM 846 O GLN A 56 -2.694 -11.623 4.355 1.00 0.00 O ATOM 847 CB GLN A 56 -4.555 -9.108 5.344 1.00 0.00 C ATOM 848 CG GLN A 56 -5.170 -8.652 6.669 1.00 0.00 C ATOM 849 CD GLN A 56 -6.122 -9.713 7.225 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.333 -9.610 7.129 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.507 -10.737 7.812 1.00 0.00 N ATOM 0 H GLN A 56 -2.664 -7.537 5.683 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.093 -10.220 6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.578 -8.288 4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.151 -9.917 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.379 -8.453 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.709 -7.716 6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.488 -10.762 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.054 -11.497 8.216 1.00 0.00 H new ATOM 860 N MET A 57 -2.164 -9.679 3.329 1.00 0.00 N ATOM 861 CA MET A 57 -1.673 -10.321 2.122 1.00 0.00 C ATOM 862 C MET A 57 -0.506 -11.260 2.436 1.00 0.00 C ATOM 863 O MET A 57 -0.508 -12.418 2.022 1.00 0.00 O ATOM 864 CB MET A 57 -1.215 -9.254 1.126 1.00 0.00 C ATOM 865 CG MET A 57 -2.393 -8.738 0.295 1.00 0.00 C ATOM 866 SD MET A 57 -1.813 -8.150 -1.287 1.00 0.00 S ATOM 867 CE MET A 57 -1.649 -6.409 -0.929 1.00 0.00 C ATOM 0 H MET A 57 -2.115 -8.660 3.320 1.00 0.00 H new ATOM 0 HA MET A 57 -2.483 -10.909 1.691 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.753 -8.425 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.454 -9.670 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.123 -9.534 0.151 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.900 -7.933 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.887 -5.975 -1.577 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.602 -5.910 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.357 -6.278 0.113 1.00 0.00 H new ATOM 877 N ASP A 58 0.463 -10.725 3.165 1.00 0.00 N ATOM 878 CA ASP A 58 1.633 -11.500 3.539 1.00 0.00 C ATOM 879 C ASP A 58 1.255 -12.482 4.650 1.00 0.00 C ATOM 880 O ASP A 58 1.955 -13.468 4.876 1.00 0.00 O ATOM 881 CB ASP A 58 2.748 -10.595 4.067 1.00 0.00 C ATOM 882 CG ASP A 58 4.165 -11.024 3.683 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.288 -12.125 3.104 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.094 -10.241 3.977 1.00 0.00 O ATOM 0 H ASP A 58 0.461 -9.764 3.506 1.00 0.00 H new ATOM 0 HA ASP A 58 1.986 -12.027 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.579 -9.583 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.679 -10.555 5.154 1.00 0.00 H new ATOM 889 N LEU A 59 0.150 -12.178 5.314 1.00 0.00 N ATOM 890 CA LEU A 59 -0.329 -13.021 6.396 1.00 0.00 C ATOM 891 C LEU A 59 -1.380 -13.992 5.853 1.00 0.00 C ATOM 892 O LEU A 59 -1.994 -14.736 6.615 1.00 0.00 O ATOM 893 CB LEU A 59 -0.828 -12.165 7.562 1.00 0.00 C ATOM 894 CG LEU A 59 0.248 -11.420 8.355 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.341 -10.199 9.065 1.00 0.00 C ATOM 896 CD2 LEU A 59 0.961 -12.360 9.329 1.00 0.00 C ATOM 0 H LEU A 59 -0.428 -11.359 5.124 1.00 0.00 H new ATOM 0 HA LEU A 59 0.485 -13.623 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.536 -11.434 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.378 -12.808 8.249 1.00 0.00 H new ATOM 0 HG LEU A 59 0.998 -11.054 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.445 -9.687 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.765 -9.518 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.123 -10.520 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.721 -11.805 9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.237 -12.776 10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.434 -13.169 8.773 1.00 0.00 H new ATOM 908 N GLU A 60 -1.553 -13.953 4.540 1.00 0.00 N ATOM 909 CA GLU A 60 -2.518 -14.820 3.887 1.00 0.00 C ATOM 910 C GLU A 60 -1.807 -15.783 2.933 1.00 0.00 C ATOM 911 O GLU A 60 -2.139 -16.966 2.878 1.00 0.00 O ATOM 912 CB GLU A 60 -3.579 -14.002 3.149 1.00 0.00 C ATOM 913 CG GLU A 60 -4.582 -13.392 4.130 1.00 0.00 C ATOM 914 CD GLU A 60 -5.875 -14.209 4.171 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.769 -15.425 4.439 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.940 -13.599 3.934 1.00 0.00 O ATOM 0 H GLU A 60 -1.041 -13.334 3.911 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.026 -15.407 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.098 -13.210 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.103 -14.639 2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.142 -13.350 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.805 -12.366 3.837 1.00 0.00 H new ATOM 923 N VAL A 61 -0.841 -15.239 2.207 1.00 0.00 N ATOM 924 CA VAL A 61 -0.080 -16.035 1.259 1.00 0.00 C ATOM 925 C VAL A 61 0.357 -17.339 1.929 1.00 0.00 C ATOM 926 O VAL A 61 0.561 -18.349 1.256 1.00 0.00 O ATOM 927 CB VAL A 61 1.095 -15.219 0.715 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.295 -16.119 0.415 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.683 -14.423 -0.525 1.00 0.00 C ATOM 0 H VAL A 61 -0.568 -14.257 2.256 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.698 -16.302 0.402 1.00 0.00 H new ATOM 0 HB VAL A 61 1.394 -14.508 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.116 -15.514 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.612 -16.620 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.014 -16.865 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.536 -13.852 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.345 -15.109 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.126 -13.740 -0.267 1.00 0.00 H new ATOM 939 N