USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 810 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 42 GLN : amide:sc= -2.96! C(o=-3!,f=-3.5!) USER MOD Set 1.2: A 98 THR OG1 : rot -78:sc= -0.0262 USER MOD Set 2.1: A 46 HIS :FLIP no HD1:sc= -6.02! C(o=-13!,f=-11!) USER MOD Set 2.2: A 47 ASN : amide:sc= -4.64! C(o=-11!,f=-12!) USER MOD Set 3.1: A 29 THR OG1 : rot -170:sc= 0.939 USER MOD Set 3.2: A 31 SER OG : rot -59:sc= 0.979 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0236 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 32:sc= 0.111 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 158:sc= -2.74 (180deg=-3.62!) USER MOD Single : A 14 SER OG : rot 92:sc= -0.61! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -7.17! C(o=-7.2!,f=-8.8!) USER MOD Single : A 32 GLN : amide:sc=-0.00678 X(o=-0.0068,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -134:sc= 0.969 (180deg=-1.76!) USER MOD Single : A 35 THR OG1 : rot 98:sc= -0.926 USER MOD Single : A 38 GLN : amide:sc= -0.73 K(o=-0.73,f=-5.8!) USER MOD Single : A 40 GLN : amide:sc= -6.78! C(o=-6.8!,f=-11!) USER MOD Single : A 48 GLN : amide:sc= -7.19! C(o=-7.2!,f=-20!) USER MOD Single : A 49 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 51 SER OG : rot -155:sc= -0.369 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.8) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -173:sc= -2.71! (180deg=-3.07) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0896 K(o=-0.09,f=-0.96) USER MOD Single : A 85 HIS : no HE2:sc= -0.853 X(o=-0.85,f=-0.89) USER MOD Single : A 87 SER OG : rot 31:sc= 0.458 USER MOD Single : A 88 MET CE :methyl -139:sc= -1.49 (180deg=-6.35!) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 2:sc= 0.263 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.763 12.802 20.553 1.00 0.00 N ATOM 2 CA GLY A 1 3.632 14.238 20.729 1.00 0.00 C ATOM 3 C GLY A 1 2.422 14.776 19.964 1.00 0.00 C ATOM 4 O GLY A 1 2.120 14.311 18.866 1.00 0.00 O ATOM 0 H1 GLY A 1 4.769 12.554 20.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.362 12.313 21.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.252 12.509 19.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.529 14.470 21.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.537 14.735 20.380 1.00 0.00 H new ATOM 8 N SER A 2 1.761 15.749 20.574 1.00 0.00 N ATOM 9 CA SER A 2 0.590 16.356 19.963 1.00 0.00 C ATOM 10 C SER A 2 -0.364 15.268 19.466 1.00 0.00 C ATOM 11 O SER A 2 -0.221 14.775 18.349 1.00 0.00 O ATOM 12 CB SER A 2 0.987 17.281 18.811 1.00 0.00 C ATOM 13 OG SER A 2 1.323 18.588 19.268 1.00 0.00 O ATOM 0 H SER A 2 2.014 16.132 21.485 1.00 0.00 H new ATOM 0 HA SER A 2 0.083 16.957 20.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.837 16.853 18.279 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.165 17.346 18.098 1.00 0.00 H new ATOM 0 HG SER A 2 1.572 19.148 18.503 1.00 0.00 H new ATOM 19 N SER A 3 -1.316 14.925 20.321 1.00 0.00 N ATOM 20 CA SER A 3 -2.294 13.905 19.983 1.00 0.00 C ATOM 21 C SER A 3 -3.415 14.513 19.138 1.00 0.00 C ATOM 22 O SER A 3 -4.169 15.359 19.617 1.00 0.00 O ATOM 23 CB SER A 3 -2.871 13.256 21.243 1.00 0.00 C ATOM 24 OG SER A 3 -2.804 11.833 21.189 1.00 0.00 O ATOM 0 H SER A 3 -1.431 15.336 21.248 1.00 0.00 H new ATOM 0 HA SER A 3 -1.792 13.129 19.404 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.325 13.612 22.117 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.909 13.566 21.368 1.00 0.00 H new ATOM 0 HG SER A 3 -3.180 11.456 22.012 1.00 0.00 H new ATOM 30 N GLY A 4 -3.489 14.059 17.896 1.00 0.00 N ATOM 31 CA GLY A 4 -4.505 14.549 16.980 1.00 0.00 C ATOM 32 C GLY A 4 -4.571 13.682 15.720 1.00 0.00 C ATOM 33 O GLY A 4 -3.704 13.773 14.853 1.00 0.00 O ATOM 0 H GLY A 4 -2.862 13.357 17.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.476 14.551 17.475 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.285 15.581 16.705 1.00 0.00 H new ATOM 37 N SER A 5 -5.609 12.860 15.660 1.00 0.00 N ATOM 38 CA SER A 5 -5.800 11.978 14.522 1.00 0.00 C ATOM 39 C SER A 5 -6.326 12.774 13.325 1.00 0.00 C ATOM 40 O SER A 5 -7.316 13.494 13.441 1.00 0.00 O ATOM 41 CB SER A 5 -6.761 10.837 14.864 1.00 0.00 C ATOM 42 OG SER A 5 -8.046 11.318 15.246 1.00 0.00 O ATOM 0 H SER A 5 -6.326 12.787 16.382 1.00 0.00 H new ATOM 0 HA SER A 5 -4.836 11.540 14.264 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.862 10.178 14.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.342 10.240 15.674 1.00 0.00 H new ATOM 0 HG SER A 5 -8.238 12.152 14.769 1.00 0.00 H new ATOM 48 N SER A 6 -5.640 12.616 12.203 1.00 0.00 N ATOM 49 CA SER A 6 -6.025 13.311 10.986 1.00 0.00 C ATOM 50 C SER A 6 -7.410 12.844 10.534 1.00 0.00 C ATOM 51 O SER A 6 -8.339 13.645 10.439 1.00 0.00 O ATOM 52 CB SER A 6 -4.999 13.085 9.874 1.00 0.00 C ATOM 53 OG SER A 6 -3.897 13.983 9.974 1.00 0.00 O ATOM 0 H SER A 6 -4.820 12.017 12.111 1.00 0.00 H new ATOM 0 HA SER A 6 -6.060 14.380 11.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.635 12.058 9.919 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.482 13.210 8.905 1.00 0.00 H new ATOM 0 HG SER A 6 -3.264 13.806 9.248 1.00 0.00 H new ATOM 59 N GLY A 7 -7.505 11.550 10.266 1.00 0.00 N ATOM 60 CA GLY A 7 -8.761 10.967 9.825 1.00 0.00 C ATOM 61 C GLY A 7 -8.805 9.468 10.127 1.00 0.00 C ATOM 62 O GLY A 7 -8.912 9.067 11.285 1.00 0.00 O ATOM 0 H GLY A 7 -6.733 10.889 10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.592 11.466 10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.886 11.130 8.754 1.00 0.00 H new ATOM 66 N THR A 8 -8.720 8.680 9.065 1.00 0.00 N ATOM 67 CA THR A 8 -8.750 7.234 9.202 1.00 0.00 C ATOM 68 C THR A 8 -7.431 6.626 8.721 1.00 0.00 C ATOM 69 O THR A 8 -7.128 6.656 7.529 1.00 0.00 O ATOM 70 CB THR A 8 -9.972 6.712 8.444 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.079 7.294 9.127 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.173 5.206 8.623 1.00 0.00 C ATOM 0 H THR A 8 -8.630 9.016 8.106 1.00 0.00 H new ATOM 0 HA THR A 8 -8.847 6.937 10.246 1.00 0.00 H new ATOM 0 HB THR A 8 -9.866 6.940 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.914 7.009 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.053 4.888 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.296 4.675 8.252 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.313 4.981 9.680 1.00 0.00 H new ATOM 80 N MET A 9 -6.681 6.089 9.672 1.00 0.00 N ATOM 81 CA MET A 9 -5.402 5.475 9.360 1.00 0.00 C ATOM 82 C MET A 9 -5.486 3.951 9.460 1.00 0.00 C ATOM 83 O MET A 9 -6.000 3.417 10.442 1.00 0.00 O ATOM 84 CB MET A 9 -4.338 5.992 10.330 1.00 0.00 C ATOM 85 CG MET A 9 -3.010 5.260 10.128 1.00 0.00 C ATOM 86 SD MET A 9 -2.418 4.626 11.688 1.00 0.00 S ATOM 87 CE MET A 9 -3.301 3.076 11.748 1.00 0.00 C ATOM 0 H MET A 9 -6.935 6.066 10.660 1.00 0.00 H new ATOM 0 HA MET A 9 -5.134 5.739 8.337 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.194 7.062 10.181 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.680 5.856 11.356 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.141 4.442 9.420 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.273 5.939 9.699 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.785 2.389 12.419 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.313 3.248 12.113 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.344 2.643 10.749 1.00 0.00 H new ATOM 97 N LEU A 10 -4.975 3.293 8.430 1.00 0.00 N ATOM 98 CA LEU A 10 -4.986 1.840 8.390 1.00 0.00 C ATOM 99 C LEU A 10 -3.557 1.319 8.554 1.00 0.00 C ATOM 100 O LEU A 10 -2.668 1.680 7.784 1.00 0.00 O ATOM 101 CB LEU A 10 -5.678 1.345 7.118 1.00 0.00 C ATOM 102 CG LEU A 10 -7.206 1.429 7.111 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.826 0.182 7.745 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.688 2.715 7.786 1.00 0.00 C ATOM 0 H LEU A 10 -4.551 3.739 7.617 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.569 1.440 9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.298 1.920 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.390 0.307 6.952 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.541 1.465 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.913 0.267 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.522 -0.701 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.486 0.091 8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.777 2.749 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.342 2.735 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.289 3.578 7.253 1.00 0.00 H new ATOM 116 N ARG A 11 -3.380 0.478 9.562 1.00 0.00 N ATOM 117 CA ARG A 11 -2.074 -0.097 9.838 1.00 0.00 C ATOM 118 C ARG A 11 -1.849 -1.340 8.975 1.00 0.00 C ATOM 119 O ARG A 11 -2.380 -2.409 9.270 1.00 0.00 O ATOM 120 CB ARG A 11 -1.940 -0.477 11.314 1.00 0.00 C ATOM 121 CG ARG A 11 -0.804 0.301 11.980 1.00 0.00 C ATOM 122 CD ARG A 11 -0.439 -0.312 13.333 1.00 0.00 C ATOM 123 NE ARG A 11 0.127 0.727 14.223 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.611 1.583 14.942 1.00 0.00 C ATOM 125 NH1 ARG A 11 -1.949 1.531 14.880 1.00 0.00 N ATOM 126 NH2 ARG A 11 -0.012 2.493 15.723 1.00 0.00 N ATOM 0 H ARG A 11 -4.120 0.181 10.198 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.323 0.656 9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.877 -0.274 11.832 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.753 -1.547 11.402 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.071 0.302 11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.102 1.341 12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.324 -0.753 13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.283 -1.117 13.194 1.00 0.00 H new ATOM 0 HE ARG A 11 1.142 0.795 14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.405 0.839 14.285 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.511 2.183 15.428 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.006 2.534 15.770 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.574 3.145 16.270 1.00 0.00 H new ATOM 140 N VAL A 12 -1.061 -1.158 7.926 1.00 0.00 N ATOM 141 CA VAL A 12 -0.758 -2.252 7.018 1.00 0.00 C ATOM 142 C VAL A 12 0.560 -2.907 7.436 1.00 0.00 C ATOM 143 O VAL A 12 1.397 -2.271 8.075 1.00 0.00 O ATOM 144 CB VAL A 12 -0.743 -1.745 5.575 1.00 0.00 C ATOM 145 CG1 VAL A 12 -2.026 -0.978 5.249 1.00 0.00 C ATOM 146 CG2 VAL A 12 0.494 -0.883 5.310 1.00 0.00 C ATOM 0 H VAL A 12 -0.623 -0.269 7.684 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.532 -3.018 7.071 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.695 -2.612 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.989 -0.629 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.886 -1.635 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.119 -0.123 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.481 -0.535 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.490 -0.025 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.393 -1.474 5.482 1.00 0.00 H new ATOM 156 N ARG A 13 0.702 -4.169 7.059 1.00 0.00 N ATOM 157 CA ARG A 13 1.904 -4.917 7.387 1.00 0.00 C ATOM 158 C ARG A 13 2.585 -5.413 6.110 1.00 0.00 C ATOM 159 O ARG A 13 1.962 -6.089 5.293 1.00 0.00 O ATOM 160 CB ARG A 13 1.580 -6.114 8.283 1.00 0.00 C ATOM 161 CG ARG A 13 2.828 -6.962 8.536 1.00 0.00 C ATOM 162 CD ARG A 13 3.357 -6.750 9.956 1.00 0.00 C ATOM 163 NE ARG A 13 3.483 -8.052 10.649 1.00 0.00 N ATOM 164 CZ ARG A 13 3.858 -8.188 11.928 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.146 -7.105 12.661 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.945 -9.409 12.474 1.00 0.00 N ATOM 0 H ARG A 13 0.005 -4.693 6.530 1.00 0.00 H new ATOM 0 HA ARG A 13 2.576 -4.247 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.175 -5.763 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.809 -6.726 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.593 -8.016 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.601 -6.702 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.326 -6.252 9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.683 -6.097 10.510 1.00 0.00 H new ATOM 0 HE ARG A 13 3.271 -8.898 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.080 -6.176 12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.431 -7.209 13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.726 -10.234 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.230 -9.513 13.448 1.00 0.00 H new ATOM 180 N SER A 14 3.855 -5.059 5.979 1.00 0.00 N ATOM 181 CA SER A 14 4.628 -5.460 4.816 1.00 0.00 C ATOM 