USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1036 hydrogens (44 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 74 SER OG : rot -95:sc= -1.09 USER MOD Set 1.2: A 88 GLN : amide:sc= -21.1! C(o=-22!,f=-24!) USER MOD Set 2.1: A 71 MET CE :methyl -159:sc= 0 (180deg=-0.555) USER MOD Set 2.2: A 87 CYS SG : rot 13:sc= 0.0103 USER MOD Set 3.1: A 45 GLN : amide:sc= -6.7! C(o=-7!,f=-6.9!) USER MOD Set 3.2: A 47 GLN : amide:sc= -0.345 K(o=-7,f=-6.5) USER MOD Set 4.1: A 39 HIS : no HD1:sc= -4.42! C(o=-13!,f=-13!) USER MOD Set 4.2: A 123 HIS : no HD1:sc= -8.09! C(o=-13!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.139 (180deg=-0.362) USER MOD Single : A 2 SER OG : rot -37:sc= -0.194! USER MOD Single : A 4 GLN : amide:sc= -7.56! C(o=-7.6!,f=-3.5!) USER MOD Single : A 5 HIS : no HD1:sc= -5.44! C(o=-5.4!,f=-4.1!) USER MOD Single : A 12 HIS : no HD1:sc= -3.26 K(o=-3.3,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0736 USER MOD Single : A 24 GLN : amide:sc= -16! C(o=-16!,f=-15!) USER MOD Single : A 34 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-6.6!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 50 ASN : amide:sc= -5.56! C(o=-5.6!,f=-4.3!) USER MOD Single : A 54 GLN : amide:sc= -2.64! C(o=-2.6!,f=-7.4!) USER MOD Single : A 62 TYR OH : rot 31:sc= 0.787 USER MOD Single : A 89 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-8.1!) USER MOD Single : A 94 SER OG : rot 39:sc= -5.47! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=0) USER MOD Single : A 105 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.5) USER MOD Single : A 121 SER OG : rot -96:sc= 1.16 USER MOD Single : A 501 C2E O2' : rot 180:sc= -0.177 USER MOD Single : A 501 C2E O2A : rot -19:sc= 0.309 USER MOD Single : A 502 C2E O2' : rot -112:sc= -2.28! USER MOD Single : A 502 C2E O2A : rot -18:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.761 27.299 3.810 1.00 0.00 N ATOM 2 CA MET A 1 115.192 27.270 4.223 1.00 0.00 C ATOM 3 C MET A 1 115.315 26.542 5.558 1.00 0.00 C ATOM 4 O MET A 1 116.292 26.716 6.286 1.00 0.00 O ATOM 5 CB MET A 1 115.711 28.706 4.355 1.00 0.00 C ATOM 6 CG MET A 1 117.241 28.708 4.426 1.00 0.00 C ATOM 7 SD MET A 1 117.859 30.356 4.006 1.00 0.00 S ATOM 8 CE MET A 1 119.611 29.919 3.894 1.00 0.00 C ATOM 0 H1 MET A 1 113.642 27.961 3.016 1.00 0.00 H new ATOM 0 H2 MET A 1 113.466 26.347 3.514 1.00 0.00 H new ATOM 0 H3 MET A 1 113.175 27.610 4.611 1.00 0.00 H new ATOM 0 HA MET A 1 115.785 26.745 3.474 1.00 0.00 H new ATOM 0 HB2 MET A 1 115.378 29.301 3.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.297 29.170 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 117.570 28.428 5.427 1.00 0.00 H new ATOM 0 HG3 MET A 1 117.649 27.968 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 1 120.192 30.806 3.639 1.00 0.00 H new ATOM 0 HE2 MET A 1 119.950 29.526 4.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 119.748 29.161 3.123 1.00 0.00 H new ATOM 18 N SER A 2 114.317 25.721 5.869 1.00 0.00 N ATOM 19 CA SER A 2 114.320 24.965 7.115 1.00 0.00 C ATOM 20 C SER A 2 113.210 23.928 7.117 1.00 0.00 C ATOM 21 O SER A 2 112.823 23.427 8.173 1.00 0.00 O ATOM 22 CB SER A 2 114.131 25.902 8.307 1.00 0.00 C ATOM 23 OG SER A 2 114.932 27.062 8.130 1.00 0.00 O ATOM 0 H SER A 2 113.500 25.563 5.279 1.00 0.00 H new ATOM 0 HA SER A 2 115.282 24.460 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 113.082 26.182 8.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 114.408 25.393 9.230 1.00 0.00 H new ATOM 0 HG SER A 2 115.782 26.812 7.712 1.00 0.00 H new ATOM 29 N ASP A 3 112.706 23.593 5.933 1.00 0.00 N ATOM 30 CA ASP A 3 111.651 22.596 5.840 1.00 0.00 C ATOM 31 C ASP A 3 112.257 21.248 5.477 1.00 0.00 C ATOM 32 O ASP A 3 112.710 21.036 4.352 1.00 0.00 O ATOM 33 CB ASP A 3 110.600 23.004 4.806 1.00 0.00 C ATOM 34 CG ASP A 3 109.845 24.239 5.286 1.00 0.00 C ATOM 35 OD1 ASP A 3 109.930 24.540 6.466 1.00 0.00 O ATOM 36 OD2 ASP A 3 109.193 24.866 4.468 1.00 0.00 O ATOM 0 H ASP A 3 113.005 23.990 5.042 1.00 0.00 H new ATOM 0 HA ASP A 3 111.155 22.520 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 3 111.080 23.211 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 3 109.902 22.183 4.641 1.00 0.00 H new ATOM 41 N GLN A 4 112.248 20.340 6.443 1.00 0.00 N ATOM 42 CA GLN A 4 112.787 18.999 6.240 1.00 0.00 C ATOM 43 C GLN A 4 111.651 17.984 6.208 1.00 0.00 C ATOM 44 O GLN A 4 111.877 16.781 6.334 1.00 0.00 O ATOM 45 CB GLN A 4 113.770 18.639 7.363 1.00 0.00 C ATOM 46 CG GLN A 4 114.346 19.918 7.977 1.00 0.00 C ATOM 47 CD GLN A 4 113.340 20.533 8.945 1.00 0.00 C ATOM 48 OE1 GLN A 4 113.641 21.528 9.605 1.00 0.00 O ATOM 49 NE2 GLN A 4 112.157 19.996 9.072 1.00 0.00 N ATOM 0 H GLN A 4 111.873 20.506 7.377 1.00 0.00 H new ATOM 0 HA GLN A 4 113.318 18.979 5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 4 113.262 18.053 8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 4 114.575 18.019 6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 4 115.275 19.693 8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 4 114.588 20.632 7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 4 111.910 19.172 8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 4 111.480 20.401 9.719 1.00 0.00 H new ATOM 58 N HIS A 5 110.428 18.485 6.060 1.00 0.00 N ATOM 59 CA HIS A 5 109.248 17.626 6.030 1.00 0.00 C ATOM 60 C HIS A 5 109.355 16.538 7.093 1.00 0.00 C ATOM 61 O HIS A 5 108.641 15.536 7.044 1.00 0.00 O ATOM 62 CB HIS A 5 109.075 16.989 4.642 1.00 0.00 C ATOM 63 CG HIS A 5 110.416 16.786 3.992 1.00 0.00 C ATOM 64 ND1 HIS A 5 110.939 17.687 3.078 1.00 0.00 N ATOM 65 CD2 HIS A 5 111.349 15.786 4.108 1.00 0.00 C ATOM 66 CE1 HIS A 5 112.136 17.215 2.682 1.00 0.00 C ATOM 67 NE2 HIS A 5 112.433 16.058 3.279 1.00 0.00 N ATOM 0 H HIS A 5 110.228 19.480 5.959 1.00 0.00 H new ATOM 0 HA HIS A 5 108.374 18.242 6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 5 108.559 16.033 4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 5 108.452 17.628 4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 5 111.256 14.920 4.746 1.00 0.00 H new ATOM 0 HE1 HIS A 5 112.777 17.711 1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 5 113.274 15.495 3.154 1.00 0.00 H new ATOM 75 N ASP A 6 110.248 16.745 8.057 1.00 0.00 N ATOM 76 CA ASP A 6 110.437 15.779 9.131 1.00 0.00 C ATOM 77 C ASP A 6 110.368 14.357 8.587 1.00 0.00 C ATOM 78 O ASP A 6 109.318 13.722 8.638 1.00 0.00 O ATOM 79 CB ASP A 6 109.349 15.967 10.192 1.00 0.00 C ATOM 80 CG ASP A 6 109.318 17.420 10.654 1.00 0.00 C ATOM 81 OD1 ASP A 6 109.451 18.292 9.810 1.00 0.00 O ATOM 82 OD2 ASP A 6 109.161 17.640 11.843 1.00 0.00 O ATOM 0 H ASP A 6 110.848 17.568 8.115 1.00 0.00 H new ATOM 0 HA ASP A 6 111.419 15.942 9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 6 108.378 15.686 9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 6 109.540 15.311 11.041 1.00 0.00 H new ATOM 87 N GLU A 7 111.480 13.858 8.057 1.00 0.00 N ATOM 88 CA GLU A 7 111.492 12.506 7.509 1.00 0.00 C ATOM 89 C GLU A 7 111.842 11.493 8.594 1.00 0.00 C ATOM 90 O GLU A 7 112.826 11.649 9.317 1.00 0.00 O ATOM 91 CB GLU A 7 112.457 12.424 6.307 1.00 0.00 C ATOM 92 CG GLU A 7 113.682 11.549 6.617 1.00 0.00 C ATOM 93 CD GLU A 7 114.579 12.241 7.637 1.00 0.00 C