ARG A 62 0.488 -17.275 3.246 1.00 0.00 N ATOM 940 CA ARG A 62 0.897 -18.439 4.014 1.00 0.00 C ATOM 941 C ARG A 62 -0.129 -19.563 3.862 1.00 0.00 C ATOM 942 O ARG A 62 0.234 -20.737 3.814 1.00 0.00 O ATOM 943 CB ARG A 62 1.049 -18.094 5.497 1.00 0.00 C ATOM 944 CG ARG A 62 2.257 -17.183 5.727 1.00 0.00 C ATOM 945 CD ARG A 62 2.637 -17.141 7.209 1.00 0.00 C ATOM 946 NE ARG A 62 3.980 -17.731 7.404 1.00 0.00 N ATOM 947 CZ ARG A 62 4.705 -17.595 8.522 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.221 -16.888 9.553 1.00 0.00 N ATOM 949 NH2 ARG A 62 5.915 -18.165 8.610 1.00 0.00 N ATOM 0 H ARG A 62 0.318 -16.436 3.800 1.00 0.00 H new ATOM 0 HA ARG A 62 1.862 -18.769 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.144 -17.602 5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.164 -19.010 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.104 -17.540 5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.030 -16.176 5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.628 -16.111 7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.901 -17.689 7.797 1.00 0.00 H new ATOM 0 HE ARG A 62 4.379 -18.275 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.301 -16.454 9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.773 -16.785 10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.284 -18.702 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.467 -18.061 9.461 1.00 0.00 H new ATOM 963 N GLU A 63 -1.391 -19.164 3.790 1.00 0.00 N ATOM 964 CA GLU A 63 -2.472 -20.124 3.644 1.00 0.00 C ATOM 965 C GLU A 63 -2.516 -20.660 2.212 1.00 0.00 C ATOM 966 O GLU A 63 -2.725 -21.853 1.998 1.00 0.00 O ATOM 967 CB GLU A 63 -3.813 -19.503 4.038 1.00 0.00 C ATOM 968 CG GLU A 63 -3.995 -19.510 5.558 1.00 0.00 C ATOM 969 CD GLU A 63 -4.356 -20.910 6.060 1.00 0.00 C ATOM 970 OE1 GLU A 63 -3.444 -21.764 6.061 1.00 0.00 O ATOM 971 OE2 GLU A 63 -5.535 -21.093 6.431 1.00 0.00 O ATOM 0 H GLU A 63 -1.689 -18.189 3.830 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.283 -20.959 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.867 -18.480 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.626 -20.056 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.077 -19.172 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.779 -18.806 5.837 1.00 0.00 H new ATOM 978 N ILE A 64 -2.315 -19.752 1.268 1.00 0.00 N ATOM 979 CA ILE A 64 -2.329 -20.119 -0.138 1.00 0.00 C ATOM 980 C ILE A 64 -1.620 -21.463 -0.317 1.00 0.00 C ATOM 981 O ILE A 64 -0.628 -21.740 0.355 1.00 0.00 O ATOM 982 CB ILE A 64 -1.740 -18.994 -0.991 1.00 0.00 C ATOM 983 CG1 ILE A 64 -2.607 -17.736 -0.915 1.00 0.00 C ATOM 984 CG2 ILE A 64 -1.525 -19.456 -2.434 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.304 -16.790 -2.078 1.00 0.00 C ATOM 0 H ILE A 64 -2.142 -18.763 1.449 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.353 -20.250 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.762 -18.735 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.661 -18.015 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.429 -17.224 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.106 -18.638 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.837 -20.301 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.479 -19.759 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.934 -15.904 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.256 -16.494 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.506 -17.297 -3.022 1.00 0.00 H new ATOM 997 N PRO A 65 -2.171 -22.284 -1.251 1.00 0.00 N ATOM 998 CA PRO A 65 -1.602 -23.592 -1.527 1.00 0.00 C ATOM 999 C PRO A 65 -0.315 -23.469 -2.345 1.00 0.00 C ATOM 1000 O PRO A 65 -0.051 -22.425 -2.939 1.00 0.00 O ATOM 1001 CB PRO A 65 -2.698 -24.352 -2.256 1.00 0.00 C ATOM 1002 CG PRO A 65 -3.665 -23.298 -2.771 1.00 0.00 C ATOM 1003 CD PRO A 65 -3.346 -21.989 -2.066 1.00 0.00 C ATOM 0 HA PRO A 65 -1.304 -24.120 -0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.286 -24.939 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.201 -25.050 -1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.566 -23.184 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.695 -23.596 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.142 -21.193 -2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.182 -21.657 -1.450 1.00 0.00 H new ATOM 1011 N PRO A 66 0.472 -24.578 -2.350 1.00 0.00 N ATOM 1012 CA PRO A 66 1.725 -24.604 -3.085 1.00 0.00 C ATOM 1013 C PRO A 66 1.475 -24.733 -4.589 1.00 0.00 C ATOM 1014 O PRO A 66 2.419 -24.793 -5.375 1.00 0.00 O ATOM 1015 CB PRO A 66 2.495 -25.780 -2.508 1.00 0.00 C ATOM 1016 CG PRO A 66 1.465 -26.647 -1.802 1.00 0.00 C ATOM 1017 CD PRO A 66 0.190 -25.832 -1.657 1.00 0.00 C ATOM 0 HA PRO A 66 2.295 -23.681 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.002 -26.338 -3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.263 -25.441 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.274 -27.555 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.833 -26.957 -0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.662 -26.347 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.053 -25.659 -0.608 1.00 0.00 H new ATOM 1025 N GLN A 67 0.199 -24.771 -4.944 1.00 0.00 N ATOM 1026 CA GLN A 67 -0.186 -24.891 -6.339 1.00 0.00 C ATOM 1027 C GLN A 67 -0.568 -23.522 -6.905 1.00 0.00 C ATOM 1028 O GLN A 67 -0.394 -23.267 -8.095 1.00 0.00 O ATOM 1029 CB GLN A 67 -1.331 -25.892 -6.508 1.00 0.00 C ATOM 1030 CG GLN A 67 -0.860 -27.143 -7.253 1.00 0.00 C ATOM 1031 CD GLN A 67 -1.899 -28.262 -7.157 1.00 0.00 C ATOM 1032 OE1 GLN A 67 -2.754 -28.426 -8.013 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -1.778 -29.020 -6.072 1.00 0.00 N ATOM 0 H GLN A 67 -0.581 -24.721 -4.289 1.00 0.00 H new ATOM 0 HA GLN A 67 0.669 -25.268 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.721 -26.172 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.149 -25.425 -7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.678 -26.900 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.087 -27.484 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.039 -28.828 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.424 -29.794 -5.916 1.00 0.00 H new ATOM 1042 N SER A 68 -1.082 -22.676 -6.024 1.00 0.00 N ATOM 1043 CA SER A 68 -1.490 -21.339 -6.420 1.00 0.00 C ATOM 1044 C SER A 68 -0.359 -20.345 -6.149 1.00 0.00 C ATOM 1045 O SER A 68 -0.223 -19.346 -6.855 1.00 0.00 O ATOM 1046 CB SER A 68 -2.761 -20.910 -5.684 1.00 0.00 C ATOM 1047 OG SER A 68 -3.368 -19.769 -6.286 1.00 0.00 O ATOM 0 H SER A 68 -1.225 -22.891 -5.037 1.00 0.00 H new ATOM 0 HA SER A 68 -1.707 -21.350 -7.488 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.472 -21.737 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.520 -20.686 -4.645 1.00 0.00 H new ATOM 0 HG SER A 68 -4.177 -19.528 -5.788 1.00 0.00 H new ATOM 1053 N ARG A 69 0.424 -20.652 -5.126 1.00 0.00 N ATOM 1054 CA ARG A 69 1.538 -19.798 -4.753 1.00 0.00 C ATOM 1055 C ARG A 69 2.556 -19.726 -5.893 1.00 0.00 C ATOM 1056 O ARG A 69 2.330 -20.280 -6.968 1.00 0.00 O ATOM 1057 CB ARG A 69 2.232 -20.317 -3.492 1.00 0.00 C ATOM 1058 CG ARG A 69 2.114 -19.308 -2.347 1.00 0.00 C ATOM 1059 CD ARG A 69 3.192 -19.552 -1.289 1.00 0.00 C ATOM 1060 NE ARG A 69 4.447 -18.871 -1.678 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.660 -19.211 -1.222 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.789 -20.227 -0.357 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.743 -18.537 -1.630 1.00 0.00 N ATOM 0 H ARG A 69 0.309 -21.481 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 69 1.140 -18.803 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.788 -21.266 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.283 -20.510 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.207 -18.295 -2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.127 -19.384 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.853 -19.183 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.369 -20.622 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 69 4.385 -18.093 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.964 -20.740 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.712 -20.487 -0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.645 -17.764 -2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.666 -18.796 -1.282 1.00 0.00 H new ATOM 1077 N GLY A 70 3.655 -19.038 -5.620 1.00 0.00 N ATOM 1078 CA GLY A 70 4.708 -18.886 -6.610 1.00 0.00 C ATOM 1079 C GLY A 70 4.846 -17.426 -7.044 1.00 0.00 C ATOM 1080 O GLY A 70 5.748 -16.722 -6.591 1.00 0.00 O ATOM 0 H GLY A 70 3.839 -18.580 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.654 -19.237 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.489 -19.508 -7.478 1.00 0.00 H new ATOM 1084 N MET A 71 3.938 -17.013 -7.917 1.00 0.00 N ATOM 1085 CA MET A 71 3.948 -15.649 -8.417 1.00 0.00 C ATOM 1086 C MET A 71 3.713 -14.648 -7.284 1.00 0.00 C ATOM 1087 O MET A 71 4.459 -13.680 -7.142 1.00 0.00 O ATOM 1088 CB MET A 71 2.856 -15.486 -9.476 1.00 0.00 C ATOM 1089 CG MET A 71 3.418 -14.854 -10.751 1.00 0.00 C ATOM 1090 SD MET A 71 2.609 -13.295 -11.068 1.00 0.00 S ATOM 1091 CE MET A 71 1.561 -13.761 -12.435 1.00 0.00 C ATOM 0 H MET A 71 3.191 -17.599 -8.290 1.00 0.00 H new ATOM 0 HA MET A 71 4.926 -15.450 -8.856 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.422 -16.459 -9.709 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.052 -14.864 -9.082 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.492 -14.701 -10.648 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.271 -15.527 -11.596 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.981 -12.897 -12.760 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.177 -14.116 -13.261 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.884 -14.555 -12.120 1.00 0.00 H new ATOM 1101 N TYR A 72 2.674 -14.915 -6.507 1.00 0.00 N ATOM 1102 CA TYR A 72 2.332 -14.049 -5.391 1.00 0.00 C ATOM 1103 C TYR A 72 3.590 -13.565 -4.667 1.00 0.00 C ATOM 1104 O TYR A 72 3.690 -12.394 -4.305 1.00 0.00 O ATOM 1105 CB TYR A 72 1.505 -14.906 -4.431 1.00 0.00 C ATOM 1106 CG TYR A 72 0.477 -14.115 -3.619 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.879 -13.031 -2.866 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.852 -14.486 -3.641 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.089 -12.287 -2.102 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.820 -13.741 -2.877 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.390 -12.679 -2.145 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.304 -11.975 -1.424 1.00 0.00 O ATOM 0 H TYR A 72 2.058 -15.719 -6.628 1.00 0.00 H new ATOM 0 HA TYR A 72 1.791 -13.170 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.987 -15.676 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.179 -15.418 -3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.919 -12.741 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.166 -15.334 -4.231 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.212 -11.437 -1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.863 -14.020 -2.886 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.193 -12.367 -1.550 1.00 0.00 H new ATOM 1122 N SER A 73 4.520 -14.490 -4.479 1.00 0.00 N ATOM 1123 CA SER A 73 5.767 -14.172 -3.806 1.00 0.00 C ATOM 1124 C SER A 73 6.593 -13.209 -4.661 1.00 0.00 C ATOM 1125 O SER A 73 6.978 -12.136 -4.198 1.00 0.00 O ATOM 1126 CB SER A 73 6.571 -15.439 -3.508 1.00 0.00 C ATOM 1127 OG SER A 73 7.564 -15.219 -2.510 1.00 0.00 O ATOM 0 H SER A 73 4.434 -15.460 -4.781 1.00 0.00 H new ATOM 0 HA SER A 73 5.530 -13.693 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.895 -16.228 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.048 -15.789 -4.423 1.00 0.00 H new ATOM 0 HG SER A 73 8.054 -16.052 -2.347 1.00 0.00 H new ATOM 1133 N ASN A 74 6.840 -13.626 -5.894 1.00 0.00 N ATOM 1134 CA ASN A 74 7.612 -12.813 -6.818 1.00 0.00 C ATOM 1135 C ASN A 74 7.019 -11.404 -6.871 1.00 0.00 C ATOM 1136 O ASN A 74 7.710 -10.449 -7.223 1.00 0.00 O ATOM 1137 CB ASN A 74 7.570 -13.397 -8.232 1.00 0.00 C ATOM 1138 CG ASN A 74 8.177 -12.423 -9.245 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.049 -11.629 -8.936 1.00 0.00 O ATOM 1140 ND2 ASN A 74 7.667 -12.529 -10.469 1.00 0.00 N ATOM 0 H ASN A 74 6.519 -14.516 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 74 8.644 -12.791 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.116 -14.340 -8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.539 -13.618 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.005 -11.923 -11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.938 -13.216 -10.660 1.00 0.00 H new ATOM 1147 N ARG A 75 5.746 -11.319 -6.515 1.00 0.00 N ATOM 1148 CA ARG A 75 5.052 -10.042 -6.516 1.00 0.00 C ATOM 1149 C ARG A 75 5.187 -9.363 -5.152 1.00 0.00 C ATOM 1150 O ARG A 75 5.373 -8.149 -5.075 1.00 0.00 O ATOM 1151 CB ARG A 75 3.569 -10.222 -6.844 1.00 0.00 C ATOM 1152 CG ARG A 75 3.300 -9.968 -8.329 1.00 0.00 C ATOM 1153 CD ARG A 75 1.835 -10.242 -8.676 1.00 0.00 C ATOM 1154 NE ARG A 75 1.369 -9.278 -9.698 1.00 0.00 N ATOM 1155 CZ ARG A 75 0.192 -9.367 -10.332 1.00 0.00 C ATOM 1156 NH1 ARG A 75 -0.645 -10.375 -10.054 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -0.148 -8.447 -11.246 1.00 0.00 N ATOM 0 H ARG A 75 5.177 -12.114 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 75 5.509 -9.417 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.255 -11.232 -6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.974 -9.537 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.549 -8.936 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.946 -10.605 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.725 -11.261 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.219 -10.161 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 75 1.982 -8.498 -9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.387 -11.076 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.541 -10.442 -10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.489 -7.680 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.044 -8.515 -11.729 1.00 0.00 H new ATOM 1171 N MET A 76 5.088 -10.175 -4.110 1.00 0.00 N ATOM 1172 CA MET A 76 5.197 -9.667 -2.753 1.00 0.00 C ATOM 1173 C MET A 76 6.413 -8.750 -2.607 1.00 0.00 C ATOM 1174 O MET A 76 6.368 -7.767 -1.868 1.00 0.00 O ATOM 1175 CB MET A 76 5.322 -10.839 -1.778 1.00 0.00 C ATOM 1176 CG MET A 76 3.943 -11.368 -1.377 1.00 0.00 C ATOM 1177 SD MET A 76 3.690 -11.149 0.376 1.00 0.00 S ATOM 1178 CE MET A 76 2.222 -10.135 0.353 1.00 0.00 C ATOM 0 H MET A 76 4.934 -11.181 -4.178 1.00 0.00 H new ATOM 0 HA MET A 76 4.300 -9.089 -2.528 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.903 -11.639 -2.238 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.866 -10.521 -0.889 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.167 -10.842 -1.933 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.860 -12.424 -1.635 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.104 -9.643 1.319 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.312 -9.381 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.351 -10.760 0.156 1.00 0.00 H new ATOM 1188 N ARG A 77 7.471 -9.104 -3.322 1.00 0.00 N ATOM 1189 CA ARG A 77 8.697 -8.324 -3.281 1.00 0.00 C ATOM 1190 C ARG A 77 8.510 -7.002 -4.027 1.00 0.00 C ATOM 1191 O ARG A 77 8.840 -5.938 -3.505 1.00 0.00 O ATOM 1192 CB ARG A 77 9.861 -9.096 -3.906 1.00 0.00 C ATOM 1193 CG ARG A 77 10.584 -9.943 -2.857 1.00 0.00 C ATOM 1194 CD ARG A 77 11.819 -9.216 -2.322 1.00 0.00 C ATOM 1195 NE ARG A 77 13.009 -10.089 -2.436 1.00 0.00 N ATOM 1196 CZ ARG A 77 14.144 -9.906 -1.748 1.00 0.00 C ATOM 1197 NH1 ARG A 77 14.250 -8.880 -0.892 1.00 0.00 N ATOM 1198 NH2 ARG A 77 15.172 -10.748 -1.915 1.00 0.00 N ATOM 0 H ARG A 77 7.505 -9.920 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 77 8.929 -8.124 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.489 -9.739 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.563 -8.397 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.905 -10.167 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.880 -10.896 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.979 -8.294 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.663 -8.934 -1.281 1.00 0.00 H new ATOM 0 HE ARG A 77 12.962 -10.880 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.467 -8.239 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.114 -8.740 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 77 15.091 -11.529 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.036 -10.608 -1.391 1.00 0.00 H new ATOM 1212 N SER A 78 7.982 -7.112 -5.238 1.00 0.00 N ATOM 1213 CA SER A 78 7.748 -5.938 -6.061 1.00 0.00 C ATOM 1214 C SER A 78 6.771 -4.993 -5.359 1.00 0.00 C ATOM 1215 O SER A 78 7.015 -3.790 -5.280 1.00 0.00 O ATOM 1216 CB SER A 78 7.210 -6.330 -7.439 1.00 0.00 C ATOM 1217 