182 C SER A 14 5.834 -6.295 5.251 1.00 0.00 C ATOM 183 O SER A 14 6.326 -6.145 6.368 1.00 0.00 O ATOM 184 CB SER A 14 5.087 -4.242 4.012 1.00 0.00 C ATOM 185 OG SER A 14 4.828 -3.021 4.700 1.00 0.00 O ATOM 0 H SER A 14 4.368 -4.499 6.659 1.00 0.00 H new ATOM 0 HA SER A 14 3.989 -6.065 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.155 -4.324 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.578 -4.230 3.048 1.00 0.00 H new ATOM 0 HG SER A 14 5.611 -2.775 5.236 1.00 0.00 H new ATOM 191 N ARG A 15 6.276 -7.155 4.345 1.00 0.00 N ATOM 192 CA ARG A 15 7.416 -8.013 4.621 1.00 0.00 C ATOM 193 C ARG A 15 8.613 -7.176 5.076 1.00 0.00 C ATOM 194 O ARG A 15 9.455 -7.651 5.836 1.00 0.00 O ATOM 195 CB ARG A 15 7.808 -8.823 3.384 1.00 0.00 C ATOM 196 CG ARG A 15 7.797 -7.947 2.130 1.00 0.00 C ATOM 197 CD ARG A 15 8.801 -8.458 1.095 1.00 0.00 C ATOM 198 NE ARG A 15 10.170 -8.424 1.658 1.00 0.00 N ATOM 199 CZ ARG A 15 11.281 -8.653 0.946 1.00 0.00 C ATOM 200 NH1 ARG A 15 11.193 -8.934 -0.362 1.00 0.00 N ATOM 201 NH2 ARG A 15 12.481 -8.601 1.540 1.00 0.00 N ATOM 0 H ARG A 15 5.865 -7.276 3.419 1.00 0.00 H new ATOM 0 HA ARG A 15 7.128 -8.702 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.801 -9.251 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.117 -9.656 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.797 -7.938 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.038 -6.918 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.545 -9.476 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.753 -7.844 0.196 1.00 0.00 H new ATOM 0 HE ARG A 15 10.273 -8.213 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.280 -8.973 -0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.039 -9.108 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.549 -8.387 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.327 -8.776 0.997 1.00 0.00 H new ATOM 215 N ASP A 16 8.650 -5.943 4.591 1.00 0.00 N ATOM 216 CA ASP A 16 9.730 -5.035 4.938 1.00 0.00 C ATOM 217 C ASP A 16 9.483 -4.465 6.336 1.00 0.00 C ATOM 218 O ASP A 16 10.420 -4.049 7.015 1.00 0.00 O ATOM 219 CB ASP A 16 9.802 -3.864 3.956 1.00 0.00 C ATOM 220 CG ASP A 16 11.202 -3.550 3.425 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.665 -4.319 2.554 1.00 0.00 O ATOM 222 OD2 ASP A 16 11.778 -2.548 3.902 1.00 0.00 O ATOM 0 H ASP A 16 7.950 -5.552 3.961 1.00 0.00 H new ATOM 0 HA ASP A 16 10.665 -5.594 4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.149 -4.078 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.408 -2.974 4.446 1.00 0.00 H new ATOM 227 N GLY A 17 8.216 -4.466 6.724 1.00 0.00 N ATOM 228 CA GLY A 17 7.834 -3.954 8.029 1.00 0.00 C ATOM 229 C GLY A 17 6.376 -3.490 8.031 1.00 0.00 C ATOM 230 O GLY A 17 5.672 -3.639 7.033 1.00 0.00 O ATOM 0 H GLY A 17 7.442 -4.813 6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.974 -4.729 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.484 -3.123 8.302 1.00 0.00 H new ATOM 234 N LEU A 18 5.966 -2.936 9.162 1.00 0.00 N ATOM 235 CA LEU A 18 4.604 -2.449 9.306 1.00 0.00 C ATOM 236 C LEU A 18 4.532 -0.999 8.824 1.00 0.00 C ATOM 237 O LEU A 18 5.331 -0.161 9.240 1.00 0.00 O ATOM 238 CB LEU A 18 4.115 -2.644 10.743 1.00 0.00 C ATOM 239 CG LEU A 18 2.883 -1.832 11.148 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.620 -2.694 11.106 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.084 -1.175 12.515 1.00 0.00 C ATOM 0 H LEU A 18 6.552 -2.813 9.987 1.00 0.00 H new ATOM 0 HA LEU A 18 3.924 -3.028 8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.893 -3.701 10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.931 -2.392 11.421 1.00 0.00 H new ATOM 0 HG LEU A 18 2.749 -1.030 10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.759 -2.093 11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.472 -3.073 10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.728 -3.532 11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.194 -0.604 12.779 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.257 -1.945 13.267 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.944 -0.507 12.475 1.00 0.00 H new ATOM 253 N GLU A 19 3.567 -0.746 7.952 1.00 0.00 N ATOM 254 CA GLU A 19 3.380 0.588 7.408 1.00 0.00 C ATOM 255 C GLU A 19 1.944 1.060 7.642 1.00 0.00 C ATOM 256 O GLU A 19 1.025 0.247 7.727 1.00 0.00 O ATOM 257 CB GLU A 19 3.734 0.628 5.920 1.00 0.00 C ATOM 258 CG GLU A 19 5.250 0.572 5.716 1.00 0.00 C ATOM 259 CD GLU A 19 5.622 -0.473 4.662 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.034 -0.405 3.562 1.00 0.00 O ATOM 261 OE2 GLU A 19 6.487 -1.317 4.982 1.00 0.00 O ATOM 0 H GLU A 19 2.906 -1.443 7.609 1.00 0.00 H new ATOM 0 HA GLU A 19 4.055 1.269 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.263 -0.211 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.336 1.539 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.616 1.551 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.739 0.332 6.660 1.00 0.00 H new ATOM 268 N ARG A 20 1.795 2.373 7.740 1.00 0.00 N ATOM 269 CA ARG A 20 0.486 2.963 7.963 1.00 0.00 C ATOM 270 C ARG A 20 0.125 3.904 6.811 1.00 0.00 C ATOM 271 O ARG A 20 0.982 4.624 6.301 1.00 0.00 O ATOM 272 CB ARG A 20 0.450 3.743 9.279 1.00 0.00 C ATOM 273 CG ARG A 20 1.373 4.961 9.221 1.00 0.00 C ATOM 274 CD ARG A 20 1.125 5.895 10.407 1.00 0.00 C ATOM 275 NE ARG A 20 0.410 7.109 9.954 1.00 0.00 N ATOM 276 CZ ARG A 20 0.164 8.171 10.733 1.00 0.00 C ATOM 277 NH1 ARG A 20 0.573 8.175 12.009 1.00 0.00 N ATOM 278 NH2 ARG A 20 -0.491 9.229 10.237 1.00 0.00 N ATOM 0 H ARG A 20 2.559 3.045 7.669 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.239 2.151 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.570 4.065 9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.752 3.092 10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.413 4.634 9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.210 5.501 8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.539 5.381 11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.074 6.172 10.867 1.00 0.00 H new ATOM 0 HE ARG A 20 0.084 7.139 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.072 7.370 12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.386 8.983 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.803 9.226 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.678 10.037 10.831 1.00 0.00 H new ATOM 292 N VAL A 21 -1.145 3.868 6.436 1.00 0.00 N ATOM 293 CA VAL A 21 -1.630 4.708 5.354 1.00 0.00 C ATOM 294 C VAL A 21 -2.967 5.332 5.759 1.00 0.00 C ATOM 295 O VAL A 21 -3.752 4.715 6.478 1.00 0.00 O ATOM 296 CB VAL A 21 -1.717 3.896 4.060 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.272 4.747 2.916 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.355 3.304 3.692 1.00 0.00 C ATOM 0 H VAL A 21 -1.853 3.270 6.862 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.934 5.525 5.163 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.407 3.069 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.324 4.147 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.270 5.099 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.618 5.603 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.445 2.732 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.366 4.109 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.015 2.648 4.494 1.00 0.00 H new ATOM 308 N SER A 22 -3.186 6.548 5.280 1.00 0.00 N ATOM 309 CA SER A 22 -4.414 7.262 5.584 1.00 0.00 C ATOM 310 C SER A 22 -5.421 7.078 4.446 1.00 0.00 C ATOM 311 O SER A 22 -5.057 7.145 3.273 1.00 0.00 O ATOM 312 CB SER A 22 -4.143 8.750 5.817 1.00 0.00 C ATOM 313 OG SER A 22 -5.239 9.398 6.458 1.00 0.00 O ATOM 0 H SER A 22 -2.533 7.057 4.683 1.00 0.00 H new ATOM 0 HA SER A 22 -4.832 6.849 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.247 8.864 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.942 9.236 4.862 1.00 0.00 H new ATOM 0 HG SER A 22 -5.027 10.345 6.591 1.00 0.00 H new ATOM 319 N VAL A 23 -6.667 6.849 4.833 1.00 0.00 N ATOM 320 CA VAL A 23 -7.729 6.655 3.860 1.00 0.00 C ATOM 321 C VAL A 23 -8.869 7.631 4.155 1.00 0.00 C ATOM 322 O VAL A 23 -8.700 8.574 4.926 1.00 0.00 O ATOM 323 CB VAL A 23 -8.179 5.192 3.862 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.984 4.251 3.695 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.964 4.862 5.133 1.00 0.00 C ATOM 0 H VAL A 23 -6.965 6.793 5.807 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.369 6.870 2.854 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.843 5.044 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.331 3.218 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.484 4.462 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.284 4.402 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.272 3.817 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.334 5.035 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.847 5.499 5.191 1.00 0.00 H new ATOM 335 N ASP A 24 -10.005 7.372 3.524 1.00 0.00 N ATOM 336 CA ASP A 24 -11.173 8.216 3.709 1.00 0.00 C ATOM 337 C ASP A 24 -12.186 7.492 4.598 1.00 0.00 C ATOM 338 O ASP A 24 -12.563 7.996 5.654 1.00 0.00 O ATOM 339 CB ASP A 24 -11.851 8.520 2.371 1.00 0.00 C ATOM 340 CG ASP A 24 -10.999 9.317 1.381 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.065 9.998 1.856 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.301 9.226 0.171 1.00 0.00 O ATOM 0 H ASP A 24 -10.141 6.590 2.884 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.845 9.149 4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.138 7.578 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.770 9.073 2.564 1.00 0.00 H new ATOM 347 N GLY A 25 -12.598 6.320 4.137 1.00 0.00 N ATOM 348 CA GLY A 25 -13.559 5.521 4.878 1.00 0.00 C ATOM 349 C GLY A 25 -14.014 4.311 4.058 1.00 0.00 C ATOM 350 O GLY A 25 -13.329 3.896 3.124 1.00 0.00 O ATOM 0 H GLY A 25 -12.284 5.905 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.113 5.184 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.422 6.133 5.139 1.00 0.00 H new ATOM 354 N PRO A 26 -15.198 3.766 4.447 1.00 0.00 N ATOM 355 CA PRO A 26 -15.752 2.612 3.759 1.00 0.00 C ATOM 356 C PRO A 26 -16.342 3.013 2.405 1.00 0.00 C ATOM 357 O PRO A 26 -16.438 2.188 1.497 1.00 0.00 O ATOM 358 CB PRO A 26 -16.789 2.045 4.714 1.00 0.00 C ATOM 359 CG PRO A 26 -17.107 3.162 5.695 1.00 0.00 C ATOM 360 CD PRO A 26 -16.036 4.231 5.548 1.00 0.00 C ATOM 0 HA PRO A 26 -14.998 1.862 3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.684 1.730 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.404 1.167 5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.093 3.579 5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.127 2.780 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.475 5.204 5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.459 4.342 6.466 1.00 0.00 H new ATOM 368 N HIS A 27 -16.721 4.279 2.312 1.00 0.00 N ATOM 369 CA HIS A 27 -17.299 4.799 1.084 1.00 0.00 C ATOM 370 C HIS A 27 -16.334 4.559 -0.079 1.00 0.00 C ATOM 371 O HIS A 27 -16.734 4.606 -1.241 1.00 0.00 O ATOM 372 CB HIS A 27 -17.680 6.272 1.244 1.00 0.00 C ATOM 373 CG HIS A 27 -16.612 7.115 1.899 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.742 8.480 2.083 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.396 6.771 2.413 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.647 8.928 2.680 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.814 7.868 2.883 1.00 0.00 N ATOM 0 H HIS A 27 -16.639 4.960 3.067 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.224 4.267 0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.905 6.687 0.262 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.594 6.338 1.835 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.544 9.046 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.978 5.775 2.434 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.449 9.953 2.957 1.00 0.00 H new ATOM 385 N ILE A 28 -15.083 4.307 0.275 1.00 0.00 N ATOM 386 CA ILE A 28 -14.058 4.060 -0.725 1.00 0.00 C ATOM 387 C ILE A 28 -13.937 2.553 -0.963 1.00 0.00 C ATOM 388 O ILE A 28 -14.391 1.753 -0.146 1.00 0.00 O ATOM 389 CB ILE A 28 -12.742 4.726 -0.319 1.00 0.00 C ATOM 390 CG1 ILE A 28 -12.019 3.906 0.752 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.973 6.171 0.125 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.737 3.284 0.194 1.00 0.00 C ATOM 0 H ILE A 28 -14.756 4.268 1.240 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.337 4.512 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.092 