ATOM 94 OE1 GLU A 7 114.504 13.456 7.735 1.00 0.00 O ATOM 95 OE2 GLU A 7 115.330 11.548 8.305 1.00 0.00 O ATOM 0 H GLU A 7 112.368 14.357 7.995 1.00 0.00 H new ATOM 0 HA GLU A 7 110.494 12.259 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 111.929 12.018 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 7 112.786 13.427 6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 7 113.359 10.582 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 7 114.241 11.356 5.702 1.00 0.00 H new ATOM 102 N ARG A 8 111.009 10.463 8.713 1.00 0.00 N ATOM 103 CA ARG A 8 111.216 9.430 9.722 1.00 0.00 C ATOM 104 C ARG A 8 111.254 8.036 9.089 1.00 0.00 C ATOM 105 O ARG A 8 111.571 7.053 9.760 1.00 0.00 O ATOM 106 CB ARG A 8 110.078 9.465 10.746 1.00 0.00 C ATOM 107 CG ARG A 8 110.257 10.641 11.722 1.00 0.00 C ATOM 108 CD ARG A 8 109.782 11.965 11.098 1.00 0.00 C ATOM 109 NE ARG A 8 108.624 11.759 10.229 1.00 0.00 N ATOM 110 CZ ARG A 8 107.640 12.656 10.156 1.00 0.00 C ATOM 111 NH1 ARG A 8 107.664 13.724 10.907 1.00 0.00 N ATOM 112 NH2 ARG A 8 106.651 12.468 9.330 1.00 0.00 N ATOM 0 H ARG A 8 110.187 10.322 8.125 1.00 0.00 H new ATOM 0 HA ARG A 8 112.172 9.629 10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 8 109.122 9.557 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 8 110.053 8.527 11.301 1.00 0.00 H new ATOM 0 HG2 ARG A 8 109.696 10.446 12.636 1.00 0.00 H new ATOM 0 HG3 ARG A 8 111.307 10.726 12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 8 109.525 12.670 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 8 110.595 12.411 10.525 1.00 0.00 H new ATOM 0 HE ARG A 8 108.568 10.910 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 8 108.438 13.875 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 8 106.909 14.407 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 8 106.630 11.636 8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 8 105.897 13.153 9.273 1.00 0.00 H new ATOM 126 N ARG A 9 110.931 7.956 7.796 1.00 0.00 N ATOM 127 CA ARG A 9 110.937 6.667 7.096 1.00 0.00 C ATOM 128 C ARG A 9 112.071 6.624 6.088 1.00 0.00 C ATOM 129 O ARG A 9 111.940 7.124 4.973 1.00 0.00 O ATOM 130 CB ARG A 9 109.600 6.407 6.380 1.00 0.00 C ATOM 131 CG ARG A 9 109.017 7.712 5.847 1.00 0.00 C ATOM 132 CD ARG A 9 107.645 7.449 5.219 1.00 0.00 C ATOM 133 NE ARG A 9 106.829 8.664 5.270 1.00 0.00 N ATOM 134 CZ ARG A 9 106.435 9.296 4.161 1.00 0.00 C ATOM 135 NH1 ARG A 9 106.784 8.851 2.984 1.00 0.00 N ATOM 136 NH2 ARG A 9 105.700 10.370 4.256 1.00 0.00 N ATOM 0 H ARG A 9 110.666 8.754 7.219 1.00 0.00 H new ATOM 0 HA ARG A 9 111.081 5.886 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 9 109.751 5.707 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 9 108.896 5.942 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 9 108.924 8.437 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 9 109.689 8.146 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 9 107.765 7.125 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 9 107.142 6.641 5.750 1.00 0.00 H new ATOM 0 HE ARG A 9 106.554 9.038 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 9 107.362 8.014 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 9 106.478 9.340 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 9 105.429 10.723 5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 9 105.396 10.856 3.412 1.00 0.00 H new ATOM 150 N ARG A 10 113.181 6.023 6.510 1.00 0.00 N ATOM 151 CA ARG A 10 114.378 5.898 5.668 1.00 0.00 C ATOM 152 C ARG A 10 114.325 6.868 4.482 1.00 0.00 C ATOM 153 O ARG A 10 115.021 7.883 4.471 1.00 0.00 O ATOM 154 CB ARG A 10 114.547 4.448 5.161 1.00 0.00 C ATOM 155 CG ARG A 10 113.759 3.463 6.041 1.00 0.00 C ATOM 156 CD ARG A 10 112.344 3.284 5.479 1.00 0.00 C ATOM 157 NE ARG A 10 111.476 2.663 6.475 1.00 0.00 N ATOM 158 CZ ARG A 10 111.386 1.340 6.583 1.00 0.00 C ATOM 159 NH1 ARG A 10 112.090 0.572 5.798 1.00 0.00 N ATOM 160 NH2 ARG A 10 110.593 0.812 7.474 1.00 0.00 N ATOM 0 H ARG A 10 113.281 5.610 7.437 1.00 0.00 H new ATOM 0 HA ARG A 10 115.240 6.155 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 10 114.202 4.377 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.603 4.179 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.271 2.501 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 10 113.710 3.834 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.937 4.252 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.378 2.667 4.581 1.00 0.00 H new ATOM 0 HE ARG A 10 110.928 3.255 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.710 0.986 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.021 -0.442 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.043 1.413 8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.523 -0.202 7.558 1.00 0.00 H new ATOM 174 N PHE A 11 113.487 6.556 3.496 1.00 0.00 N ATOM 175 CA PHE A 11 113.340 7.410 2.323 1.00 0.00 C ATOM 176 C PHE A 11 111.925 7.281 1.765 1.00 0.00 C ATOM 177 O PHE A 11 111.159 6.416 2.191 1.00 0.00 O ATOM 178 CB PHE A 11 114.369 7.031 1.247 1.00 0.00 C ATOM 179 CG PHE A 11 114.815 5.601 1.441 1.00 0.00 C ATOM 180 CD1 PHE A 11 115.802 5.301 2.386 1.00 0.00 C ATOM 181 CD2 PHE A 11 114.247 4.576 0.673 1.00 0.00 C ATOM 182 CE1 PHE A 11 116.221 3.978 2.565 1.00 0.00 C ATOM 183 CE2 PHE A 11 114.667 3.252 0.852 1.00 0.00 C ATOM 184 CZ PHE A 11 115.655 2.953 1.800 1.00 0.00 C ATOM 0 H PHE A 11 112.902 5.721 3.487 1.00 0.00 H new ATOM 0 HA PHE A 11 113.516 8.444 2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 11 113.933 7.153 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 11 115.228 7.699 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 11 116.241 6.091 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 11 113.485 4.807 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 11 116.983 3.748 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 11 114.230 2.462 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 11 115.979 1.932 1.940 1.00 0.00 H new ATOM 194 N HIS A 12 111.580 8.143 0.816 1.00 0.00 N ATOM 195 CA HIS A 12 110.249 8.108 0.218 1.00 0.00 C ATOM 196 C HIS A 12 109.826 6.670 -0.074 1.00 0.00 C ATOM 197 O HIS A 12 110.659 5.767 -0.134 1.00 0.00 O ATOM 198 CB HIS A 12 110.230 8.931 -1.077 1.00 0.00 C ATOM 199 CG HIS A 12 111.508 8.715 -1.843 1.00 0.00 C ATOM 200 ND1 HIS A 12 111.996 9.654 -2.738 1.00 0.00 N ATOM 201 CD2 HIS A 12 112.405 7.674 -1.868 1.00 0.00 C ATOM 202 CE1 HIS A 12 113.135 9.166 -3.260 1.00 0.00 C ATOM 203 NE2 HIS A 12 113.431 7.963 -2.764 1.00 0.00 N ATOM 0 H HIS A 12 112.195 8.868 0.446 1.00 0.00 H new ATOM 0 HA HIS A 12 109.543 8.540 0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 12 109.376 8.641 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 12 110.111 9.989 -0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 12 112.326 6.770 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 12 113.737 9.684 -3.992 1.00 0.00 H new ATOM 0 HE2 HIS A 12 114.236 7.380 -2.992 1.00 0.00 H new ATOM 211 N ARG A 13 108.523 6.465 -0.249 1.00 0.00 N ATOM 212 CA ARG A 13 107.995 5.133 -0.532 1.00 0.00 C ATOM 213 C ARG A 13 107.458 5.072 -1.957 1.00 0.00 C ATOM 214 O ARG A 13 106.952 6.063 -2.483 1.00 0.00 O ATOM 215 CB ARG A 13 106.873 4.779 0.453 1.00 0.00 C ATOM 