OG SER A 78 8.057 -5.877 -8.492 1.00 0.00 O ATOM 0 H SER A 78 7.710 -7.996 -5.668 1.00 0.00 H new ATOM 0 HA SER A 78 8.699 -5.426 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.111 -7.414 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.212 -5.912 -7.571 1.00 0.00 H new ATOM 0 HG SER A 78 7.680 -6.149 -9.355 1.00 0.00 H new ATOM 1223 N TYR A 79 5.686 -5.573 -4.868 1.00 0.00 N ATOM 1224 CA TYR A 79 4.671 -4.797 -4.176 1.00 0.00 C ATOM 1225 C TYR A 79 5.308 -3.824 -3.182 1.00 0.00 C ATOM 1226 O TYR A 79 5.235 -2.609 -3.363 1.00 0.00 O ATOM 1227 CB TYR A 79 3.820 -5.809 -3.406 1.00 0.00 C ATOM 1228 CG TYR A 79 2.709 -6.450 -4.240 1.00 0.00 C ATOM 1229 CD1 TYR A 79 2.725 -6.336 -5.615 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.692 -7.144 -3.617 1.00 0.00 C ATOM 1231 CE1 TYR A 79 1.680 -6.940 -6.400 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.647 -7.748 -4.402 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.692 -7.616 -5.755 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.295 -8.187 -6.497 1.00 0.00 O ATOM 0 H TYR A 79 5.487 -6.571 -4.936 1.00 0.00 H new ATOM 0 HA TYR A 79 4.086 -4.211 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.469 -6.595 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.373 -5.312 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.522 -5.794 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.680 -7.234 -2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.681 -6.858 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.155 -8.294 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.204 -9.162 -6.467 1.00 0.00 H new ATOM 1244 N LYS A 80 5.919 -4.393 -2.154 1.00 0.00 N ATOM 1245 CA LYS A 80 6.569 -3.591 -1.131 1.00 0.00 C ATOM 1246 C LYS A 80 7.380 -2.479 -1.800 1.00 0.00 C ATOM 1247 O LYS A 80 7.142 -1.298 -1.554 1.00 0.00 O ATOM 1248 CB LYS A 80 7.395 -4.478 -0.198 1.00 0.00 C ATOM 1249 CG LYS A 80 6.687 -4.670 1.145 1.00 0.00 C ATOM 1250 CD LYS A 80 6.765 -6.129 1.602 1.00 0.00 C ATOM 1251 CE LYS A 80 5.652 -6.963 0.964 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.984 -8.404 1.026 1.00 0.00 N ATOM 0 H LYS A 80 5.978 -5.401 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 80 5.826 -3.107 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.563 -5.448 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.375 -4.028 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.143 -4.025 1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.643 -4.368 1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.736 -6.546 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.685 -6.179 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.710 -6.778 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.512 -6.660 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.121 -8.951 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.389 -8.706 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.676 -8.569 1.785 1.00 0.00 H new ATOM 1266 N GLN A 81 8.322 -2.897 -2.633 1.00 0.00 N ATOM 1267 CA GLN A 81 9.170 -1.952 -3.339 1.00 0.00 C ATOM 1268 C GLN A 81 8.338 -0.776 -3.856 1.00 0.00 C ATOM 1269 O GLN A 81 8.728 0.380 -3.701 1.00 0.00 O ATOM 1270 CB GLN A 81 9.920 -2.636 -4.483 1.00 0.00 C ATOM 1271 CG GLN A 81 11.176 -3.343 -3.969 1.00 0.00 C ATOM 1272 CD GLN A 81 12.138 -2.348 -3.318 1.00 0.00 C ATOM 1273 OE1 GLN A 81 12.150 -2.154 -2.113 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.941 -1.729 -4.179 1.00 0.00 N ATOM 0 H GLN A 81 8.517 -3.878 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 81 9.913 -1.568 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.266 -3.358 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.196 -1.897 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.896 -4.109 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.676 -3.850 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.879 -1.938 -5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.619 -1.045 -3.843 1.00 0.00 H new ATOM 1283 N GLU A 82 7.207 -1.112 -4.459 1.00 0.00 N ATOM 1284 CA GLU A 82 6.317 -0.098 -4.999 1.00 0.00 C ATOM 1285 C GLU A 82 5.710 0.733 -3.866 1.00 0.00 C ATOM 1286 O GLU A 82 5.895 1.948 -3.816 1.00 0.00 O ATOM 1287 CB GLU A 82 5.223 -0.732 -5.860 1.00 0.00 C ATOM 1288 CG GLU A 82 4.261 0.331 -6.394 1.00 0.00 C ATOM 1289 CD GLU A 82 4.599 0.700 -7.840 1.00 0.00 C ATOM 1290 OE1 GLU A 82 5.543 1.500 -8.016 1.00 0.00 O ATOM 1291 OE2 GLU A 82 3.905 0.173 -8.737 1.00 0.00 O ATOM 0 H GLU A 82 6.887 -2.072 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 82 6.899 0.565 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.676 -1.269 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.671 -1.465 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.237 -0.039 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.312 1.221 -5.766 1.00 0.00 H new ATOM 1298 N MET A 83 4.999 0.045 -2.986 1.00 0.00 N ATOM 1299 CA MET A 83 4.364 0.705 -1.857 1.00 0.00 C ATOM 1300 C MET A 83 5.355 1.611 -1.124 1.00 0.00 C ATOM 1301 O MET A 83 5.201 2.831 -1.120 1.00 0.00 O ATOM 1302 CB MET A 83 3.821 -0.349 -0.889 1.00 0.00 C ATOM 1303 CG MET A 83 2.297 -0.265 -0.786 1.00 0.00 C ATOM 1304 SD MET A 83 1.800 1.414 -0.437 1.00 0.00 S ATOM 1305 CE MET A 83 2.236 1.513 1.291 1.00 0.00 C ATOM 0 H MET A 83 4.848 -0.963 -3.031 1.00 0.00 H new ATOM 0 HA MET A 83 3.547 1.321 -2.232 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.112 -1.343 -1.228 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.264 -0.206 0.096 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.842 -0.601 -1.718 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.940 -0.930 0.001 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.397 1.920 1.855 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.474 0.517 1.664 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.103 2.162 1.411 1.00 0.00 H new ATOM 1315 N GLY A 84 6.350 0.978 -0.519 1.00 0.00 N ATOM 1316 CA GLY A 84 7.366 1.712 0.216 1.00 0.00 C ATOM 1317 C GLY A 84 7.863 2.915 -0.587 1.00 0.00 C ATOM 1318 O GLY A 84 8.197 3.952 -0.016 1.00 0.00 O ATOM 0 H GLY A 84 6.474 -0.034 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.958 2.050 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.203 1.052 0.444 1.00 0.00 H new ATOM 1322 N LYS A 85 7.895 2.738 -1.900 1.00 0.00 N ATOM 1323 CA LYS A 85 8.346 3.796 -2.787 1.00 0.00 C ATOM 1324 C LYS A 85 7.282 4.894 -2.845 1.00 0.00 C ATOM 1325 O LYS A 85 7.608 6.080 -2.837 1.00 0.00 O ATOM 1326 CB LYS A 85 8.715 3.225 -4.158 1.00 0.00 C ATOM 1327 CG LYS A 85 9.081 4.342 -5.137 1.00 0.00 C ATOM 1328 CD LYS A 85 9.912 3.801 -6.302 1.00 0.00 C ATOM 1329 CE LYS A 85 9.022 3.108 -7.335 1.00 0.00 C ATOM 1330 NZ LYS A 85 9.847 2.464 -8.382 1.00 0.00 N ATOM 0 H LYS A 85 7.616 1.877 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 85 9.257 4.254 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.554 2.537 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.878 2.650 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.172 4.807 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.641 5.118 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.456 4.618 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.656 3.098 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.399 2.361 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.349 3.835 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.227 1.998 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.423 3.185 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.471 1.756 -7.945 1.00 0.00 H new ATOM 1344 N LEU A 86 6.032 4.460 -2.902 1.00 0.00 N ATOM 1345 CA LEU A 86 4.918 5.392 -2.961 1.00 0.00 C ATOM 1346 C LEU A 86 5.020 6.377 -1.795 1.00 0.00 C ATOM 1347 O LEU A 86 4.505 7.491 -1.872 1.00 0.00 O ATOM 1348 CB LEU A 86 3.589 4.635 -3.012 1.00 0.00 C ATOM 1349 CG LEU A 86 3.037 4.344 -4.409 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.323 2.991 -4.445 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.133 5.481 -4.889 1.00 0.00 C ATOM 0 H LEU A 86 5.765 3.476 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 86 4.960 5.979 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.713 3.688 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.845 5.210 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 86 3.876 4.285 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.940 2.808 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.025 2.202 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.495 2.998 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.754 5.249 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.296 5.596 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.704 6.409 -4.925 1.00 0.00 H new ATOM 1363 N GLU A 87 5.688 5.930 -0.741 1.00 0.00 N ATOM 1364 CA GLU A 87 5.865 6.758 0.439 1.00 0.00 C ATOM 1365 C GLU A 87 6.857 7.887 0.152 1.00 0.00 C ATOM 1366 O GLU A 87 6.658 9.020 0.588 1.00 0.00 O ATOM 1367 CB GLU A 87 6.319 5.919 1.635 1.00 0.00 C ATOM 1368 CG GLU A 87 5.144 5.604 2.562 1.00 0.00 C ATOM 1369 CD GLU A 87 5.495 5.917 4.018 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.337 7.097 4.400 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.915 4.970 4.717 1.00 0.00 O ATOM 0 H GLU A 87 6.113 5.005 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 87 4.903 7.203 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.768 4.990 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.090 6.456 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.273 6.186 2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.873 4.552 2.467 1.00 0.00 H new ATOM 1378 N THR A 88 7.905 7.538 -0.579 1.00 0.00 N ATOM 1379 CA THR A 88 8.930 8.508 -0.929 1.00 0.00 C ATOM 1380 C THR A 88 8.404 9.480 -1.987 1.00 0.00 C ATOM 1381 O THR A 88 8.217 10.664 -1.710 1.00 0.00 O ATOM 1382 CB THR A 88 10.175 7.740 -1.375 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.826 7.396 -0.155 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.186 8.632 -2.098 1.00 0.00 C ATOM 0 H THR A 88 8.067 6.597 -0.939 1.00 0.00 H new ATOM 0 HA THR A 88 9.201 9.125 -0.072 1.00 0.00 H new ATOM 0 HB THR A 88 9.880 6.921 -2.031 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.644 6.893 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.050 8.037 -2.393 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.722 9.063 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.507 9.433 -1.432 1.00 0.00 H new ATOM 1392 N ASP A 89 8.181 8.944 -3.178 1.00 0.00 N ATOM 1393 CA ASP A 89 7.680 9.749 -4.280 1.00 0.00 C ATOM 1394 C ASP A 89 6.580 10.680 -3.766 1.00 0.00 C ATOM 1395 O ASP A 89 6.500 11.837 -4.176 1.00 0.00 O ATOM 1396 CB ASP A 89 7.081 8.869 -5.378 1.00 0.00 C ATOM 1397 CG ASP A 89 7.997 8.617 -6.577 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.848 9.496 -6.836 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.827 7.551 -7.207 1.00 0.00 O ATOM 0 H ASP A 89 8.338 7.962 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 89 8.515 10.317 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.805 7.909 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.161 9.334 -5.734 1.00 0.00 H new ATOM 1404 N PHE A 90 5.759 10.140 -2.877 1.00 0.00 N ATOM 1405 CA PHE A 90 4.667 10.907 -2.304 1.00 0.00 C ATOM 1406 