4.758 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.778 4.544 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.678 3.120 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.022 6.621 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.413 6.738 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.650 6.185 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.243 2.707 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.984 2.628 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.070 4.074 -0.151 1.00 0.00 H new ATOM 404 N THR A 29 -13.322 2.211 -2.085 1.00 0.00 N ATOM 405 CA THR A 29 -13.135 0.815 -2.441 1.00 0.00 C ATOM 406 C THR A 29 -11.648 0.456 -2.430 1.00 0.00 C ATOM 407 O THR A 29 -10.801 1.310 -2.173 1.00 0.00 O ATOM 408 CB THR A 29 -13.807 0.578 -3.795 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.004 1.313 -4.715 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.183 1.240 -3.890 1.00 0.00 C ATOM 0 H THR A 29 -12.946 2.877 -2.760 1.00 0.00 H new ATOM 0 HA THR A 29 -13.602 0.155 -1.710 1.00 0.00 H new ATOM 0 HB THR A 29 -13.907 -0.494 -3.967 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.452 1.346 -5.586 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.616 1.041 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.836 0.835 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.079 2.316 -3.751 1.00 0.00 H new ATOM 418 N VAL A 30 -11.375 -0.810 -2.712 1.00 0.00 N ATOM 419 CA VAL A 30 -10.005 -1.293 -2.738 1.00 0.00 C ATOM 420 C VAL A 30 -9.206 -0.491 -3.767 1.00 0.00 C ATOM 421 O VAL A 30 -8.034 -0.186 -3.548 1.00 0.00 O ATOM 422 CB VAL A 30 -9.986 -2.799 -3.007 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.573 -3.276 -3.351 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.552 -3.576 -1.817 1.00 0.00 C ATOM 0 H VAL A 30 -12.080 -1.516 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.529 -1.144 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.625 -2.994 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.587 -4.350 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.221 -2.757 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.904 -3.061 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.527 -4.644 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.951 -3.372 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.582 -3.267 -1.637 1.00 0.00 H new ATOM 434 N SER A 31 -9.871 -0.172 -4.868 1.00 0.00 N ATOM 435 CA SER A 31 -9.237 0.588 -5.932 1.00 0.00 C ATOM 436 C SER A 31 -8.667 1.893 -5.374 1.00 0.00 C ATOM 437 O SER A 31 -7.531 2.257 -5.674 1.00 0.00 O ATOM 438 CB SER A 31 -10.225 0.881 -7.063 1.00 0.00 C ATOM 439 OG SER A 31 -11.170 1.884 -6.700 1.00 0.00 O ATOM 0 H SER A 31 -10.843 -0.426 -5.046 1.00 0.00 H new ATOM 0 HA SER A 31 -8.424 -0.010 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.677 1.203 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.753 -0.035 -7.330 1.00 0.00 H new ATOM 0 HG SER A 31 -11.668 1.593 -5.907 1.00 0.00 H new ATOM 445 N GLN A 32 -9.481 2.562 -4.571 1.00 0.00 N ATOM 446 CA GLN A 32 -9.072 3.819 -3.968 1.00 0.00 C ATOM 447 C GLN A 32 -8.043 3.568 -2.864 1.00 0.00 C ATOM 448 O GLN A 32 -7.182 4.409 -2.610 1.00 0.00 O ATOM 449 CB GLN A 32 -10.280 4.587 -3.428 1.00 0.00 C ATOM 450 CG GLN A 32 -11.247 4.952 -4.556 1.00 0.00 C ATOM 451 CD GLN A 32 -11.834 6.349 -4.345 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.177 7.361 -4.527 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.105 6.348 -3.951 1.00 0.00 N ATOM 0 H GLN A 32 -10.422 2.257 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.607 4.435 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.797 3.982 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.944 5.494 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.726 4.913 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.052 4.218 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.597 5.464 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.587 7.231 -3.783 1.00 0.00 H new ATOM 462 N LEU A 33 -8.168 2.408 -2.236 1.00 0.00 N ATOM 463 CA LEU A 33 -7.260 2.036 -1.164 1.00 0.00 C ATOM 464 C LEU A 33 -5.868 1.783 -1.746 1.00 0.00 C ATOM 465 O LEU A 33 -4.900 2.434 -1.357 1.00 0.00 O ATOM 466 CB LEU A 33 -7.820 0.853 -0.373 1.00 0.00 C ATOM 467 CG LEU A 33 -7.466 0.812 1.115 1.00 0.00 C ATOM 468 CD1 LEU A 33 -8.289 -0.250 1.846 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.963 0.610 1.315 1.00 0.00 C ATOM 0 H LEU A 33 -8.884 1.714 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.163 2.851 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.906 0.860 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.466 -0.068 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.723 1.776 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.017 -0.258 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.350 -0.021 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.087 -1.229 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.738 0.585 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.658 -0.331 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.420 1.433 0.849 1.00 0.00 H new ATOM 481 N LYS A 34 -5.811 0.834 -2.670 1.00 0.00 N ATOM 482 CA LYS A 34 -4.554 0.486 -3.310 1.00 0.00 C ATOM 483 C LYS A 34 -3.905 1.753 -3.872 1.00 0.00 C ATOM 484 O LYS A 34 -2.716 1.991 -3.663 1.00 0.00 O ATOM 485 CB LYS A 34 -4.770 -0.610 -4.355 1.00 0.00 C ATOM 486 CG LYS A 34 -4.837 -1.989 -3.698 1.00 0.00 C ATOM 487 CD LYS A 34 -5.559 -2.992 -4.600 1.00 0.00 C ATOM 488 CE LYS A 34 -5.383 -4.421 -4.082 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.162 -5.371 -4.907 1.00 0.00 N ATOM 0 H LYS A 34 -6.616 0.295 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.859 0.067 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.693 -0.419 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.958 -0.589 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.828 -2.345 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.355 -1.915 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.620 -2.746 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.170 -2.919 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.328 -4.694 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.709 -4.480 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.683 -6.023 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.836 -4.845 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.516 -5.913 -5.515 1.00 0.00 H new ATOM 503 N THR A 35 -4.714 2.532 -4.574 1.00 0.00 N ATOM 504 CA THR A 35 -4.234 3.769 -5.167 1.00 0.00 C ATOM 505 C THR A 35 -3.531 4.628 -4.114 1.00 0.00 C ATOM 506 O THR A 35 -2.498 5.236 -4.392 1.00 0.00 O ATOM 507 CB THR A 35 -5.422 4.469 -5.828 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.504 3.871 -7.119 1.00 0.00 O ATOM 509 CG2 THR A 35 -5.145 5.946 -6.118 1.00 0.00 C ATOM 0 H THR A 35 -5.699 2.331 -4.746 1.00 0.00 H new ATOM 0 HA THR A 35 -3.485 3.575 -5.935 1.00 0.00 H new ATOM 0 HB THR A 35 -6.297 4.384 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.183 3.165 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.020 6.395 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.927 6.465 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.290 6.031 -6.789 1.00 0.00 H new ATOM 517 N LEU A 36 -4.119 4.651 -2.927 1.00 0.00 N ATOM 518 CA LEU A 36 -3.562 5.425 -1.831 1.00 0.00 C ATOM 519 C LEU A 36 -2.168 4.894 -1.493 1.00 0.00 C ATOM 520 O LEU A 36 -1.171 5.589 -1.684 1.00 0.00 O ATOM 521 CB LEU A 36 -4.522 5.434 -0.639 1.00 0.00 C ATOM 522 CG LEU A 36 -5.543 6.574 -0.609 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.583 6.349 0.490 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.847 7.929 -0.471 1.00 0.00 C ATOM 0 H LEU A 36 -4.976 4.146 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.444 6.468 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.063 4.488 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.932 5.476 0.277 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.076 6.581 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.297 7.173 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.110 5.413 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.085 6.301 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.595 8.722 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.272 7.950 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.177 8.082 -1.317 1.00 0.00 H new ATOM 536 N ILE A 37 -2.142 3.665 -0.997 1.00 0.00 N ATOM 537 CA ILE A 37 -0.886 3.032 -0.631 1.00 0.00 C ATOM 538 C ILE A 37 0.057 3.046 -1.836 1.00 0.00 C ATOM 539 O ILE A 37 1.276 3.088 -1.674 1.00 0.00 O ATOM 540 CB ILE A 37 -1.137 1.634 -0.062 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.713 1.714 1.353 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.134 0.784 -0.116 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.189 1.310 1.368 1.00 0.00 C ATOM 0 H ILE A 37 -2.971 3.091 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.395 3.591 0.165 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.882 1.140 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.147 1.061 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.606 2.729 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.072 -0.205 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.463 0.686 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.918 1.264 0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.574 1.376 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.756 1.980 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.290 0.286 1.007 1.00 0.00 H new ATOM 555 N GLN A 38 -0.542 3.010 -3.017 1.00 0.00 N ATOM 556 CA GLN A 38 0.229 3.018 -4.248 1.00 0.00 C ATOM 557 C GLN A 38 0.934 4.364 -4.424 1.00 0.00 C ATOM 558 O GLN A 38 2.011 4.432 -5.015 1.00 0.00 O ATOM 559 CB GLN A 38 -0.659 2.702 -5.453 1.00 0.00 C ATOM 560 CG GLN A 38 -0.054 3.263 -6.742 1.00 0.00 C ATOM 561 CD GLN A 38 -0.713 4.589 -7.125 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.349 5.653 -6.651 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.702 4.467 -8.006 1.00 0.00 N ATOM 0 H GLN A 38 -1.553 2.975 -3.147 1.00 0.00 H new ATOM 0 HA GLN A 38 0.988 2.238 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.783 1.623 -5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.652 3.125 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.018 3.410 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.180 2.543 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.956 3.546 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.206 5.294 -8.324 1.00 0.00 H new ATOM 572 N ASP A 39 0.298 5.402 -3.900 1.00 0.00 N ATOM 573 CA ASP A 39 0.851 6.742 -3.993 1.00 0.00 C ATOM 574 C ASP A 39 1.692 7.029 -2.747 1.00 0.00 C ATOM 575 O ASP A 39 2.769 7.616 -2.842 1.00 0.00 O ATOM 576 CB ASP A 39 -0.259 7.792 -4.066 1.00 0.00 C ATOM 577 CG ASP A 39 0.034 8.980 -4.984 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.198 9.435 -4.970 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.913 9.407 -5.680 1.00 0.00 O ATOM 0 H ASP A 39 -0.595 5.342 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 39 1.457 6.795 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.175 7.308 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.450 8.167 -3.061 1.00 0.00 H new ATOM 584 N GLN A 40 1.168 6.603 -1.607 1.00 0.00 N ATOM 585 CA GLN A 40 1.856 6.807 -0.344 1.00 0.00 C ATOM 586 C GLN A 40 3.109 5.931 -0.275 1.00 0.00 C ATOM 587 O GLN A 40 4.219 6.440 -0.125 1.00 0.00 O ATOM 588 CB GLN A 40 0.927 6.528 0.839 1.00 0.00 C ATOM 589 CG GLN A 40 0.091 7.762 1.182 1.00 0.00 C ATOM 590 CD GLN A 40 -0.887 7.463 2.321 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.521 6.966 3.373 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.147 7.792 2.051 1.00 0.00 N ATOM 0 H GLN A 40 0.274 6.117 -1.532 1.00 0.00 H new ATOM 0 HA GLN A 40 2.162 7.852 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.268 5.693 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.516 6.231 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.748 8.583 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.461 8.088 0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.384 8.205 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.876 7.631 2.746 1.00 0.00 H new ATOM 601 N LEU A 41 2.889 4.629 -0.388 1.00 0.00 N ATOM 602 CA LEU A 41 3.987 3.678 -0.341 1.00 0.00 C ATOM 603 C LEU A 41 