216 CG ARG A 13 107.239 5.257 1.864 1.00 0.00 C ATOM 217 CD ARG A 13 105.974 5.338 2.720 1.00 0.00 C ATOM 218 NE ARG A 13 105.218 6.540 2.382 1.00 0.00 N ATOM 219 CZ ARG A 13 104.333 7.056 3.227 1.00 0.00 C ATOM 220 NH1 ARG A 13 104.123 6.483 4.380 1.00 0.00 N ATOM 221 NH2 ARG A 13 103.673 8.135 2.903 1.00 0.00 N ATOM 0 H ARG A 13 107.817 7.199 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 13 108.806 4.413 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 13 105.939 5.243 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 13 106.709 3.701 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 13 107.954 4.571 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 13 107.721 6.234 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 13 105.358 4.454 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 13 106.240 5.351 3.777 1.00 0.00 H new ATOM 0 HE ARG A 13 105.372 6.992 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 13 104.638 5.640 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 13 103.443 6.878 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 13 103.837 8.582 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 13 102.993 8.531 3.552 1.00 0.00 H new ATOM 235 N ILE A 14 107.565 3.901 -2.574 1.00 0.00 N ATOM 236 CA ILE A 14 107.080 3.722 -3.937 1.00 0.00 C ATOM 237 C ILE A 14 105.627 4.158 -4.018 1.00 0.00 C ATOM 238 O ILE A 14 104.716 3.373 -3.750 1.00 0.00 O ATOM 239 CB ILE A 14 107.205 2.255 -4.354 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.676 1.907 -4.617 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.394 2.006 -5.631 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.547 2.362 -3.445 1.00 0.00 C ATOM 0 H ILE A 14 107.980 3.068 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 14 107.681 4.331 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 14 106.822 1.628 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.782 0.832 -4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.012 2.387 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.487 0.960 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.345 2.240 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.772 2.641 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.588 2.109 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.454 3.441 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.221 1.861 -2.533 1.00 0.00 H new ATOM 254 N ALA A 15 105.412 5.420 -4.366 1.00 0.00 N ATOM 255 CA ALA A 15 104.055 5.942 -4.452 1.00 0.00 C ATOM 256 C ALA A 15 103.509 5.889 -5.872 1.00 0.00 C ATOM 257 O ALA A 15 104.031 6.528 -6.786 1.00 0.00 O ATOM 258 CB ALA A 15 104.021 7.388 -3.959 1.00 0.00 C ATOM 0 H ALA A 15 106.146 6.091 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 15 103.427 5.311 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 15 103.003 7.772 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.356 7.427 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.680 7.998 -4.576 1.00 0.00 H new ATOM 264 N PHE A 16 102.414 5.159 -6.021 1.00 0.00 N ATOM 265 CA PHE A 16 101.722 5.045 -7.294 1.00 0.00 C ATOM 266 C PHE A 16 100.244 4.831 -7.007 1.00 0.00 C ATOM 267 O PHE A 16 99.884 4.416 -5.905 1.00 0.00 O ATOM 268 CB PHE A 16 102.302 3.905 -8.142 1.00 0.00 C ATOM 269 CG PHE A 16 101.860 2.562 -7.612 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.307 2.120 -6.364 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.016 1.750 -8.383 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.908 0.868 -5.883 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.621 0.497 -7.902 1.00 0.00 C ATOM 274 CZ PHE A 16 101.067 0.057 -6.651 1.00 0.00 C ATOM 0 H PHE A 16 101.981 4.630 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 16 101.856 5.958 -7.875 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.980 4.016 -9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.391 3.961 -8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.960 2.744 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.671 2.092 -9.348 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.250 0.528 -4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 16 99.972 -0.130 -8.496 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.762 -0.910 -6.278 1.00 0.00 H new ATOM 284 N ASP A 17 99.380 5.127 -7.966 1.00 0.00 N ATOM 285 CA ASP A 17 97.947 4.966 -7.737 1.00 0.00 C ATOM 286 C ASP A 17 97.462 3.618 -8.251 1.00 0.00 C ATOM 287 O ASP A 17 97.958 3.108 -9.257 1.00 0.00 O ATOM 288 CB ASP A 17 97.179 6.090 -8.440 1.00 0.00 C ATOM 289 CG ASP A 17 97.284 7.380 -7.633 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.250 7.520 -6.901 1.00 0.00 O ATOM 291 OD2 ASP A 17 96.397 8.207 -7.759 1.00 0.00 O ATOM 0 H ASP A 17 99.635 5.473 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 17 97.765 5.013 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.581 6.245 -9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.132 5.809 -8.556 1.00 0.00 H new ATOM 296 N ALA A 18 96.477 3.052 -7.559 1.00 0.00 N ATOM 297 CA ALA A 18 95.910 1.768 -7.948 1.00 0.00 C ATOM 298 C ALA A 18 94.787 1.386 -6.990 1.00 0.00 C ATOM 299 O ALA A 18 94.519 2.090 -6.017 1.00 0.00 O ATOM 300 CB ALA A 18 96.984 0.678 -7.956 1.00 0.00 C ATOM 0 H ALA A 18 96.056 3.464 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 18 95.508 1.860 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.536 -0.272 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.768 0.944 -8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.414 0.584 -6.959 1.00 0.00 H new ATOM 306 N ASP A 19 94.133 0.269 -7.276 1.00 0.00 N ATOM 307 CA ASP A 19 93.034 -0.200 -6.435 1.00 0.00 C ATOM 308 C ASP A 19 93.523 -1.242 -5.435 1.00 0.00 C ATOM 309 O ASP A 19 94.233 -2.178 -5.800 1.00 0.00 O ATOM 310 CB ASP A 19 91.922 -0.802 -7.312 1.00 0.00 C ATOM 311 CG ASP A 19 92.335 -0.775 -8.780 1.00 0.00 C ATOM 312 OD1 ASP A 19 92.440 0.312 -9.326 1.00 0.00 O ATOM 313 OD2 ASP A 19 92.540 -1.841 -9.337 1.00 0.00 O ATOM 0 H ASP A 19 94.340 -0.327 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 19 92.638 0.652 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.720 -1.827 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 19 90.998 -0.240 -7.176 1.00 0.00 H new ATOM 318 N SER A 20 93.116 -1.092 -4.175 1.00 0.00 N ATOM 319 CA SER A 20 93.499 -2.047 -3.143 1.00 0.00 C ATOM 320 C SER A 20 92.284 -2.434 -2.304 1.00 0.00 C ATOM 321 O SER A 20 91.338 -1.664 -2.165 1.00 0.00 O ATOM 322 CB SER A 20 94.577 -1.455 -2.241 1.00 0.00 C ATOM 323 OG SER A 20 94.711 -2.262 -1.078 1.00 0.00 O ATOM 0 H SER A 20 92.527 -0.326 -3.849 1.00 0.00 H new ATOM 0 HA SER A 20 93.896 -2.937 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 20 95.526 -1.405 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 20 94.314 -0.435 -1.962 1.00 0.00 H new ATOM 0 HG SER A 20 95.404 -1.885 -0.497 1.00 0.00 H new ATOM 329 N GLU A 21 92.327 -3.632 -1.740 1.00 0.00 N ATOM 330 CA GLU A 21 91.239 -4.126 -0.903 1.00 0.00 C ATOM 331 C GLU A 21 91.817 -4.699 0.376 1.00 0.00 C ATOM 332 O GLU A 21 92.956 -5.164 0.389 1.00 0.00 O ATOM 333 CB GLU A 21 90.453 -5.211 -1.642 1.00 0.00 C ATOM 334 CG GLU A 21 89.916 -4.644 -2.956 1.00 0.00 C ATOM 335 CD GLU A 21 89.300 -5.759 -3.794 1.00 0.00 