C PHE A 90 5.191 12.147 -1.576 1.00 0.00 C ATOM 1407 O PHE A 90 4.703 13.254 -1.799 1.00 0.00 O ATOM 1408 CB PHE A 90 3.962 9.998 -1.295 1.00 0.00 C ATOM 1409 CG PHE A 90 3.157 10.751 -0.235 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.595 11.953 -0.535 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.002 10.219 1.007 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.846 12.652 0.449 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.254 10.918 1.991 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.692 12.120 1.691 1.00 0.00 C ATOM 0 H PHE A 90 5.829 9.180 -2.540 1.00 0.00 H new ATOM 0 HA PHE A 90 3.992 11.239 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.295 9.325 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.708 9.378 -0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.718 12.376 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.448 9.265 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.399 13.606 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.131 10.495 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.123 12.652 2.439 1.00 0.00 H new ATOM 1424 N LYS A 91 6.177 11.919 -0.721 1.00 0.00 N ATOM 1425 CA LYS A 91 6.772 13.004 0.041 1.00 0.00 C ATOM 1426 C LYS A 91 7.597 13.888 -0.897 1.00 0.00 C ATOM 1427 O LYS A 91 7.784 15.074 -0.632 1.00 0.00 O ATOM 1428 CB LYS A 91 7.569 12.452 1.225 1.00 0.00 C ATOM 1429 CG LYS A 91 9.052 12.320 0.874 1.00 0.00 C ATOM 1430 CD LYS A 91 9.868 11.891 2.095 1.00 0.00 C ATOM 1431 CE LYS A 91 10.707 13.053 2.629 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.145 12.820 2.364 1.00 0.00 N ATOM 0 H LYS A 91 6.579 10.999 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 91 5.996 13.635 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.453 13.111 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.172 11.479 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.177 11.590 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.427 13.272 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.198 11.532 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.520 11.060 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.391 13.984 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.542 13.166 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.700 13.618 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.447 11.942 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.300 12.735 1.339 1.00 0.00 H new ATOM 1446 N ARG A 92 8.067 13.275 -1.973 1.00 0.00 N ATOM 1447 CA ARG A 92 8.867 13.992 -2.952 1.00 0.00 C ATOM 1448 C ARG A 92 7.962 14.715 -3.951 1.00 0.00 C ATOM 1449 O ARG A 92 8.446 15.404 -4.847 1.00 0.00 O ATOM 1450 CB ARG A 92 9.793 13.039 -3.711 1.00 0.00 C ATOM 1451 CG ARG A 92 11.215 13.092 -3.149 1.00 0.00 C ATOM 1452 CD ARG A 92 12.177 12.273 -4.012 1.00 0.00 C ATOM 1453 NE ARG A 92 12.840 13.150 -5.003 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.685 12.712 -5.947 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.975 11.407 -6.033 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.239 13.580 -6.804 1.00 0.00 N ATOM 0 H ARG A 92 7.910 12.291 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 92 9.474 14.720 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.409 12.021 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.806 13.304 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.553 14.127 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.221 12.709 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.925 11.793 -3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.633 11.479 -4.523 1.00 0.00 H new ATOM 0 HE ARG A 92 12.642 14.150 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.553 10.747 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.618 11.074 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.018 14.574 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.882 13.247 -7.522 1.00 0.00 H new ATOM 1470 N SER A 93 6.663 14.533 -3.763 1.00 0.00 N ATOM 1471 CA SER A 93 5.685 15.160 -4.636 1.00 0.00 C ATOM 1472 C SER A 93 5.119 16.416 -3.971 1.00 0.00 C ATOM 1473 O SER A 93 4.809 17.395 -4.648 1.00 0.00 O ATOM 1474 CB SER A 93 4.556 14.189 -4.986 1.00 0.00 C ATOM 1475 OG SER A 93 3.343 14.517 -4.314 1.00 0.00 O ATOM 0 H SER A 93 6.265 13.960 -3.019 1.00 0.00 H new ATOM 0 HA SER A 93 6.185 15.442 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.389 14.201 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.855 13.175 -4.721 1.00 0.00 H new ATOM 0 HG SER A 93 3.389 14.206 -3.386 1.00 0.00 H new ATOM 1481 N ARG A 94 4.999 16.346 -2.653 1.00 0.00 N ATOM 1482 CA ARG A 94 4.475 17.465 -1.889 1.00 0.00 C ATOM 1483 C ARG A 94 5.539 18.555 -1.746 1.00 0.00 C ATOM 1484 O ARG A 94 5.212 19.724 -1.545 1.00 0.00 O ATOM 1485 CB ARG A 94 4.022 17.018 -0.498 1.00 0.00 C ATOM 1486 CG ARG A 94 5.047 16.075 0.135 1.00 0.00 C ATOM 1487 CD ARG A 94 4.904 16.052 1.658 1.00 0.00 C ATOM 1488 NE ARG A 94 6.214 16.318 2.293 1.00 0.00 N ATOM 1489 CZ ARG A 94 6.401 16.418 3.616 1.00 0.00 C ATOM 1490 NH1 ARG A 94 5.364 16.275 4.452 1.00 0.00 N ATOM 1491 NH2 ARG A 94 7.625 16.661 4.104 1.00 0.00 N ATOM 0 H ARG A 94 5.256 15.532 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 94 3.615 17.861 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.882 17.890 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.057 16.517 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.914 15.068 -0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.054 16.393 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.178 16.801 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.524 15.083 