4.730 3.696 -1.678 1.00 0.00 C ATOM 604 O LEU A 41 5.804 3.109 -1.804 1.00 0.00 O ATOM 605 CB LEU A 41 3.478 2.293 0.062 1.00 0.00 C ATOM 606 CG LEU A 41 2.660 2.228 1.353 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.551 0.789 1.861 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.233 3.169 2.414 1.00 0.00 C ATOM 0 H LEU A 41 1.967 4.211 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 41 4.706 3.964 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.867 1.901 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.336 1.628 0.165 1.00 0.00 H new ATOM 0 HG LEU A 41 1.648 2.569 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.965 0.771 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.062 0.173 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.548 0.397 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.633 3.103 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.261 2.883 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.215 4.193 2.040 1.00 0.00 H new ATOM 620 N GLN A 42 4.128 4.375 -2.644 1.00 0.00 N ATOM 621 CA GLN A 42 4.719 4.477 -3.967 1.00 0.00 C ATOM 622 C GLN A 42 4.886 3.086 -4.583 1.00 0.00 C ATOM 623 O GLN A 42 5.975 2.726 -5.026 1.00 0.00 O ATOM 624 CB GLN A 42 6.058 5.217 -3.915 1.00 0.00 C ATOM 625 CG GLN A 42 5.845 6.724 -3.760 1.00 0.00 C ATOM 626 CD GLN A 42 5.150 7.309 -4.991 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.948 6.647 -5.995 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.795 8.584 -4.857 1.00 0.00 N ATOM 0 H GLN A 42 3.237 4.860 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 42 4.046 5.055 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.653 4.842 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.624 5.018 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.245 6.921 -2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.806 7.217 -3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.994 9.080 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.323 9.065 -5.623 1.00 0.00 H new ATOM 637 N ILE A 43 3.789 2.343 -4.591 1.00 0.00 N ATOM 638 CA ILE A 43 3.800 1.000 -5.145 1.00 0.00 C ATOM 639 C ILE A 43 2.687 0.874 -6.187 1.00 0.00 C ATOM 640 O ILE A 43 1.595 1.410 -6.003 1.00 0.00 O ATOM 641 CB ILE A 43 3.716 -0.041 -4.027 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.775 0.220 -2.954 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.811 -1.461 -4.591 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.511 -0.624 -1.705 1.00 0.00 C ATOM 0 H ILE A 43 2.887 2.645 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 43 4.742 0.807 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 43 2.741 0.051 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.764 -0.010 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.776 1.277 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.749 -2.181 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.991 -1.631 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.761 -1.583 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.278 -0.419 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.532 -0.374 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.535 -1.681 -1.969 1.00 0.00 H new ATOM 656 N PRO A 44 3.010 0.143 -7.287 1.00 0.00 N ATOM 657 CA PRO A 44 2.050 -0.061 -8.359 1.00 0.00 C ATOM 658 C PRO A 44 0.982 -1.079 -7.953 1.00 0.00 C ATOM 659 O PRO A 44 1.306 -2.164 -7.473 1.00 0.00 O ATOM 660 CB PRO A 44 2.879 -0.513 -9.550 1.00 0.00 C ATOM 661 CG PRO A 44 4.204 -0.992 -8.977 1.00 0.00 C ATOM 662 CD PRO A 44 4.292 -0.507 -7.539 1.00 0.00 C ATOM 0 HA PRO A 44 1.491 0.843 -8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.377 -1.313 -10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.031 0.305 -10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.267 -2.079 -9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.037 -0.603 -9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.457 -1.336 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.121 0.188 -7.406 1.00 0.00 H new ATOM 670 N ILE A 45 -0.268 -0.693 -8.161 1.00 0.00 N ATOM 671 CA ILE A 45 -1.385 -1.559 -7.823 1.00 0.00 C ATOM 672 C ILE A 45 -1.173 -2.931 -8.466 1.00 0.00 C ATOM 673 O ILE A 45 -1.564 -3.952 -7.901 1.00 0.00 O ATOM 674 CB ILE A 45 -2.710 -0.898 -8.207 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.807 0.514 -7.626 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.897 -1.770 -7.794 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.251 1.020 -7.653 1.00 0.00 C ATOM 0 H ILE A 45 -0.532 0.208 -8.559 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.434 -1.715 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.742 -0.803 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.436 0.516 -6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.170 1.190 -8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.827 -1.277 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.830 -2.736 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.881 -1.919 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.292 2.026 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.610 1.040 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.881 0.355 -7.062 1.00 0.00 H new ATOM 689 N HIS A 46 -0.556 -2.911 -9.638 1.00 0.00 N ATOM 690 CA HIS A 46 -0.288 -4.142 -10.363 1.00 0.00 C ATOM 691 C HIS A 46 0.688 -5.007 -9.563 1.00 0.00 C ATOM 692 O HIS A 46 0.896 -6.175 -9.887 1.00 0.00 O ATOM 693 CB HIS A 46 0.211 -3.840 -11.778 1.00 0.00 C ATOM 694 CG HIS A 46 1.567 -3.178 -11.824 1.00 0.00 C ATOM 695 ND1 HIS A 46 2.723 -3.468 -11.161 1.00 0.00 N flip ATOM 696 CD2 HIS A 46 1.838 -2.080 -12.622 1.00 0.00 C flip ATOM 697 CE1 HIS A 46 3.651 -2.596 -11.536 1.00 0.00 C flip ATOM 698 NE2 HIS A 46 3.104 -1.735 -12.441 1.00 0.00 N flip ATOM 0 H HIS A 46 -0.234 -2.063 -10.104 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.212 -4.709 -10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.253 -4.771 -12.343 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.513 -3.196 -12.278 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.137 -1.588 -13.280 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.671 -2.572 -11.183 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.585 -0.961 -12.898 1.00 0.00 H new ATOM 706 N ASN A 47 1.259 -4.400 -8.533 1.00 0.00 N ATOM 707 CA ASN A 47 2.208 -5.101 -7.684 1.00 0.00 C ATOM 708 C ASN A 47 1.635 -5.211 -6.269 1.00 0.00 C ATOM 709 O ASN A 47 1.729 -6.262 -5.638 1.00 0.00 O ATOM 710 CB ASN A 47 3.535 -4.344 -7.599 1.00 0.00 C ATOM 711 CG ASN A 47 4.471 -4.749 -8.739 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.234 -5.703 -9.462 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.544 -3.973 -8.859 1.00 0.00 N ATOM 0 H ASN A 47 1.083 -3.431 -8.267 1.00 0.00 H new ATOM 0 HA ASN A 47 2.382 -6.087 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.349 -3.271 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.013 -4.548 -6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.230 -4.161 -9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.681 -3.190 -8.220 1.00 0.00 H new ATOM 720 N GLN A 48 1.053 -4.112 -5.814 1.00 0.00 N ATOM 721 CA GLN A 48 0.465 -4.071 -4.486 1.00 0.00 C ATOM 722 C GLN A 48 -0.458 -5.274 -4.277 1.00 0.00 C ATOM 723 O GLN A 48 -1.197 -5.659 -5.182 1.00 0.00 O ATOM 724 CB GLN A 48 -0.287 -2.758 -4.259 1.00 0.00 C ATOM 725 CG GLN A 48 0.673 -1.567 -4.278 1.00 0.00 C ATOM 726 CD GLN A 48 0.042 -0.344 -3.609 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.694 0.426 -2.922 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.260 -0.209 -3.846 1.00 0.00 N ATOM 0 H GLN A 48 0.976 -3.242 -6.341 1.00 0.00 H new ATOM 0 HA GLN A 48 1.269 -4.122 -3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.046 -2.631 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.809 -2.794 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.597 -1.832 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.939 -1.326 -5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.745 -0.890 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.773 0.575 -3.443 1.00 0.00 H new ATOM 737 N THR A 49 -0.384 -5.835 -3.079 1.00 0.00 N ATOM 738 CA THR A 49 -1.203 -6.987 -2.740 1.00 0.00 C ATOM 739 C THR A 49 -1.834 -6.804 -1.359 1.00 0.00 C ATOM 740 O THR A 49 -1.144 -6.874 -0.343 1.00 0.00 O ATOM 741 CB THR A 49 -0.328 -8.237 -2.848 1.00 0.00 C ATOM 742 OG1 THR A 49 0.298 -8.114 -4.122 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.153 -9.521 -2.960 1.00 0.00 C ATOM 0 H THR A 49 0.230 -5.513 -2.331 1.00 0.00 H new ATOM 0 HA THR A 49 -2.038 -7.097 -3.432 1.00 0.00 H new ATOM 0 HB THR A 49 0.324 -8.300 -1.977 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.043 -7.481 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.484 -10.378 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.782 -9.627 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.781 -9.473 -3.849 1.00 0.00 H new ATOM 751 N LEU A 50 -3.139 -6.573 -1.365 1.00 0.00 N ATOM 752 CA LEU A 50 -3.871 -6.379 -0.125 1.00 0.00 C ATOM 753 C LEU A 50 -4.463 -7.716 0.326 1.00 0.00 C ATOM 754 O LEU A 50 -4.935 -8.499 -0.497 1.00 0.00 O ATOM 755 CB LEU A 50 -4.911 -5.268 -0.284 1.00 0.00 C ATOM 756 CG LEU A 50 -4.406 -3.841 -0.063 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.521 -3.759 1.183 1.00 0.00 C ATOM 758 CD2 LEU A 50 -3.693 -3.312 -1.309 1.00 0.00 C ATOM 0 H LEU A 50 -3.708 -6.516 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.200 -6.044 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.332 -5.332 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.725 -5.457 0.416 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.268 -3.197 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.175 -2.734 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.095 -4.066 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.662 -4.419 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.344 -2.296 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.841 -3.952 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.385 -3.311 -2.151 1.00 0.00 H new ATOM 770 N SER A 51 -4.419 -7.936 1.632 1.00 0.00 N ATOM 771 CA SER A 51 -4.945 -9.164 2.202 1.00 0.00 C ATOM 772 C SER A 51 -5.191 -8.982 3.701 1.00 0.00 C ATOM 773 O SER A 51 -4.667 -8.050 4.311 1.00 0.00 O ATOM 774 CB SER A 51 -3.993 -10.337 1.959 1.00 0.00 C ATOM 775 OG SER A 51 -4.588 -11.586 2.299 1.00 0.00 O ATOM 0 H SER A 51 -4.027 -7.284 2.312 1.00 0.00 H new ATOM 0 HA SER A 51 -5.891 -9.391 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.695 -10.351 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.086 -10.196 2.547 1.00 0.00 H new ATOM 0 HG SER A 51 -3.886 -12.235 2.515 1.00 0.00 H new ATOM 781 N THR A 52 -5.988 -9.886 4.252 1.00 0.00 N ATOM 782 CA THR A 52 -6.309 -9.836 5.669 1.00 0.00 C ATOM 783 C THR A 52 -5.706 -11.041 6.395 1.00 0.00 C ATOM 784 O THR A 52 -6.288 -11.548 7.352 1.00 0.00 O ATOM 785 CB THR A 52 -7.830 -9.743 5.805 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.313 -10.873 5.085 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.413 -8.545 5.054 1.00 0.00 C ATOM 0 H THR A 52 -6.421 -10.657 3.743 1.00 0.00 H new ATOM 0 HA THR A 52 -5.871 -8.958 6.144 1.00 0.00 H new ATOM 0 HB THR A 52 -8.096 -9.674 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.292 -10.891 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.495 -8.526 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.984 -7.624 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.176 -8.630 3.994 1.00 0.00 H new ATOM 795 N ASN A 53 -4.547 -11.464 5.911 1.00 0.00 N ATOM 796 CA ASN A 53 -3.860 -12.599 6.502 1.00 0.00 C ATOM 797 C ASN A 53 -2.363 -12.294 6.588 1.00 0.00 C ATOM 798 O ASN A 53 -1.794 -11.694 5.678 1.00 0.00 O ATOM 799 CB ASN A 53 -4.037 -13.856 5.648 1.00 0.00 C ATOM 800 CG ASN A 53 -5.023 -14.827 6.300 1.00 0.00 C ATOM 801 OD1 ASN A 53 -6.211 -14.829 6.018 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.467 -15.650 7.184 1.00 0.00 N ATOM 0 H ASN A 53 -4.067 -11.041 5.117 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.284 -12.772 7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.396 -13.579 4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.073 -14.347 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.041 -16.336 7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.466 -15.595 7.373 1.00 0.00 H new ATOM 809 N ARG A 54 -1.767 -12.721 7.692 1.00 0.00 N ATOM 810 CA