C ATOM 336 OE1 GLU A 21 89.545 -6.912 -3.482 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.590 -5.443 -4.735 1.00 0.00 O ATOM 0 H GLU A 21 93.105 -4.283 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 21 90.564 -3.303 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.095 -6.070 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.629 -5.564 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.169 -3.877 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.722 -4.164 -3.511 1.00 0.00 H new ATOM 344 N ILE A 22 91.046 -4.662 1.454 1.00 0.00 N ATOM 345 CA ILE A 22 91.538 -5.186 2.722 1.00 0.00 C ATOM 346 C ILE A 22 90.512 -6.093 3.384 1.00 0.00 C ATOM 347 O ILE A 22 89.330 -5.793 3.423 1.00 0.00 O ATOM 348 CB ILE A 22 91.905 -4.029 3.649 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.159 -3.341 3.108 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.178 -4.556 5.059 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.417 -2.056 3.889 1.00 0.00 C ATOM 0 H ILE A 22 90.099 -4.284 1.479 1.00 0.00 H new ATOM 0 HA ILE A 22 92.426 -5.785 2.524 1.00 0.00 H new ATOM 0 HB ILE A 22 91.079 -3.319 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.017 -4.008 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.034 -3.116 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.439 -3.725 5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.286 -5.053 5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.004 -5.267 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.311 -1.568 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.563 -1.387 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.561 -2.294 4.943 1.00 0.00 H new ATOM 363 N LEU A 23 90.995 -7.214 3.899 1.00 0.00 N ATOM 364 CA LEU A 23 90.139 -8.189 4.553 1.00 0.00 C ATOM 365 C LEU A 23 90.606 -8.460 5.972 1.00 0.00 C ATOM 366 O LEU A 23 91.742 -8.874 6.201 1.00 0.00 O ATOM 367 CB LEU A 23 90.169 -9.503 3.769 1.00 0.00 C ATOM 368 CG LEU A 23 90.355 -9.208 2.276 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.845 -9.156 1.923 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.688 -10.315 1.452 1.00 0.00 C ATOM 0 H LEU A 23 91.982 -7.471 3.875 1.00 0.00 H new ATOM 0 HA LEU A 23 89.127 -7.785 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.981 -10.134 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.242 -10.054 3.928 1.00 0.00 H new ATOM 0 HG LEU A 23 89.899 -8.244 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 91.960 -8.946 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.329 -8.370 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.308 -10.115 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 89.819 -10.107 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.146 -11.274 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.624 -10.352 1.686 1.00 0.00 H new ATOM 382 N GLN A 24 89.705 -8.252 6.915 1.00 0.00 N ATOM 383 CA GLN A 24 90.010 -8.505 8.320 1.00 0.00 C ATOM 384 C GLN A 24 88.918 -9.370 8.932 1.00 0.00 C ATOM 385 O GLN A 24 87.829 -8.884 9.236 1.00 0.00 O ATOM 386 CB GLN A 24 90.115 -7.188 9.093 1.00 0.00 C ATOM 387 CG GLN A 24 90.133 -7.478 10.597 1.00 0.00 C ATOM 388 CD GLN A 24 90.748 -6.306 11.353 1.00 0.00 C ATOM 389 OE1 GLN A 24 91.969 -6.146 11.367 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.970 -5.473 11.990 1.00 0.00 N ATOM 0 H GLN A 24 88.760 -7.911 6.740 1.00 0.00 H new ATOM 0 HA GLN A 24 90.967 -9.024 8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.021 -6.656 8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.273 -6.541 8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.118 -7.657 10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.704 -8.386 10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.959 -5.608 11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 24 90.373 -4.688 12.501 1.00 0.00 H new ATOM 399 N GLY A 25 89.202 -10.660 9.088 1.00 0.00 N ATOM 400 CA GLY A 25 88.218 -11.577 9.639 1.00 0.00 C ATOM 401 C GLY A 25 87.228 -11.985 8.556 1.00 0.00 C ATOM 402 O GLY A 25 87.623 -12.431 7.478 1.00 0.00 O ATOM 0 H GLY A 25 90.095 -11.087 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.715 -12.460 10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.690 -11.104 10.467 1.00 0.00 H new ATOM 406 N GLU A 26 85.944 -11.823 8.842 1.00 0.00 N ATOM 407 CA GLU A 26 84.902 -12.166 7.881 1.00 0.00 C ATOM 408 C GLU A 26 84.402 -10.907 7.178 1.00 0.00 C ATOM 409 O GLU A 26 83.365 -10.921 6.516 1.00 0.00 O ATOM 410 CB GLU A 26 83.738 -12.846 8.613 1.00 0.00 C ATOM 411 CG GLU A 26 82.991 -11.825 9.483 1.00 0.00 C ATOM 412 CD GLU A 26 81.918 -11.107 8.666 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.465 -11.673 7.685 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.562 -10.001 9.037 1.00 0.00 O ATOM 0 H GLU A 26 85.598 -11.457 9.729 1.00 0.00 H new ATOM 0 HA GLU A 26 85.313 -12.847 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.053 -13.289 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.114 -13.658 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 26 82.532 -12.330 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 26 83.696 -11.098 9.887 1.00 0.00 H new ATOM 421 N ARG A 27 85.138 -9.811 7.355 1.00 0.00 N ATOM 422 CA ARG A 27 84.753 -8.533 6.767 1.00 0.00 C ATOM 423 C ARG A 27 85.733 -8.060 5.701 1.00 0.00 C ATOM 424 O ARG A 27 86.949 -8.106 5.893 1.00 0.00 O ATOM 425 CB ARG A 27 84.705 -7.487 7.869 1.00 0.00 C ATOM 426 CG ARG A 27 83.680 -7.906 8.926 1.00 0.00 C ATOM 427 CD ARG A 27 84.070 -7.299 10.266 1.00 0.00 C ATOM 428 NE ARG A 27 82.949 -7.358 11.198 1.00 0.00 N ATOM 429 CZ ARG A 27 81.912 -6.535 11.078 1.00 0.00 C ATOM 430 NH1 ARG A 27 81.885 -5.655 10.116 1.00 0.00 N ATOM 431 NH2 ARG A 27 80.920 -6.608 11.922 1.00 0.00 N ATOM 0 H ARG A 27 86.000 -9.784 7.899 1.00 0.00 H new ATOM 0 HA ARG A 27 83.781 -8.669 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.689 -7.378 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.437 -6.516 7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.684 -7.571 8.637 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.641 -8.993 9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.924 -7.835 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.381 -6.264 10.126 1.00 0.00 H new ATOM 0 HE ARG A 27 82.961 -8.042 11.954 1.00 0.00 H new ATOM 0 HH11 ARG A 27 82.660 -5.598 9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 27 81.089 -5.024 10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 27 80.940 -7.297 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 27 80.124 -5.976 11.830 1.00 0.00 H new ATOM 445 N ARG A 28 85.191 -7.590 4.586 1.00 0.00 N ATOM 446 CA ARG A 28 86.011 -7.084 3.485 1.00 0.00 C ATOM 447 C ARG A 28 85.531 -5.708 3.065 1.00 0.00 C ATOM 448 O ARG A 28 84.353 -5.376 3.201 1.00 0.00 O ATOM 449 CB ARG A 28 85.940 -8.035 2.279 1.00 0.00 C ATOM 450 CG ARG A 28 86.533 -7.343 1.037 1.00 0.00 C ATOM 451 CD ARG A 28 87.142 -8.381 0.087 1.00 0.00 C ATOM 452 NE ARG A 28 87.079 -7.908 -1.294 1.00 0.00 N ATOM 453 CZ ARG A 28 86.048 -8.205 -2.080 1.00 0.00 C ATOM 454 NH1 ARG A 28 85.057 -8.918 -1.617 1.00 0.00 N ATOM 455 NH2 ARG A 28 86.024 -7.783 -3.315 1.00 0.00 N ATOM 0 H ARG A 28 84.186 -7.547 4.416 1.00 0.00 H new ATOM 0 