1.981 1.00 0.00 H new ATOM 0 HE ARG A 94 7.025 16.432 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.432 16.090 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.507 16.351 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.415 16.770 3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.767 16.737 5.111 1.00 0.00 H new ATOM 1505 N ILE A 95 6.790 18.134 -1.855 1.00 0.00 N ATOM 1506 CA ILE A 95 7.904 19.060 -1.741 1.00 0.00 C ATOM 1507 C ILE A 95 8.247 19.613 -3.126 1.00 0.00 C ATOM 1508 O ILE A 95 9.415 19.659 -3.508 1.00 0.00 O ATOM 1509 CB ILE A 95 9.086 18.391 -1.036 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.836 17.458 -1.989 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.631 17.669 0.233 1.00 0.00 C ATOM 1512 CD1 ILE A 95 11.305 17.868 -2.116 1.00 0.00 C ATOM 0 H ILE A 95 7.057 17.164 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 95 7.630 19.911 -1.117 1.00 0.00 H new ATOM 0 HB ILE A 95 9.786 19.169 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.771 16.432 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.363 17.479 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.491 17.202 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.177 18.386 0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.900 16.903 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.815 17.188 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.367 18.885 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.781 17.823 -1.137 1.00 0.00 H new ATOM 1524 N ALA A 96 7.207 20.018 -3.839 1.00 0.00 N ATOM 1525 CA ALA A 96 7.383 20.567 -5.173 1.00 0.00 C ATOM 1526 C ALA A 96 6.796 21.979 -5.222 1.00 0.00 C ATOM 1527 O ALA A 96 5.639 22.162 -5.596 1.00 0.00 O ATOM 1528 CB ALA A 96 6.738 19.632 -6.199 1.00 0.00 C ATOM 0 H ALA A 96 6.240 19.977 -3.519 1.00 0.00 H new ATOM 0 HA ALA A 96 8.442 20.642 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.870 20.044 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.210 18.651 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.674 19.535 -5.984 1.00 0.00 H new ATOM 1534 N SER A 97 7.622 22.941 -4.837 1.00 0.00 N ATOM 1535 CA SER A 97 7.199 24.332 -4.831 1.00 0.00 C ATOM 1536 C SER A 97 8.421 25.250 -4.889 1.00 0.00 C ATOM 1537 O SER A 97 9.189 25.329 -3.931 1.00 0.00 O ATOM 1538 CB SER A 97 6.357 24.646 -3.594 1.00 0.00 C ATOM 1539 OG SER A 97 5.553 25.809 -3.776 1.00 0.00 O ATOM 0 H SER A 97 8.581 22.785 -4.527 1.00 0.00 H new ATOM 0 HA SER A 97 6.580 24.506 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.716 23.794 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.013 24.790 -2.736 1.00 0.00 H new ATOM 0 HG SER A 97 5.029 25.975 -2.965 1.00 0.00 H new ATOM 1545 N GLY A 98 8.564 25.922 -6.023 1.00 0.00 N ATOM 1546 CA GLY A 98 9.679 26.832 -6.218 1.00 0.00 C ATOM 1547 C GLY A 98 9.213 28.142 -6.857 1.00 0.00 C ATOM 1548 O GLY A 98 8.701 28.144 -7.975 1.00 0.00 O ATOM 0 H GLY A 98 7.926 25.854 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.155 27.040 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.431 26.361 -6.852 1.00 0.00 H new ATOM 1552 N PRO A 99 9.412 29.254 -6.099 1.00 0.00 N ATOM 1553 CA PRO A 99 9.018 30.567 -6.579 1.00 0.00 C ATOM 1554 C PRO A 99 9.991 31.076 -7.644 1.00 0.00 C ATOM 1555 O PRO A 99 9.583 31.732 -8.601 1.00 0.00 O ATOM 1556 CB PRO A 99 8.982 31.445 -5.339 1.00 0.00 C ATOM 1557 CG PRO A 99 9.802 30.715 -4.287 1.00 0.00 C ATOM 1558 CD PRO A 99 10.015 29.289 -4.770 1.00 0.00 C ATOM 0 HA PRO A 99 8.047 30.560 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.400 32.430 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.958 31.598 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.759 31.214 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.284 30.720 -3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.075 29.038 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.542 28.570 -4.101 1.00 0.00 H new ATOM 1566 N SER A 100 11.261 30.755 -7.441 1.00 0.00 N ATOM 1567 CA SER A 100 12.296 31.172 -8.372 1.00 0.00 C ATOM 1568 C SER A 100 12.749 29.981 -9.219 1.00 0.00 C ATOM 1569 O SER A 100 13.111 28.936 -8.682 1.00 0.00 O ATOM 1570 CB SER A 100 13.489 31.782 -7.632 1.00 0.00 C ATOM 1571 OG SER A 100 13.572 33.191 -7.824 1.00 0.00 O ATOM 0 H SER A 100 11.596 30.211 -6.646 1.00 0.00 H new ATOM 0 HA SER A 100 11.879 31.937 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.404 31.566 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.410 31.314 -7.980 1.00 0.00 H new ATOM 0 HG SER A 100 14.345 33.543 -7.335 1.00 0.00 H new ATOM 1577 N SER A 101 12.713 30.180 -10.529 1.00 0.00 N ATOM 1578 CA SER A 101 13.115 29.135 -11.455 1.00 0.00 C ATOM 1579 C SER A 101 14.634 29.156 -11.640 1.00 0.00 C ATOM 1580 O SER A 101 15.183 30.109 -12.190 1.00 0.00 O ATOM 1581 CB SER A 101 12.414 29.297 -12.805 1.00 0.00 C ATOM 1582 OG SER A 101 12.713 30.549 -13.416 1.00 0.00 O ATOM 0 H SER A 101 12.412 31.049 -10.970 1.00 0.00 H new ATOM 0 HA SER A 101 12.820 28.173 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.717 28.488 -13.470 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.336 29.210 -12.667 1.00 0.00 H new ATOM 0 HG SER A 101 13.629 30.814 -13.189 1.00 0.00 H new ATOM 1588 N GLY A 102 15.269 28.093 -11.169 1.00 0.00 N ATOM 1589 CA GLY A 102 16.714 27.976 -11.275 1.00 0.00 C ATOM 1590 C GLY A 102 17.109 27.157 -12.505 1.00 0.00 C ATOM 1591 O GLY A 102 16.266 26.845 -13.345 1.00 0.00 O ATOM 0 H GLY A 102 14.810 27.305 -10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 102 17.159 28.969 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.111 27.504 -10.376 1.00 0.00 H new TER 1595 GLY A 102