ARG A 54 -0.348 -12.502 7.910 1.00 0.00 C ATOM 811 C ARG A 54 0.476 -13.411 6.996 1.00 0.00 C ATOM 812 O ARG A 54 1.668 -13.180 6.795 1.00 0.00 O ATOM 813 CB ARG A 54 0.035 -12.772 9.366 1.00 0.00 C ATOM 814 CG ARG A 54 0.136 -14.274 9.637 1.00 0.00 C ATOM 815 CD ARG A 54 1.596 -14.706 9.791 1.00 0.00 C ATOM 816 NE ARG A 54 1.730 -16.151 9.497 1.00 0.00 N ATOM 817 CZ ARG A 54 2.900 -16.771 9.296 1.00 0.00 C ATOM 818 NH1 ARG A 54 4.045 -16.077 9.355 1.00 0.00 N ATOM 819 NH2 ARG A 54 2.926 -18.085 9.035 1.00 0.00 N ATOM 0 H ARG A 54 -2.242 -13.218 8.445 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.135 -11.458 7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.989 -12.294 9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.707 -12.328 10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.418 -14.522 10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.326 -14.827 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.228 -14.129 9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.940 -14.499 10.804 1.00 0.00 H new ATOM 0 HE ARG A 54 0.878 -16.709 9.444 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.025 -15.077 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.936 -16.549 9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.055 -18.613 8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.817 -18.557 8.882 1.00 0.00 H new ATOM 833 N ASN A 55 -0.191 -14.427 6.467 1.00 0.00 N ATOM 834 CA ASN A 55 0.465 -15.372 5.580 1.00 0.00 C ATOM 835 C ASN A 55 0.895 -14.651 4.301 1.00 0.00 C ATOM 836 O ASN A 55 1.661 -15.193 3.506 1.00 0.00 O ATOM 837 CB ASN A 55 -0.483 -16.507 5.187 1.00 0.00 C ATOM 838 CG ASN A 55 -0.883 -17.335 6.409 1.00 0.00 C ATOM 839 OD1 ASN A 55 -0.245 -17.304 7.449 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.973 -18.075 6.228 1.00 0.00 N ATOM 0 H ASN A 55 -1.179 -14.616 6.636 1.00 0.00 H new ATOM 0 HA ASN A 55 1.326 -15.786 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.375 -16.094 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.001 -17.149 4.450 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.322 -18.663 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.460 -18.055 5.332 1.00 0.00 H new ATOM 847 N LEU A 56 0.383 -13.439 4.143 1.00 0.00 N ATOM 848 CA LEU A 56 0.705 -12.637 2.974 1.00 0.00 C ATOM 849 C LEU A 56 2.223 -12.473 2.876 1.00 0.00 C ATOM 850 O LEU A 56 2.809 -12.703 1.819 1.00 0.00 O ATOM 851 CB LEU A 56 -0.057 -11.311 3.008 1.00 0.00 C ATOM 852 CG LEU A 56 -0.116 -10.538 1.689 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.025 -11.242 0.680 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.537 -9.086 1.923 1.00 0.00 C ATOM 0 H LEU A 56 -0.252 -12.993 4.805 1.00 0.00 H new ATOM 0 HA LEU A 56 0.380 -13.141 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.077 -11.509 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.401 -10.670 3.762 1.00 0.00 H new ATOM 0 HG LEU A 56 0.886 -10.518 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.049 -10.671 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.641 -12.243 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.033 -11.314 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.571 -8.559 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.524 -9.063 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.183 -8.600 2.581 1.00 0.00 H new ATOM 866 N LEU A 57 2.816 -12.075 3.992 1.00 0.00 N ATOM 867 CA LEU A 57 4.255 -11.877 4.045 1.00 0.00 C ATOM 868 C LEU A 57 4.958 -13.224 3.871 1.00 0.00 C ATOM 869 O LEU A 57 6.171 -13.275 3.674 1.00 0.00 O ATOM 870 CB LEU A 57 4.647 -11.139 5.326 1.00 0.00 C ATOM 871 CG LEU A 57 4.205 -9.677 5.421 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.693 -9.548 5.227 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.671 -9.047 6.735 1.00 0.00 C ATOM 0 H LEU A 57 2.327 -11.884 4.866 1.00 0.00 H new ATOM 0 HA LEU A 57 4.582 -11.239 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.230 -11.680 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.732 -11.177 5.426 1.00 0.00 H new ATOM 0 HG LEU A 57 4.682 -9.123 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.405 -8.499 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.418 -9.933 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.177 -10.120 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.344 -8.008 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.243 -9.596 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.759 -9.087 6.792 1.00 0.00 H new ATOM 885 N LEU A 58 4.166 -14.284 3.952 1.00 0.00 N ATOM 886 CA LEU A 58 4.697 -15.628 3.806 1.00 0.00 C ATOM 887 C LEU A 58 4.769 -15.985 2.320 1.00 0.00 C ATOM 888 O LEU A 58 5.594 -16.803 1.914 1.00 0.00 O ATOM 889 CB LEU A 58 3.881 -16.620 4.638 1.00 0.00 C ATOM 890 CG LEU A 58 3.118 -17.687 3.850 1.00 0.00 C ATOM 891 CD1 LEU A 58 4.080 -18.583 3.068 1.00 0.00 C ATOM 892 CD2 LEU A 58 2.201 -18.496 4.770 1.00 0.00 C ATOM 0 H LEU A 58 3.160 -14.238 4.117 1.00 0.00 H new ATOM 0 HA LEU A 58 5.713 -15.680 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.555 -17.122 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.165 -16.058 5.238 1.00 0.00 H new ATOM 0 HG LEU A 58 2.482 -17.185 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.512 -19.333 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.655 -17.976 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.759 -19.079 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.670 -19.247 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.798 -18.988 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.480 -17.829 5.243 1.00 0.00 H new ATOM 904 N ALA A 59 3.895 -15.355 1.549 1.00 0.00 N ATOM 905 CA ALA A 59 3.850 -15.596 0.117 1.00 0.00 C ATOM 906 C ALA A 59 5.085 -14.977 -0.539 1.00 0.00 C ATOM 907 O ALA A 59 5.307 -13.771 -0.441 1.00 0.00 O ATOM 908 CB ALA A 59 2.545 -15.036 -0.453 1.00 0.00 C ATOM 0 H ALA A 59 3.212 -14.678 1.889 1.00 0.00 H new ATOM 0 HA ALA A 59 3.866 -16.665 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.510 -15.216 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.698 -15.528 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.496 -13.964 -0.263 1.00 0.00 H new ATOM 914 N LYS A 60 5.858 -15.831 -1.195 1.00 0.00 N ATOM 915 CA LYS A 60 7.066 -15.384 -1.867 1.00 0.00 C ATOM 916 C LYS A 60 6.874 -15.498 -3.381 1.00 0.00 C ATOM 917 O LYS A 60 7.462 -14.734 -4.144 1.00 0.00 O ATOM 918 CB LYS A 60 8.284 -16.145 -1.343 1.00 0.00 C ATOM 919 CG LYS A 60 8.835 -15.492 -0.073 1.00 0.00 C ATOM 920 CD LYS A 60 9.671 -14.256 -0.411 1.00 0.00 C ATOM 921 CE LYS A 60 9.598 -13.221 0.713 1.00 0.00 C ATOM 922 NZ LYS A 60 10.950 -12.710 1.035 1.00 0.00 N ATOM 0 H LYS A 60 5.671 -16.830 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 60 7.257 -14.334 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.009 -17.179 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.059 -16.170 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.011 -15.210 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.446 -16.210 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.708 -14.548 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.314 -13.814 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.952 -12.395 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.151 -13.670 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.883 -12.008 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.555 -13.498 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.363 -12.264 0.191 1.00 0.00 H new ATOM 936 N SER A 61 6.047 -16.458 -3.769 1.00 0.00 N ATOM 937 CA SER A 61 5.770 -16.683 -5.178 1.00 0.00 C ATOM 938 C SER A 61 4.585 -15.823 -5.622 1.00 0.00 C ATOM 939 O SER A 61 3.860 -15.282 -4.788 1.00 0.00 O ATOM 940 CB SER A 61 5.488 -18.161 -5.455 1.00 0.00 C ATOM 941 OG SER A 61 6.592 -18.807 -6.083 1.00 0.00 O ATOM 0 H SER A 61 5.560 -17.089 -3.132 1.00 0.00 H new ATOM 0 HA SER A 61 6.652 -16.397 -5.750 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.257 -18.668 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.607 -18.249 -6.091 1.00 0.00 H new ATOM 0 HG SER A 61 6.373 -19.749 -6.241 1.00 0.00 H new ATOM 947 N PRO A 62 4.420 -15.722 -6.968 1.00 0.00 N ATOM 948 CA PRO A 62 3.335 -14.937 -7.532 1.00 0.00 C ATOM 949 C PRO A 62 1.998 -15.668 -7.388 1.00 0.00 C ATOM 950 O PRO A 62 0.961 -15.038 -7.186 1.00 0.00 O ATOM 951 CB PRO A 62 3.731 -14.703 -8.980 1.00 0.00 C ATOM 952 CG PRO A 62 4.787 -15.749 -9.299 1.00 0.00 C ATOM 953 CD PRO A 62 5.259 -16.349 -7.984 1.00 0.00 C ATOM 0 HA PRO A 62 3.188 -13.989 -7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.870 -14.803 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.124 -13.696 -9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.375 -16.523 -9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.622 -15.298 -9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.143 -17.433 -7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.315 -16.140 -7.810 1.00 0.00 H new ATOM 961 N SER A 63 2.066 -16.986 -7.499 1.00 0.00 N ATOM 962 CA SER A 63 0.874 -17.809 -7.384 1.00 0.00 C ATOM 963 C SER A 63 0.417 -17.868 -5.925 1.00 0.00 C ATOM 964 O SER A 63 -0.770 -18.031 -5.649 1.00 0.00 O ATOM 965 CB SER A 63 1.125 -19.220 -7.919 1.00 0.00 C ATOM 966 OG SER A 63 1.567 -19.207 -9.274 1.00 0.00 O ATOM 0 H SER A 63 2.928 -17.505 -7.667 1.00 0.00 H new ATOM 0 HA SER A 63 0.087 -17.356 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.872 -19.715 -7.299 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.209 -19.805 -7.842 1.00 0.00 H new ATOM 0 HG SER A 63 1.718 -20.126 -9.578 1.00 0.00 H new ATOM 972 N ASP A 64 1.384 -17.731 -5.030 1.00 0.00 N ATOM 973 CA ASP A 64 1.096 -17.766 -3.606 1.00 0.00 C ATOM 974 C ASP A 64 0.209 -16.575 -3.240 1.00 0.00 C ATOM 975 O ASP A 64 -0.761 -16.723 -2.498 1.00 0.00 O ATOM 976 CB ASP A 64 2.381 -17.669 -2.782 1.00 0.00 C ATOM 977 CG ASP A 64 2.653 -18.864 -1.865 1.00 0.00 C ATOM 978 OD1 ASP A 64 2.711 -19.991 -2.403 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.797 -18.623 -0.647 1.00 0.00 O ATOM 0 H ASP A 64 2.368 -17.596 -5.263 1.00 0.00 H new ATOM 0 HA ASP A 64 0.597 -18.710 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.224 -17.554 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.337 -16.766 -2.173 1.00 0.00 H new ATOM 984 N PHE A 65 0.572 -15.420 -3.777 1.00 0.00 N ATOM 985 CA PHE A 65 -0.179 -14.203 -3.516 1.00 0.00 C ATOM 986 C PHE A 65 -1.592 -14.297 -4.094 1.00 0.00 C ATOM 987 O PHE A 65 -2.479 -13.541 -3.701 1.00 0.00 O ATOM 988 CB PHE A 65 0.567 -13.060 -4.207 1.00 0.00 C ATOM 989 CG PHE A 65 1.834 -12.612 -3.476 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.766 -12.221 -2.175 1.00 0.00 C ATOM 991 CD2 PHE A 65 3.028 -12.604 -4.127 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.942 -11.805 -1.497 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.204 -12.188 -3.449 1.00 0.00 C ATOM 994 CZ PHE A 65 4.136 -11.797 -2.148 1.00 0.00 C ATOM 0 H PHE A 65 1.377 -15.301 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.265 -14.042 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.834 -13.372 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.105 -12.207 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.818 -12.227 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.082 -12.914 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.888 -11.495 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.152 -12.182 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.030 -11.480 -1.632 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.759 -15.233 -5.017 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.050 -15.436 -5.653 1.00 0.00 C ATOM 1006 C LEU A 66 -3.983 -16.161 -4.682 1.00 0.00 C ATOM 1007 O LEU A 66 -5.154 -16.380 -4.988 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.880 -16.153 -6.994 1.00 0.00 C ATOM 1009 CG LEU A 66 -2.101 -15.392 -8.068 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.690 -16.322 -9.211 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.895 -14.184 -8.569 1.00 0.00 C ATOM 0 H LEU A 66 -1.022 -15.859 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.514 -14.478 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.378 -17.103 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.870 -16.385 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.184 -15.011 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.138 -15.755 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.058 -17.120 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.581 -16.754 -9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.319 -13.661 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.840 -14.521 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.093 -13.508 -7.737 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.430 -16.512 -3.530 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.199 -17.208 -2.512 1.00 0.00 C ATOM 1025 C ALA A 67 -5.103 -16.207 -1.789 1.00 0.00 C ATOM 1026 O ALA A 67 -6.200 -16.556 -1.357 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.246 -17.929 -1.556 1.00 0.00 C ATOM 0 H ALA A 67 -2.459 -16.327 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.840 -17.964 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.823 -18.451 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.647 -18.649 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.589 -17.201 -1.080 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.608 -14.983 -1.680 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.356 -13.929 -1.016 1.00 0.00 C ATOM 1035 C PHE A 68 -6.233 -13.169 -2.013 1.00 0.00 C ATOM 1036 O PHE A 68 -5.778 -12.219 -2.648 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.333 -12.963 -0.415 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.234 -13.649 0.399 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.471 -14.018 1.686 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.020 -13.889 -0.165 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -2.450 -14.654 2.441 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -0.999 -14.525 0.590 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.236 -14.894 1.877 1.00 0.00 C ATOM 0 H PHE A 68 -3.698 -14.697 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.006 -14.358 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.872 -12.391 -1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.854 -12.250 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.435 -13.828 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.832 -13.596 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.638 -14.947 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.035 -14.715 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.460 -15.378 2.452 1.00 0.00 H new ATOM 1053 N THR A 69 -7.476 -13.616 -2.120 1.00 0.00 N ATOM 1054 CA THR A 69 -8.421 -12.989 -3.029 1.00 0.00 C ATOM 1055 C THR A 69 -9.535 -12.294 -2.244 1.00 0.00 C ATOM 1056 O THR A 69 -10.709 -12.408 -2.593 1.00 0.00 O ATOM 1057 CB THR A 69 -8.934 -14.063 -3.991 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.592 -15.001 -3.145 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.800 -14.867 -4.629 1.00 0.00 C ATOM 0 H THR A 69 -7.850 -14.405 -1.592 1.00 0.00 H new ATOM 0 HA THR A 69 -7.944 -12.205 -3.618 1.00 0.00 H new ATOM 0 HB THR A 69 -9.531 -13.594 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.957 -15.731 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.218 -15.615 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.150 -14.196 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.222 -15.363 -3.849 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.128 -11.589 -1.199 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.077 -10.875 -0.362 1.00 0.00 C ATOM 1069 C ASP A 70 -10.196 -9.430 -0.851 1.00 0.00 C ATOM 1070 O ASP A 70 -11.301 -8.923 -1.039 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.612 -10.845 1.095 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.971 -12.140 1.596 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -7.976 -12.560 0.968 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -9.491 -12.681 2.596 1.00 0.00 O ATOM 0 H ASP A 70 -8.153 -11.497 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.036 -11.390 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.895 -10.033 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.468 -10.612 1.729 1.00 0.00 H new ATOM 1079 N MET A 71 -9.042 -8.807 -1.042 1.00 0.00 N ATOM 1080 CA MET A 71 -9.003 -7.431 -1.505 1.00 0.00 C ATOM 1081 C MET A 71 -8.401 -7.341 -2.909 1.00 0.00 C ATOM 1082 O MET A 71 -7.693 -6.386 -3.226 1.00 0.00 O ATOM 1083 CB MET A 71 -8.168 -6.590 -0.538 1.00 0.00 C ATOM 1084 CG MET A 71 -8.859 -6.471 0.822 1.00 0.00 C ATOM 1085 SD MET A 71 -7.791 -5.631 1.979 1.00 0.00 S ATOM 1086 CE MET A 71 -7.663 -4.039 1.183 1.00 0.00 C ATOM 0 H MET A 71 -8.127 -9.230 -0.884 1.00 0.00 H new ATOM 0 HA MET A 71 -10.024 -7.052 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.185 -7.043 -0.412 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.010 -5.597 -0.958 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.796 -5.924 0.716 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.110 -7.462 1.200 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.930 -3.427 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.348 -4.174 0.148 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.633 -3.542 1.205 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.704 -8.349 -3.714 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.202 -8.397 -5.076 1.00 0.00 C ATOM 1098 C ALA A 72 -9.116 -7.568 -5.981 1.00 0.00 C ATOM 1099 O ALA A 72 -8.661 -6.992 -6.968 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.097 -9.854 -5.531 1.00 0.00 C ATOM 0 H ALA A 72 -9.291 -9.139 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.203 -7.965 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.720 -9.890 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.414 -10.392 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.082 -10.320 -5.491 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.388 -7.535 -5.612 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.370 -6.786 -6.379 1.00 0.00 C ATOM 1108 C ASP A 73 -11.230 -5.296 -6.061 1.00 0.00 C ATOM 1109 O ASP A 73 -11.354 -4.889 -4.907 1.00 0.00 O ATOM 1110 CB ASP A 73 -12.794 -7.214 -6.017 1.00 0.00 C ATOM 1111 CG ASP A 73 -13.903 -6.384 -6.666 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.616 -5.781 -7.723 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.013 -6.372 -6.091 1.00 0.00 O ATOM 0 H ASP A 73 -10.762 -8.014 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.192 -6.981 -7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.927 -8.257 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.909 -7.163 -4.934 1.00 0.00 H new ATOM 1118 N PRO A 74 -10.966 -4.502 -7.134 1.00 0.00 N ATOM 1119 CA PRO A 74 -10.808 -3.066 -6.981 1.00 0.00 C ATOM 1120 C PRO A 74 -12.161 -2.385 -6.766 1.00 0.00 C ATOM 1121 O PRO A 74 -12.223 -1.266 -6.259 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.109 -2.610 -8.252 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.319 -3.723 -9.265 1.00 0.00 C ATOM 1124 CD PRO A 74 -10.813 -4.949 -8.515 1.00 0.00 C ATOM 0 HA PRO A 74 -10.222 -2.799 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.527 -1.670 -8.612 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.047 -2.439 -8.074 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.044 -3.420 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.388 -3.944 -9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.758 -5.308 -8.922 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.102 -5.771 -8.588 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.211 -3.089 -7.162 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.560 -2.566 -7.018 1.00 0.00 C ATOM 1134 C ASN A 75 -15.148 -3.043 -5.689 1.00 0.00 C ATOM 1135 O ASN A 75 -16.334 -2.849 -5.426 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.467 -3.067 -8.144 1.00 0.00 C ATOM 1137 CG ASN A 75 -14.910 -2.674 -9.513 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -14.819 -1.509 -9.864 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -14.543 -3.708 -10.265 1.00 0.00 N ATOM 0 H ASN A 75 -13.156 -4.017 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.506 -1.478 -7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.562 -4.151 -8.084 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.467 -2.652 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.158 -3.550 -11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.646 -4.659 -9.910 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.292 -3.657 -4.886 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.712 -4.163 -3.590 1.00 0.00 C ATOM 1148 C LEU A 76 -14.509 -3.076 -2.533 1.00 0.00 C ATOM 1149 O LEU A 76 -13.519 -2.348 -2.568 1.00 0.00 O ATOM 1150 CB LEU A 76 -13.994 -5.476 -3.269 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.143 -5.988 -1.835 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.024 -7.238 -1.788 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.775 -6.226 -1.193 1.00 0.00 C ATOM 0 H LEU A 76 -13.309 -3.816 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.775 -4.403 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.363 -6.244 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.932 -5.347 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.644 -5.219 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.114 -7.581 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.013 -7.001 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.573 -8.024 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.909 -6.590 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.225 -6.967 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.215 -5.291 -1.174 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.464 -3.001 -1.617 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.402 -2.016 -0.551 1.00 0.00 C ATOM 1167 C ARG A 77 -14.737 -2.615 0.689 1.00 0.00 C ATOM 1168 O ARG A 77 -14.812 -3.822 0.916 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.800 -1.517 -0.181 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.404 -0.686 -1.314 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.093 -1.584 -2.345 1.00 0.00 C ATOM 1172 NE ARG A 77 -19.501 -1.164 -2.521 1.00 0.00 N ATOM 1173 CZ ARG A 77 -20.295 -1.593 -3.512 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -19.823 -2.456 -4.422 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -21.560 -1.158 -3.593 1.00 0.00 N ATOM 0 H ARG A 77 -16.285 -3.606 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.811 -1.174 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.447 -2.367 0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.747 -0.916 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.124 0.024 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.621 -0.103 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.566 -1.528 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.053 -2.623 -2.019 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.892 -0.507 -1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.860 -2.786 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.427 -2.783 -5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.919 -0.500 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.164 -1.484 -4.347 1.00 0.00 H new ATOM 1189 N ILE A 78 -14.101 -1.745 1.460 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.423 -2.174 2.671 1.00 0.00 C ATOM 1191 C ILE A 78 -14.464 -2.550 3.727 1.00 0.00 C ATOM 1192 O ILE A 78 -14.144 -3.220 4.709 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.432 -1.105 3.138 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.142 0.224 3.400 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.280 -0.953 2.142 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.476 0.985 4.548 1.00 0.00 C ATOM 0 H ILE A 78 -14.041 -0.745 1.269 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.827 -3.066 2.478 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.999 -1.430 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.125 0.834 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.189 0.040 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.590 -0.187 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.752 -1.902 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.676 -0.661 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.000 1.926 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.516 0.383 5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.436 1.189 4.294 1.00 0.00 H new ATOM 1208 N SER A 79 -15.688 -2.103 3.491 1.00 0.00 N ATOM 1209 CA SER A 79 -16.778 -2.384 4.409 1.00 0.00 C ATOM 1210 C SER A 79 -17.041 -3.890 4.464 1.00 0.00 C ATOM 1211 O SER A 79 -17.648 -4.384 5.413 1.00 