HA ARG A 28 87.043 -7.020 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.489 -8.952 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.905 -8.320 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 28 85.756 -6.780 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.296 -6.627 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 28 88.178 -8.574 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 28 86.606 -9.326 0.179 1.00 0.00 H new ATOM 0 HE ARG A 28 87.841 -7.339 -1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.073 -9.248 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 28 84.267 -9.145 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 86.797 -7.225 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 28 85.233 -8.011 -3.917 1.00 0.00 H new ATOM 469 N TRP A 29 86.458 -4.909 2.568 1.00 0.00 N ATOM 470 CA TRP A 29 86.150 -3.560 2.137 1.00 0.00 C ATOM 471 C TRP A 29 87.041 -3.156 0.970 1.00 0.00 C ATOM 472 O TRP A 29 88.140 -3.685 0.800 1.00 0.00 O ATOM 473 CB TRP A 29 86.401 -2.601 3.291 1.00 0.00 C ATOM 474 CG TRP A 29 85.583 -2.987 4.476 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.241 -2.872 4.572 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.043 -3.538 5.737 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.846 -3.314 5.824 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.927 -3.735 6.580 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.315 -3.880 6.224 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.071 -4.254 7.869 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.466 -4.402 7.515 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.347 -4.590 8.339 1.00 0.00 C ATOM 0 H TRP A 29 87.436 -5.175 2.453 1.00 0.00 H new ATOM 0 HA TRP A 29 85.107 -3.522 1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.459 -2.608 3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.154 -1.584 2.987 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.584 -2.498 3.801 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.879 -3.328 6.149 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.184 -3.739 5.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.205 -4.395 8.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.450 -4.661 7.878 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.469 -4.993 9.334 1.00 0.00 H new ATOM 493 N GLU A 30 86.568 -2.198 0.181 1.00 0.00 N ATOM 494 CA GLU A 30 87.332 -1.706 -0.956 1.00 0.00 C ATOM 495 C GLU A 30 88.015 -0.398 -0.572 1.00 0.00 C ATOM 496 O GLU A 30 87.413 0.443 0.094 1.00 0.00 O ATOM 497 CB GLU A 30 86.398 -1.469 -2.145 1.00 0.00 C ATOM 498 CG GLU A 30 85.364 -2.595 -2.215 1.00 0.00 C ATOM 499 CD GLU A 30 84.636 -2.551 -3.554 1.00 0.00 C ATOM 500 OE1 GLU A 30 83.992 -1.551 -3.823 1.00 0.00 O ATOM 501 OE2 GLU A 30 84.733 -3.519 -4.290 1.00 0.00 O ATOM 0 H GLU A 30 85.661 -1.748 0.308 1.00 0.00 H new ATOM 0 HA GLU A 30 88.084 -2.444 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.897 -0.507 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.973 -1.431 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.856 -3.560 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.648 -2.494 -1.399 1.00 0.00 H new ATOM 508 N VAL A 31 89.265 -0.226 -0.971 1.00 0.00 N ATOM 509 CA VAL A 31 89.991 0.992 -0.629 1.00 0.00 C ATOM 510 C VAL A 31 90.980 1.368 -1.721 1.00 0.00 C ATOM 511 O VAL A 31 91.426 0.524 -2.496 1.00 0.00 O ATOM 512 CB VAL A 31 90.746 0.790 0.687 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.752 0.767 1.848 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.502 -0.539 0.644 1.00 0.00 C ATOM 0 H VAL A 31 89.794 -0.901 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 31 89.266 1.799 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 31 91.453 1.608 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.290 0.623 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.210 1.712 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.046 -0.051 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.039 -0.682 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.794 -1.356 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.212 -0.527 -0.183 1.00 0.00 H new ATOM 524 N LEU A 32 91.339 2.644 -1.755 1.00 0.00 N ATOM 525 CA LEU A 32 92.302 3.139 -2.725 1.00 0.00 C ATOM 526 C LEU A 32 93.664 3.213 -2.055 1.00 0.00 C ATOM 527 O LEU A 32 93.791 3.748 -0.954 1.00 0.00 O ATOM 528 CB LEU A 32 91.896 4.528 -3.239 1.00 0.00 C ATOM 529 CG LEU A 32 91.561 5.457 -2.062 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.577 6.911 -2.546 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.171 5.121 -1.494 1.00 0.00 C ATOM 0 H LEU A 32 90.976 3.355 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 32 92.336 2.463 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.707 4.956 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.033 4.441 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 32 92.304 5.318 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.340 7.574 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.566 7.155 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 32 90.836 7.040 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 32 89.948 5.787 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.419 5.249 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 32 90.160 4.088 -1.146 1.00 0.00 H new ATOM 543 N LEU A 33 94.679 2.664 -2.704 1.00 0.00 N ATOM 544 CA LEU A 33 96.016 2.684 -2.131 1.00 0.00 C ATOM 545 C LEU A 33 96.785 3.881 -2.662 1.00 0.00 C ATOM 546 O LEU A 33 96.889 4.085 -3.871 1.00 0.00 O ATOM 547 CB LEU A 33 96.751 1.379 -2.464 1.00 0.00 C ATOM 548 CG LEU A 33 98.257 1.507 -2.154 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.759 0.225 -1.482 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.032 1.725 -3.459 1.00 0.00 C ATOM 0 H LEU A 33 94.606 2.206 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 33 95.941 2.770 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.324 0.558 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.611 1.135 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 33 98.413 2.354 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.823 0.320 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.212 0.063 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.599 -0.622 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.096 1.815 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.870 0.877 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.682 2.638 -3.942 1.00 0.00 H new ATOM 562 N HIS A 34 97.291 4.687 -1.741 1.00 0.00 N ATOM 563 CA HIS A 34 98.019 5.889 -2.111 1.00 0.00 C ATOM 564 C HIS A 34 99.517 5.622 -2.257 1.00 0.00 C ATOM 565 O HIS A 34 100.181 6.293 -3.046 1.00 0.00 O ATOM 566 CB HIS A 34 97.751 6.969 -1.072 1.00 0.00 C ATOM 567 CG HIS A 34 96.306 7.378 -1.141 1.00 0.00 C ATOM 568 ND1 HIS A 34 95.908 8.695 -1.306 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.150 6.645 -1.060 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.561 8.712 -1.317 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.051 7.488 -1.171 1.00 0.00 N ATOM 0 H HIS A 34 97.211 4.531 -0.736 1.00 0.00 H new ATOM 0 HA HIS A 34 97.668 6.228 -3.086 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.988 6.597 -0.075 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.394 7.831 -1.252 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.522 9.504 -1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.101 5.574 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 34 93.967 9.607 -1.430 1.00 0.00 H new ATOM 579 N ASP A 35 100.047 4.627 -1.553 1.00 0.00 N ATOM 580 CA ASP A 35 101.470 4.307 -1.710 1.00 0.00 C ATOM 581 C ASP A 35 101.831 3.032 -0.959 1.00 0.00 C ATOM 582 O ASP A 35 101.101 2.587 -0.073 1.00 0.00 O ATOM 583 CB ASP A 35 102.356 5.470 -1.245 1.00 0.00 C ATOM 584 CG ASP A 35 102.367 5.542 0.279 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.432 6.093 0.835 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.312 5.041 0.869 1.00 0.00 O ATOM 0 H ASP A 35 99.538 4.043 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 35 101.653 4.143 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.371 5.336 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.986 6.408 -1.659 1.00 0.00 H new ATOM 591 N VAL A 36 102.960 2.437 -1.342 1.00 0.00 N ATOM 592 CA VAL A 36 103.414 1.196 -0.723 1.00 0.00 C ATOM 593 C VAL A 36 104.935 1.153 -0.637 1.00 0.00 C ATOM 594 O VAL A 36 105.632 1.961 -1.250 1.00 0.00 O ATOM 595 CB VAL A 36 102.912 -0.004 -1.540 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.757 -0.163 -2.805 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.014 -1.288 -0.711 1.00 0.00 C ATOM 0 H VAL A 36 103.573 2.794 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 36 103.009 1.150 0.288 1.00 0.00 H new ATOM 0 HB VAL A 36 101.871 0.173 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.395 -1.016 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.680 0.741 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.799 -0.327 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.655 -2.131 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.053 -1.458 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.406 -1.190 0.188 1.00 0.00 H new ATOM 607 N SER A 37 105.433 0.172 0.105 1.00 0.00 N ATOM 608 CA SER A 37 106.863 -0.033 0.261 1.00 0.00 C ATOM 609 C SER A 37 107.122 -1.532 0.268 1.00 0.00 C ATOM 610 O SER A 37 106.183 -2.323 0.365 1.00 0.00 O ATOM 611 CB SER A 37 107.359 0.587 1.568 1.00 0.00 C ATOM 612 OG SER A 37 108.776 0.492 1.624 1.00 0.00 O ATOM 0 H SER A 37 104.858 -0.500 0.613 1.00 0.00 H new ATOM 0 HA SER A 37 107.397 0.446 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.050 1.631 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.914 0.072 2.420 1.00 0.00 H new ATOM 0 HG SER A 37 109.098 0.890 2.460 1.00 0.00 H new ATOM 618 N LEU A 38 108.375 -1.933 0.153 1.00 0.00 N ATOM 619 CA LEU A 38 108.684 -3.354 0.137 1.00 0.00 C ATOM 620 C LEU A 38 108.327 -3.996 1.477 1.00 0.00 C ATOM 621 O LEU A 38 108.496 -5.202 1.659 1.00 0.00 O ATOM 622 CB LEU A 38 110.171 -3.579 -0.189 1.00 0.00 C ATOM 623 CG LEU A 38 110.980 -2.318 0.158 1.00 0.00 C ATOM 624 CD1 LEU A 38 112.433 -2.702 0.447 1.00 0.00 C ATOM 625 CD2 LEU A 38 110.943 -1.335 -1.021 1.00 0.00 C ATOM 0 H LEU A 38 109.180 -1.312 0.071 1.00 0.00 H new ATOM 0 HA LEU A 38 108.085 -3.827 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.551 -4.432 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.288 -3.817 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 38 110.543 -1.847 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 38 113.004 -1.807 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 38 112.466 -3.395 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.865 -3.178 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 38 111.518 -0.444 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 38 111.375 -1.808 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 38 109.910 -1.054 -1.229 1.00 0.00 H new ATOM 637 N HIS A 39 107.842 -3.187 2.421 1.00 0.00 N ATOM 638 CA HIS A 39 107.482 -3.706 3.737 1.00 0.00 C ATOM 639 C HIS A 39 106.504 -2.772 4.458 1.00 0.00 C ATOM 640 O HIS A 39 106.633 -2.540 5.660 1.00 0.00 O ATOM 641 CB HIS A 39 108.751 -3.867 4.579 1.00 0.00 C ATOM 642 CG HIS A 39 108.481 -4.778 5.746 1.00 0.00 C ATOM 643 ND1 HIS A 39 108.604 -6.155 5.652 1.00 0.00 N ATOM 644 CD2 HIS A 39 108.107 -4.522 7.043 1.00 0.00 C ATOM 645 CE1 HIS A 39 108.310 -6.673 6.859 1.00 0.00 C ATOM 646 NE2 HIS A 39 108.001 -5.720 7.743 1.00 0.00 N ATOM 0 H HIS A 39 107.692 -2.185 2.300 1.00 0.00 H new ATOM 0 HA HIS A 39 106.992 -4.670 3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.555 -4.275 3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.086 -2.893 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 39 107.923 -3.541 7.456 1.00 0.00 H new ATOM 0 HE1 HIS A 39 108.322 -7.729 7.085 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.743 -5.844 8.722 1.00 0.00 H new ATOM 654 N GLY A 40 105.526 -2.245 3.725 1.00 0.00 N ATOM 655 CA GLY A 40 104.538 -1.347 4.321 1.00 0.00 C ATOM 656 C GLY A 40 103.556 -0.833 3.271 1.00 0.00 C ATOM 657 O GLY A 40 103.848 -0.862 2.080 1.00 0.00 O ATOM 0 H GLY A 40 105.396 -2.421 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 40 103.993 -1.871 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.045 -0.505 4.792 1.00 0.00 H new ATOM 661 N ILE A 41 102.382 -0.382 3.718 1.00 0.00 N ATOM 662 CA ILE A 41 101.353 0.112 2.799 1.00 0.00 C ATOM 663 C ILE A 41 100.509 1.218 3.440 1.00 0.00 C ATOM 664 O ILE A 41 100.276 1.226 4.645 1.00 0.00 O ATOM 665 CB ILE A 41 100.446 -1.061 2.362 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.968 -0.636 2.347 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.623 -2.233 3.326 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.130 -1.737 1.698 1.00 0.00 C ATOM 0 H ILE A 41 102.121 -0.348 4.703 1.00 0.00 H new ATOM 0 HA ILE A 41 101.850 0.539 1.928 1.00 0.00 H new ATOM 0 HB ILE A 41 100.734 -1.360 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.621 -0.451 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.852 0.297 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 41 99.983 -3.059 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.664 -2.557 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.349 -1.920 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.082 -1.438 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.472 -1.900 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.237 -2.660 2.268 1.00 0.00 H new ATOM 680 N LEU A 42 100.038 2.136 2.593 1.00 0.00 N ATOM 681 CA LEU A 42 99.192 3.245 3.034 1.00 0.00 C ATOM 682 C LEU A 42 97.868 3.180 2.280 1.00 0.00 C ATOM 683 O LEU A 42 97.852 2.941 1.073 1.00 0.00 O ATOM 684 CB LEU A 42 99.881 4.586 2.738 1.00 0.00 C ATOM 685 CG LEU A 42 99.528 5.624 3.809 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.441 6.845 3.652 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.071 6.066 3.652 1.00 0.00 C ATOM 0 H LEU A 42 100.230 2.132 1.591 1.00 0.00 H new ATOM 0 HA LEU A 42 99.020 3.167 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.961 4.446 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.575 4.949 1.757 1.00 0.00 H new ATOM 0 HG LEU A 42 99.665 5.179 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.192 7.585 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.481 6.539 