0.00 O ATOM 1212 CB SER A 79 -18.050 -1.638 4.000 1.00 0.00 C ATOM 1213 OG SER A 79 -19.116 -1.856 4.920 1.00 0.00 O ATOM 0 H SER A 79 -15.949 -1.548 2.676 1.00 0.00 H new ATOM 0 HA SER A 79 -16.488 -2.036 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.839 -0.570 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 79 -18.357 -1.963 3.006 1.00 0.00 H new ATOM 0 HG SER A 79 -19.909 -1.362 4.625 1.00 0.00 H new ATOM 1219 N SER A 80 -16.571 -4.579 3.434 1.00 0.00 N ATOM 1220 CA SER A 80 -16.747 -6.019 3.353 1.00 0.00 C ATOM 1221 C SER A 80 -15.982 -6.704 4.487 1.00 0.00 C ATOM 1222 O SER A 80 -16.442 -7.705 5.034 1.00 0.00 O ATOM 1223 CB SER A 80 -16.282 -6.555 1.998 1.00 0.00 C ATOM 1224 OG SER A 80 -16.235 -7.979 1.975 1.00 0.00 O ATOM 0 H SER A 80 -16.068 -4.166 2.648 1.00 0.00 H new ATOM 0 HA SER A 80 -17.809 -6.240 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.956 -6.202 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.294 -6.156 1.770 1.00 0.00 H new ATOM 0 HG SER A 80 -16.092 -8.287 1.056 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.827 -6.138 4.805 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.994 -6.682 5.864 1.00 0.00 C ATOM 1232 C LEU A 81 -14.347 -6.000 7.187 1.00 0.00 C ATOM 1233 O LEU A 81 -14.158 -6.578 8.256 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.514 -6.572 5.490 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.185 -6.714 4.003 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.675 -6.642 3.766 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.794 -7.994 3.427 1.00 0.00 C ATOM 0 H LEU A 81 -14.448 -5.308 4.348 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.189 -7.747 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.144 -5.606 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.964 -7.337 6.038 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.635 -5.875 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.469 -6.746 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.297 -5.682 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.182 -7.447 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.545 -8.071 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.394 -8.858 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.877 -7.966 3.544 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.853 -4.781 7.071 1.00 0.00 N ATOM 1250 CA ASN A 82 -15.235 -4.015 8.245 1.00 0.00 C ATOM 1251 C ASN A 82 -13.985 -3.387 8.866 1.00 0.00 C ATOM 1252 O ASN A 82 -13.820 -3.403 10.085 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.888 -4.910 9.299 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.896 -4.123 10.139 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.631 -3.282 9.647 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.889 -4.440 11.430 1.00 0.00 N ATOM 0 H ASN A 82 -15.007 -4.305 6.182 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.946 -3.250 7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.390 -5.746 8.811 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.121 -5.333 9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.525 -3.970 12.074 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.248 -5.154 11.776 1.00 0.00 H new ATOM 1263 N LEU A 83 -13.139 -2.849 8.001 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.910 -2.217 8.450 1.00 0.00 C ATOM 1265 C LEU A 83 -12.244 -0.890 9.133 1.00 0.00 C ATOM 1266 O LEU A 83 -13.101 -0.144 8.662 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.923 -2.080 7.289 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.413 -3.389 6.683 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -10.724 -4.574 7.599 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -10.967 -3.593 5.272 1.00 0.00 C ATOM 0 H LEU A 83 -13.280 -2.837 6.991 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.410 -2.840 9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.400 -1.499 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.064 -1.504 7.634 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.328 -3.326 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.351 -5.492 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.241 -4.424 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.802 -4.651 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.589 -4.531 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.056 -3.627 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.652 -2.767 4.634 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.551 -0.637 10.234 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.763 0.587 10.987 1.00 0.00 C ATOM 1284 C ALA A 84 -10.410 1.161 11.412 1.00 0.00 C ATOM 1285 O ALA A 84 -9.383 0.495 11.289 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.676 0.301 12.181 1.00 0.00 C ATOM 0 H ALA A 84 -10.842 -1.259 10.622 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.259 1.336 10.369 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.835 1.220 12.746 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.634 -0.076 11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.210 -0.445 12.825 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.452 2.391 11.903 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.242 3.062 12.347 1.00 0.00 C ATOM 1294 C HIS A 85 -8.569 2.234 13.444 1.00 0.00 C ATOM 1295 O HIS A 85 -8.884 2.386 14.623 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.546 4.495 12.788 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.316 5.321 13.082 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.283 6.696 12.929 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.079 4.952 13.521 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.075 7.124 13.264 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.330 6.042 13.630 1.00 0.00 N ATOM 0 H HIS A 85 -11.305 2.941 12.003 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.540 3.140 11.517 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.125 4.989 12.008 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.173 4.465 13.679 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -9.057 7.280 12.612 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.762 3.943 13.742 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.739 8.150 13.250 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.656 1.375 13.016 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.936 0.523 13.946 1.00 0.00 C ATOM 1311 C GLY A 86 -6.840 -0.910 13.417 1.00 0.00 C ATOM 1312 O GLY A 86 -6.019 -1.696 13.888 1.00 0.00 O ATOM 0 H GLY A 86 -7.398 1.251 12.037 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.935 0.922 14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.441 0.525 14.912 1.00 0.00 H new ATOM 1316 N SER A 87 -7.690 -1.205 12.444 1.00 0.00 N ATOM 1317 CA SER A 87 -7.711 -2.529 11.846 1.00 0.00 C ATOM 1318 C SER A 87 -6.303 -2.922 11.395 1.00 0.00 C ATOM 1319 O SER A 87 -5.387 -2.102 11.423 1.00 0.00 O ATOM 1320 CB SER A 87 -8.681 -2.583 10.663 1.00 0.00 C ATOM 1321 OG SER A 87 -10.041 -2.586 11.088 1.00 0.00 O ATOM 0 H SER A 87 -8.369 -0.550 12.055 1.00 0.00 H new ATOM 0 HA SER A 87 -8.056 -3.239 12.598 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.507 -1.727 10.012 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.484 -3.478 10.073 1.00 0.00 H new ATOM 0 HG SER A 87 -10.123 -2.083 11.925 1.00 0.00 H new ATOM 1327 N MET A 88 -6.174 -4.178 10.991 1.00 0.00 N ATOM 1328 CA MET A 88 -4.893 -4.690 10.536 1.00 0.00 C ATOM 1329 C MET A 88 -4.990 -5.212 9.101 1.00 0.00 C ATOM 1330 O MET A 88 -6.013 -5.770 8.708 1.00 0.00 O ATOM 1331 CB MET A 88 -4.437 -5.820 11.461 1.00 0.00 C ATOM 1332 CG MET A 88 -3.051 -6.330 11.062 1.00 0.00 C ATOM 1333 SD MET A 88 -1.807 -5.606 12.117 1.00 0.00 S ATOM 1334 CE MET A 88 -0.710 -4.927 10.883 1.00 0.00 C ATOM 0 H MET A 88 -6.936 -4.856 10.970 1.00 0.00 H new ATOM 0 HA MET A 88 -4.169 -3.876 10.558 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.415 -5.465 12.491 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.155 -6.639 11.422 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.018 -7.417 11.140 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.848 -6.079 10.021 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.324 -5.100 11.181 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.897 -5.411 9.924 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.886 -3.855 10.789 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.911 -5.012 8.359 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.862 -5.456 6.976 1.00 0.00 C ATOM 1346 C VAL A 89 -2.414 -5.776 6.599 1.00 0.00 C ATOM 1347 O VAL A 89 -1.482 -5.332 7.268 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.498 -4.404 6.065 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -3.748 -3.073 6.158 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -4.563 -4.897 4.619 1.00 0.00 C ATOM 0 H VAL A 89 -3.064 -4.549 8.689 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.442 -6.370 6.848 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.519 -4.238 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.220 -2.343 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.778 -2.710 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.711 -3.218 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.019 -4.130 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.555 -5.106 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.161 -5.807 4.571 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.270 -6.544 5.529 1.00 0.00 N ATOM 1361 CA TYR A 90 -0.952 -6.928 5.055 1.00 0.00 C ATOM 1362 C TYR A 90 -0.772 -6.565 3.580 1.00 0.00 C ATOM 1363 O TYR A 90 -1.630 -6.868 2.753 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.876 -8.448 5.206 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.922 -8.933 6.657 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.228 -8.939 7.419 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.114 -9.363 7.203 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.185 -9.395 8.784 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.158 -9.818 8.568 1.00 0.00 C ATOM 1370 CZ TYR A 90 -1.006 -9.812 9.292 1.00 0.00 C ATOM 1371 OH TYR A 90 -1.047 -10.242 10.581 1.00 0.00 O ATOM 0 H TYR A 90 -3.045 -6.911 4.977 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.176 -6.412 5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.702 -8.899 4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.045 -8.803 4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.161 -8.602 6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.014 -9.358 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.078 -9.406 9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.085 -10.157 9.008 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.962 -10.508 10.808 1.00 0.00 H new ATOM 1381 N LEU A 91 0.350 -5.920 3.294 1.00 0.00 N ATOM 1382 CA LEU A 91 0.653 -5.512 1.933 1.00 0.00 C ATOM 1383 C LEU A 91 1.754 -6.412 1.369 1.00 0.00 C ATOM 1384 O LEU A 91 2.652 -6.831 2.098 1.00 0.00 O ATOM 1385 CB LEU A 91 0.992 -4.020 1.884 1.00 0.00 C ATOM 1386 CG LEU A 91 1.659 -3.526 0.598 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.619 -3.265 -0.493 1.00 0.00 C ATOM 1388 CD2 LEU A 91 2.527 -2.296 0.869 1.00 0.00 C ATOM 0 H LEU A 91 1.060 -5.670 3.982 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.221 -5.638 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.073 -3.454 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.649 -3.789 2.723 1.00 0.00 H new ATOM 0 HG LEU A 91 2.320 -4.312 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.119 -2.915 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.081 -4.187 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.085 -2.506 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.989 -1.965 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.907 -1.495 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.304 -2.551 1.590 1.00 0.00 H new ATOM 1400 N ALA A 92 1.649 -6.682 0.076 1.00 0.00 N ATOM 1401 CA ALA A 92 2.625 -7.525 -0.594 1.00 0.00 C ATOM 1402 C ALA A 92 2.837 -7.015 -2.021 1.00 0.00 C ATOM 1403 O ALA A 92 1.884 -6.896 -2.790 1.00 0.00 O ATOM 1404 CB ALA A 92 2.153 -8.980 -0.558 1.00 0.00 C ATOM 0 H ALA A 92 0.903 -6.332 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 92 3.586 -7.482 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.885 -9.612 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.045 -9.302 