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.300 7.280 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.830 6.803 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.929 6.507 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.415 5.202 3.761 1.00 0.00 H new ATOM 699 N VAL A 43 96.761 3.376 2.985 1.00 0.00 N ATOM 700 CA VAL A 43 95.452 3.314 2.336 1.00 0.00 C ATOM 701 C VAL A 43 94.497 4.371 2.877 1.00 0.00 C ATOM 702 O VAL A 43 94.799 5.071 3.844 1.00 0.00 O ATOM 703 CB VAL A 43 94.832 1.929 2.535 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.770 0.858 1.976 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.606 1.679 4.028 1.00 0.00 C ATOM 0 H VAL A 43 96.738 3.575 3.985 1.00 0.00 H new ATOM 0 HA VAL A 43 95.608 3.507 1.275 1.00 0.00 H new ATOM 0 HB VAL A 43 93.878 1.884 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.325 -0.127 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.929 1.033 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.726 0.904 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.164 0.692 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.560 1.728 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.933 2.438 4.426 1.00 0.00 H new ATOM 715 N GLY A 44 93.324 4.441 2.256 1.00 0.00 N ATOM 716 CA GLY A 44 92.278 5.378 2.684 1.00 0.00 C ATOM 717 C GLY A 44 91.270 4.639 3.564 1.00 0.00 C ATOM 718 O GLY A 44 91.013 3.456 3.342 1.00 0.00 O ATOM 0 H GLY A 44 93.069 3.863 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.720 6.208 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.777 5.804 1.815 1.00 0.00 H new ATOM 722 N GLN A 45 90.715 5.306 4.582 1.00 0.00 N ATOM 723 CA GLN A 45 89.772 4.635 5.476 1.00 0.00 C ATOM 724 C GLN A 45 88.332 4.724 4.953 1.00 0.00 C ATOM 725 O GLN A 45 87.777 5.815 4.850 1.00 0.00 O ATOM 726 CB GLN A 45 89.854 5.268 6.880 1.00 0.00 C ATOM 727 CG GLN A 45 89.042 6.569 6.953 1.00 0.00 C ATOM 728 CD GLN A 45 87.570 6.259 7.217 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.253 5.357 7.991 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.647 6.958 6.615 1.00 0.00 N ATOM 0 H GLN A 45 90.897 6.285 4.802 1.00 0.00 H new ATOM 0 HA GLN A 45 90.045 3.581 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 45 89.481 4.562 7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 45 90.895 5.472 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.434 7.207 7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.143 7.122 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.911 7.706 5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.662 6.757 6.786 1.00 0.00 H new ATOM 739 N PRO A 46 87.703 3.627 4.630 1.00 0.00 N ATOM 740 CA PRO A 46 86.301 3.654 4.149 1.00 0.00 C ATOM 741 C PRO A 46 85.318 3.663 5.327 1.00 0.00 C ATOM 742 O PRO A 46 85.694 3.349 6.455 1.00 0.00 O ATOM 743 CB PRO A 46 86.199 2.379 3.323 1.00 0.00 C ATOM 744 CG PRO A 46 87.138 1.420 3.996 1.00 0.00 C ATOM 745 CD PRO A 46 88.241 2.265 4.660 1.00 0.00 C ATOM 0 HA PRO A 46 86.051 4.545 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.179 1.994 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.486 2.554 2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.611 0.821 4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.566 0.727 3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.438 1.935 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.182 2.194 4.115 1.00 0.00 H new ATOM 753 N GLN A 47 84.070 4.041 5.067 1.00 0.00 N ATOM 754 CA GLN A 47 83.065 4.104 6.128 1.00 0.00 C ATOM 755 C GLN A 47 82.775 2.719 6.710 1.00 0.00 C ATOM 756 O GLN A 47 82.597 2.570 7.919 1.00 0.00 O ATOM 757 CB GLN A 47 81.763 4.708 5.575 1.00 0.00 C ATOM 758 CG GLN A 47 81.704 6.207 5.889 1.00 0.00 C ATOM 759 CD GLN A 47 82.824 6.937 5.156 1.00 0.00 C ATOM 760 OE1 GLN A 47 82.918 6.860 3.932 1.00 0.00 O ATOM 761 NE2 GLN A 47 83.682 7.646 5.837 1.00 0.00 N ATOM 0 H GLN A 47 83.731 4.306 4.142 1.00 0.00 H new ATOM 0 HA GLN A 47 83.460 4.733 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.709 4.552 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.903 4.202 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 47 80.737 6.612 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.797 6.366 6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 47 83.601 7.708 6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 47 84.434 8.139 5.354 1.00 0.00 H new ATOM 770 N ASP A 48 82.711 1.716 5.844 1.00 0.00 N ATOM 771 CA ASP A 48 82.420 0.351 6.279 1.00 0.00 C ATOM 772 C ASP A 48 83.584 -0.256 7.063 1.00 0.00 C ATOM 773 O ASP A 48 83.579 -1.452 7.357 1.00 0.00 O ATOM 774 CB ASP A 48 82.115 -0.524 5.062 1.00 0.00 C ATOM 775 CG ASP A 48 80.740 -0.181 4.499 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.521 0.978 4.186 1.00 0.00 O ATOM 777 OD2 ASP A 48 79.924 -1.083 4.387 1.00 0.00 O ATOM 0 H ASP A 48 82.856 1.818 4.840 1.00 0.00 H new ATOM 0 HA ASP A 48 81.554 0.391 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.877 -0.374 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.149 -1.576 5.344 1.00 0.00 H new ATOM 782 N TRP A 49 84.584 0.558 7.390 1.00 0.00 N ATOM 783 CA TRP A 49 85.745 0.058 8.129 1.00 0.00 C ATOM 784 C TRP A 49 85.358 -0.445 9.514 1.00 0.00 C ATOM 785 O TRP A 49 85.747 0.138 10.523 1.00 0.00 O ATOM 786 CB TRP A 49 86.780 1.164 8.285 1.00 0.00 C ATOM 787 CG TRP A 49 88.046 0.599 8.850 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.369 0.586 10.159 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.139 -0.030 8.145 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.620 -0.002 10.310 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.144 -0.388 9.081 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.351 -0.308 6.788 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.329 -1.007 8.655 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.528 -0.926 6.365 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.514 -1.269 7.291 1.00 0.00 C ATOM 0 H TRP A 49 84.617 1.551 7.161 1.00 0.00 H new ATOM 0 HA TRP A 49 86.159 -0.773 7.558 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.978 1.628 7.319 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.395 1.945 8.941 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.755 0.970 10.960 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.092 -0.133 11.205 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.596 -0.041 6.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.091 -1.279 9.