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.192 -9.063 -1.066 1.00 0.00 H new ATOM 1410 N TYR A 93 4.093 -6.729 -2.332 1.00 0.00 N ATOM 1411 CA TYR A 93 4.442 -6.235 -3.653 1.00 0.00 C ATOM 1412 C TYR A 93 5.756 -6.851 -4.139 1.00 0.00 C ATOM 1413 O TYR A 93 6.500 -7.435 -3.352 1.00 0.00 O ATOM 1414 CB TYR A 93 4.626 -4.724 -3.504 1.00 0.00 C ATOM 1415 CG TYR A 93 5.583 -4.322 -2.380 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.191 -4.443 -1.062 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.840 -3.837 -2.683 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.091 -4.065 -0.005 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.740 -3.459 -1.625 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.322 -3.591 -0.338 1.00 0.00 C ATOM 1421 OH TYR A 93 8.172 -3.234 0.661 1.00 0.00 O ATOM 0 H TYR A 93 4.881 -6.830 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 93 3.668 -6.492 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.997 -4.319 -4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.654 -4.266 -3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.208 -4.822 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.148 -3.741 -3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.796 -4.156 1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.726 -3.079 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 93 9.014 -2.915 0.275 1.00 0.00 H new ATOM 1431 N GLU A 94 6.001 -6.701 -5.432 1.00 0.00 N ATOM 1432 CA GLU A 94 7.211 -7.235 -6.032 1.00 0.00 C ATOM 1433 C GLU A 94 8.237 -6.119 -6.241 1.00 0.00 C ATOM 1434 O GLU A 94 7.889 -5.025 -6.683 1.00 0.00 O ATOM 1435 CB GLU A 94 6.902 -7.949 -7.349 1.00 0.00 C ATOM 1436 CG GLU A 94 7.006 -6.986 -8.533 1.00 0.00 C ATOM 1437 CD GLU A 94 6.539 -7.655 -9.827 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.609 -8.484 -9.734 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.123 -7.321 -10.881 1.00 0.00 O ATOM 0 H GLU A 94 5.381 -6.217 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 94 7.637 -7.971 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.595 -8.778 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.899 -8.375 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.402 -6.100 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.037 -6.651 -8.644 1.00 0.00 H new ATOM 1446 N GLY A 95 9.482 -6.434 -5.915 1.00 0.00 N ATOM 1447 CA GLY A 95 10.561 -5.472 -6.061 1.00 0.00 C ATOM 1448 C GLY A 95 10.377 -4.292 -5.104 1.00 0.00 C ATOM 1449 O GLY A 95 9.398 -4.237 -4.363 1.00 0.00 O ATOM 0 H GLY A 95 9.768 -7.343 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.516 -5.959 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.594 -5.110 -7.089 1.00 0.00 H new ATOM 1453 N GLU A 96 11.335 -3.378 -5.152 1.00 0.00 N ATOM 1454 CA GLU A 96 11.291 -2.203 -4.299 1.00 0.00 C ATOM 1455 C GLU A 96 10.154 -1.275 -4.731 1.00 0.00 C ATOM 1456 O GLU A 96 9.355 -1.629 -5.596 1.00 0.00 O ATOM 1457 CB GLU A 96 12.633 -1.468 -4.309 1.00 0.00 C ATOM 1458 CG GLU A 96 13.535 -1.958 -3.174 1.00 0.00 C ATOM 1459 CD GLU A 96 14.218 -0.783 -2.471 1.00 0.00 C ATOM 1460 OE1 GLU A 96 15.046 -0.126 -3.138 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.898 -0.570 -1.282 1.00 0.00 O ATOM 0 H GLU A 96 12.146 -3.428 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 96 11.099 -2.528 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.130 -1.624 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.465 -0.396 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.944 -2.524 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.289 -2.637 -3.571 1.00 0.00 H new ATOM 1468 N ARG A 97 10.119 -0.106 -4.109 1.00 0.00 N ATOM 1469 CA ARG A 97 9.093 0.875 -4.419 1.00 0.00 C ATOM 1470 C ARG A 97 9.552 1.779 -5.565 1.00 0.00 C ATOM 1471 O ARG A 97 10.533 1.477 -6.243 1.00 0.00 O ATOM 1472 CB ARG A 97 8.769 1.738 -3.197 1.00 0.00 C ATOM 1473 CG ARG A 97 8.508 0.869 -1.966 1.00 0.00 C ATOM 1474 CD ARG A 97 7.964 1.708 -0.807 1.00 0.00 C ATOM 1475 NE ARG A 97 8.777 1.479 0.408 1.00 0.00 N ATOM 1476 CZ ARG A 97 8.630 2.164 1.550 1.00 0.00 C ATOM 1477 NH1 ARG A 97 7.700 3.125 1.640 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.412 1.888 2.603 1.00 0.00 N ATOM 0 H ARG A 97 10.784 0.184 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 97 8.195 0.333 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.597 2.418 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.894 2.354 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.796 0.083 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.432 0.377 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.982 2.765 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.924 1.445 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 97 9.494 0.754 0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.104 3.335 0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.588 3.647 2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.119 1.156 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.300 2.410 3.472 1.00 0.00 H new ATOM 1492 N THR A 98 8.820 2.868 -5.747 1.00 0.00 N ATOM 1493 CA THR A 98 9.139 3.817 -6.800 1.00 0.00 C ATOM 1494 C THR A 98 9.527 5.170 -6.199 1.00 0.00 C ATOM 1495 O THR A 98 9.631 5.305 -4.981 1.00 0.00 O ATOM 1496 CB THR A 98 7.939 3.895 -7.746 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.816 4.000 -6.875 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.704 2.585 -8.502 1.00 0.00 C ATOM 0 H THR A 98 8.007 3.114 -5.183 1.00 0.00 H new ATOM 0 HA THR A 98 10.005 3.492 -7.376 1.00 0.00 H new ATOM 0 HB THR A 98 8.092 4.704 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.603 3.117 -6.508 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.841 2.694 -9.159 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.585 2.345 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.518 1.782 -7.789 1.00 0.00 H new ATOM 1506 N ILE A 99 9.731 6.136 -7.082 1.00 0.00 N ATOM 1507 CA ILE A 99 10.106 7.474 -6.654 1.00 0.00 C ATOM 1508 C ILE A 99 8.841 8.283 -6.359 1.00 0.00 C ATOM 1509 O ILE A 99 7.842 8.159 -7.066 1.00 0.00 O ATOM 1510 CB ILE A 99 11.028 8.127 -7.684 1.00 0.00 C ATOM 1511 CG1 ILE A 99 12.342 7.353 -7.813 1.00 0.00 C ATOM 1512 CG2 ILE A 99 11.262 9.603 -7.353 1.00 0.00 C ATOM 1513 CD1 ILE A 99 12.637 7.012 -9.275 1.00 0.00 C ATOM 0 H ILE A 99 9.644 6.020 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 99 10.681 7.432 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 99 10.535 8.089 -8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.159 7.946 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.287 6.436 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.921 10.044 -8.101 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.309 10.131 -7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.723 9.687 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.576 6.462 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.830 6.399 -9.676 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.715 7.932 -9.854 1.00 0.00 H new ATOM 1525 N ARG A 100 8.926 9.094 -5.315 1.00 0.00 N ATOM 1526 CA ARG A 100 7.801 9.924 -4.919 1.00 0.00 C ATOM 1527 C ARG A 100 7.420 10.879 -6.052 1.00 0.00 C ATOM 1528 O ARG A 100 8.286 11.351 -6.787 1.00 0.00 O ATOM 1529 CB ARG A 100 8.131 10.737 -3.665 1.00 0.00 C ATOM 1530 CG ARG A 100 7.948 9.894 -2.401 1.00 0.00 C ATOM 1531 CD ARG A 100 9.196 9.953 -1.518 1.00 0.00 C ATOM 1532 NE ARG A 100 10.017 8.738 -1.721 1.00 0.00 N ATOM 1533 CZ ARG A 100 11.320 8.654 -1.422 1.00 0.00 C ATOM 1534 NH1 ARG A 100 11.958 9.712 -0.903 1.00 0.00 N ATOM 1535 NH2 ARG A 100 11.985 7.511 -1.640 1.00 0.00 N ATOM 0 H ARG A 100 9.756 9.194 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 100 6.963 9.263 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.158 11.097 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.487 11.615 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.085 10.254 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.741 8.860 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 100 9.780 10.841 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.907 10.036 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 100 9.562 7.913 -2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.451 10.581 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.950 9.648 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.499 6.705 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.977 7.447 -1.412 1.00 0.00 H new ATOM 1549 N GLY A 101 6.125 11.134 -6.158 1.00 0.00 N ATOM 1550 CA GLY A 101 5.619 12.024 -7.189 1.00 0.00 C ATOM 1551 C GLY A 101 4.245 12.580 -6.808 1.00 0.00 C ATOM 1552 O GLY A 101 3.474 11.918 -6.115 1.00 0.00 O ATOM 0 H GLY A 101 5.410 10.740 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.319 12.846 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.548 11.487 -8.135 1.00 0.00 H new ATOM 1556 N SER A 102 3.982 13.791 -7.277 1.00 0.00 N ATOM 1557 CA SER A 102 2.714 14.443 -6.995 1.00 0.00 C ATOM 1558 C SER A 102 2.372 15.429 -8.114 1.00 0.00 C ATOM 1559 O SER A 102 3.262 16.059 -8.685 1.00 0.00 O ATOM 1560 CB SER A 102 2.755 15.165 -5.646 1.00 0.00 C ATOM 1561 OG SER A 102 3.700 16.232 -5.640 1.00 0.00 O ATOM 0 H SER A 102 4.625 14.338 -7.850 1.00 0.00 H new ATOM 0 HA SER A 102 1.939 13.678 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.765 15.557 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.008 14.452 -4.861 1.00 0.00 H new ATOM 0 HG SER A 102 3.695 16.669 -4.763 1.00 0.00 H new ATOM 1567 N GLY A 103 1.082 15.532 -8.394 1.00 0.00 N ATOM 1568 CA GLY A 103 0.611 16.430 -9.435 1.00 0.00 C ATOM 1569 C GLY A 103 -0.678 17.135 -9.009 1.00 0.00 C ATOM 1570 O GLY A 103 -1.754 16.538 -9.034 1.00 0.00 O ATOM 0 H GLY A 103 0.347 15.008 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.379 17.171 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.436 15.869 -10.353 1.00 0.00 H new ATOM 1574 N PRO A 104 -0.524 18.428 -8.617 1.00 0.00 N ATOM 1575 CA PRO A 104 -1.663 19.221 -8.186 1.00 0.00 C ATOM 1576 C PRO A 104 -2.517 19.648 -9.382 1.00 0.00 C ATOM 1577 O PRO A 104 -2.190 19.338 -10.526 1.00 0.00 O ATOM 1578 CB PRO A 104 -1.062 20.397 -7.435 1.00 0.00 C ATOM 1579 CG PRO A 104 0.393 20.470 -7.869 1.00 0.00 C ATOM 1580 CD PRO A 104 0.734 19.168 -8.575 1.00 0.00 C ATOM 0 HA PRO A 104 -2.346 18.664 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.587 21.322 -7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -1.141 20.254 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.551 21.318 -8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 104 1.042 20.618 -7.006 1.00 0.00 H new ATOM 0 HD2 PRO A 104 1.119 19.351 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.501 18.614 -8.035 1.00 0.00 H new ATOM 1588 N SER A 105 -3.596 20.355 -9.075 1.00 0.00 N ATOM 1589 CA SER A 105 -4.499 20.828 -10.110 1.00 0.00 C ATOM 1590 C SER A 105 -5.210 22.100 -9.643 1.00 0.00 C ATOM 1591 O SER A 105 -5.067 22.507 -8.491 1.00 0.00 O ATOM 1592 CB SER A 105 -5.523 19.753 -10.481 1.00 0.00 C ATOM 1593 OG SER A 105 -4.912 18.626 -11.102 1.00 0.00 O ATOM 0 H SER A 105 -3.864 20.611 -8.125 1.00 0.00 H new ATOM 0 HA SER A 105 -3.911 21.054 -11.000 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.051 19.430 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.268 20.178 -11.154 1.00 0.00 H new ATOM 0 HG SER A 105 -3.942 18.758 -11.137 1.00 0.00 H new ATOM 1599 N SER A 106 -5.960 22.691 -10.561 1.00 0.00 N ATOM 1600 CA SER A 106 -6.693 23.909 -10.257 1.00 0.00 C ATOM 1601 C SER A 106 -8.157 23.577 -9.961 1.00 0.00 C ATOM 1602 O SER A 106 -8.722 22.659 -10.554 1.00 0.00 O ATOM 1603 CB SER A 106 -6.598 24.911 -11.409 1.00 0.00 C ATOM 1604 OG SER A 106 -6.918 26.236 -10.991 1.00 0.00 O ATOM 0 H SER A 106 -6.076 22.350 -11.515 1.00 0.00 H new ATOM 0 HA SER A 106 -6.245 24.368 -9.375 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.589 24.895 -11.822 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.275 24.610 -12.209 1.00 0.00 H new ATOM 0 HG SER A 106 -6.844 26.847 -11.754 1.00 0.00 H new ATOM 1610 N GLY A 107 -8.731 24.344 -9.045 1.00 0.00 N ATOM 1611 CA GLY A 107 -10.119 24.143 -8.664 1.00 0.00 C ATOM 1612 C GLY A 107 -10.936 25.419 -8.877 1.00 0.00 C ATOM 1613 O GLY A 107 -11.289 26.102 -7.917 1.00 0.00 O ATOM 0 H GLY A 107 -8.260 25.105 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.547 23.331 -9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.173 23.843 -7.618 1.00 0.00 H new TER 1617 GLY A 107