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.677 -1.140 5.317 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.426 -1.740 6.954 1.00 0.00 H new ATOM 806 N ASN A 50 84.609 -1.536 9.568 1.00 0.00 N ATOM 807 CA ASN A 50 84.215 -2.098 10.859 1.00 0.00 C ATOM 808 C ASN A 50 85.218 -3.165 11.290 1.00 0.00 C ATOM 809 O ASN A 50 84.966 -4.359 11.144 1.00 0.00 O ATOM 810 CB ASN A 50 82.809 -2.697 10.785 1.00 0.00 C ATOM 811 CG ASN A 50 82.447 -3.346 12.118 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.365 -3.918 12.258 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.292 -3.292 13.112 1.00 0.00 N ATOM 0 H ASN A 50 84.266 -2.044 8.753 1.00 0.00 H new ATOM 0 HA ASN A 50 84.206 -1.296 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.086 -1.919 10.542 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.762 -3.437 9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 50 83.056 -3.724 14.006 1.00 0.00 H new ATOM 0 HD22 ASN A 50 84.188 -2.818 12.995 1.00 0.00 H new ATOM 820 N GLY A 51 86.362 -2.726 11.813 1.00 0.00 N ATOM 821 CA GLY A 51 87.400 -3.658 12.251 1.00 0.00 C ATOM 822 C GLY A 51 88.069 -3.184 13.537 1.00 0.00 C ATOM 823 O GLY A 51 88.000 -2.007 13.890 1.00 0.00 O ATOM 0 H GLY A 51 86.592 -1.741 11.943 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.962 -4.644 12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.150 -3.764 11.467 1.00 0.00 H new ATOM 827 N ASP A 52 88.713 -4.118 14.233 1.00 0.00 N ATOM 828 CA ASP A 52 89.398 -3.805 15.488 1.00 0.00 C ATOM 829 C ASP A 52 90.887 -3.534 15.241 1.00 0.00 C ATOM 830 O ASP A 52 91.638 -4.449 14.903 1.00 0.00 O ATOM 831 CB ASP A 52 89.250 -4.980 16.458 1.00 0.00 C ATOM 832 CG ASP A 52 89.626 -4.542 17.869 1.00 0.00 C ATOM 833 OD1 ASP A 52 89.353 -3.402 18.205 1.00 0.00 O ATOM 834 OD2 ASP A 52 90.180 -5.354 18.592 1.00 0.00 O ATOM 0 H ASP A 52 88.776 -5.096 13.951 1.00 0.00 H new ATOM 0 HA ASP A 52 88.946 -2.910 15.916 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.224 -5.347 16.444 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.888 -5.805 16.142 1.00 0.00 H new ATOM 839 N PRO A 53 91.330 -2.306 15.397 1.00 0.00 N ATOM 840 CA PRO A 53 92.762 -1.931 15.178 1.00 0.00 C ATOM 841 C PRO A 53 93.732 -2.895 15.847 1.00 0.00 C ATOM 842 O PRO A 53 94.898 -2.982 15.461 1.00 0.00 O ATOM 843 CB PRO A 53 92.866 -0.533 15.794 1.00 0.00 C ATOM 844 CG PRO A 53 91.495 0.043 15.682 1.00 0.00 C ATOM 845 CD PRO A 53 90.522 -1.133 15.792 1.00 0.00 C ATOM 0 HA PRO A 53 93.031 -1.962 14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.189 -0.583 16.834 1.00 0.00 H new ATOM 0 HB3 PRO A 53 93.595 0.079 15.263 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.314 0.772 16.472 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.369 0.564 14.733 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.136 -1.238 16.806 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.662 -1.002 15.135 1.00 0.00 H new ATOM 853 N GLN A 54 93.256 -3.603 16.862 1.00 0.00 N ATOM 854 CA GLN A 54 94.113 -4.535 17.580 1.00 0.00 C ATOM 855 C GLN A 54 94.262 -5.859 16.834 1.00 0.00 C ATOM 856 O GLN A 54 95.247 -6.572 17.024 1.00 0.00 O ATOM 857 CB GLN A 54 93.555 -4.798 18.982 1.00 0.00 C ATOM 858 CG GLN A 54 93.683 -3.533 19.850 1.00 0.00 C ATOM 859 CD GLN A 54 92.304 -2.941 20.125 1.00 0.00 C ATOM 860 OE1 GLN A 54 91.424 -2.992 19.268 1.00 0.00 O ATOM 861 NE2 GLN A 54 92.063 -2.380 21.279 1.00 0.00 N ATOM 0 H GLN A 54 92.296 -3.552 17.203 1.00 0.00 H new ATOM 0 HA GLN A 54 95.099 -4.076 17.657 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.509 -5.098 18.915 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.094 -5.623 19.447 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.176 -3.777 20.791 1.00 0.00 H new ATOM 0 HG3 GLN A 54 94.308 -2.797 19.344 1.00 0.00 H new ATOM 0 HE21 GLN A 54 92.794 -2.339 21.989 1.00 0.00 H new ATOM 0 HE22 GLN A 54 91.143 -1.983 21.471 1.00 0.00 H new ATOM 870 N ARG A 55 93.294 -6.188 15.982 1.00 0.00 N ATOM 871 CA ARG A 55 93.370 -7.436 15.223 1.00 0.00 C ATOM 872 C ARG A 55 94.033 -7.178 13.871 1.00 0.00 C ATOM 873 O ARG A 55 93.959 -6.073 13.338 1.00 0.00 O ATOM 874 CB ARG A 55 91.969 -8.035 15.020 1.00 0.00 C ATOM 875 CG ARG A 55 91.578 -8.910 16.224 1.00 0.00 C ATOM 876 CD ARG A 55 90.588 -9.991 15.774 1.00 0.00 C ATOM 877 NE ARG A 55 89.798 -10.458 16.908 1.00 0.00 N ATOM 878 CZ ARG A 55 90.353 -11.162 17.888 1.00 0.00 C ATOM 879 NH1 ARG A 55 91.626 -11.449 17.846 1.00 0.00 N ATOM 880 NH2 ARG A 55 89.626 -11.571 18.892 1.00 0.00 N ATOM 0 H ARG A 55 92.464 -5.623 15.801 1.00 0.00 H new ATOM 0 HA ARG A 55 93.969 -8.151 15.786 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.240 -7.235 14.892 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.951 -8.632 14.108 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.466 -9.372 16.654 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.130 -8.294 17.004 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.929 -9.592 15.003 1.00 0.00 H new ATOM 0 HD3 ARG A 55 91.129 -10.827 15.330 1.00 0.00 H new ATOM 0 HE ARG A 55 88.802 -10.240 16.949 1.00 0.00 H new ATOM 0 HH11 ARG A 55 92.194 -11.133 17.060 1.00 0.00 H new ATOM 0 HH12 ARG A 55 92.052 -11.990 18.599 1.00 0.00 H new ATOM 0 HH21 ARG A 55 88.631 -11.350 18.924 1.00 0.00 H new ATOM 0 HH22 ARG A 55 90.053 -12.112 19.644 1.00 0.00 H new ATOM 894 N PRO A 56 94.695 -8.167 13.329 1.00 0.00 N ATOM 895 CA PRO A 56 95.412 -8.040 12.025 1.00 0.00 C ATOM 896 C PRO A 56 94.476 -7.785 10.847 1.00 0.00 C ATOM 897 O PRO A 56 93.276 -8.053 10.910 1.00 0.00 O ATOM 898 CB PRO A 56 96.148 -9.377 11.872 1.00 0.00 C ATOM 899 CG PRO A 56 95.402 -10.337 12.738 1.00 0.00 C ATOM 900 CD PRO A 56 94.835 -9.518 13.895 1.00 0.00 C ATOM 0 HA PRO A 56 96.081 -7.179 12.023 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.154 -9.707 10.833 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.189 -9.291 12.185 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.604 -10.825 12.179 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.062 -11.123 13.105 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.877 -9.912 14.233 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.504 -9.524 14.756 1.00 0.00 H new ATOM 908 N PHE A 57 95.062 -7.278 9.766 1.00 0.00 N ATOM 909 CA PHE A 57 94.325 -6.988 8.543 1.00 0.00 C ATOM 910 C PHE A 57 95.069 -7.604 7.359 1.00 0.00 C ATOM 911 O PHE A 57 96.288 -7.770 7.422 1.00 0.00 O ATOM 912 CB PHE A 57 94.242 -5.471 8.330 1.00 0.00 C ATOM 913 CG PHE A 57 93.546 -4.809 9.500 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.227 -4.631 10.710 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.225 -4.365 9.370 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.584 -4.012 11.789 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.584 -3.744 10.449 1.00 0.00 C ATOM 918 CZ PHE A 57 92.263 -3.568 11.658 1.00 0.00 C ATOM 0 H PHE A 57 96.057 -7.058 9.714 1.00 0.00 H new ATOM 0 HA PHE A 57 93.320 -7.402 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.244 -5.059 8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.701 -5.256 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.247 -4.971 10.811 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.699 -4.502 8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.108 -3.877 12.724 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.565 -3.401 10.347 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.769 -3.090 12.491 1.00 0.00 H new ATOM 928 N GLU A 58 94.365 -7.916 6.274 1.00 0.00 N ATOM 929 CA GLU A 58 95.030 -8.479 5.094 1.00 0.00 C ATOM 930 C GLU A 58 94.788 -7.560 3.905 1.00 0.00 C ATOM 931 O GLU A 58 93.678 -7.087 3.711 1.00 0.00 O ATOM 932 CB GLU A 58 94.502 -9.884 4.795 1.00 0.00 C ATOM 933 CG GLU A 58 94.605 -10.747 6.055 1.00 0.00 C ATOM 934 CD GLU A 58 93.975 -12.114 5.803 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.340 -12.272 4.774 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.136 -12.983 6.644 1.00 0.00 O ATOM 0 H GLU A 58 93.356 -7.794 6.183 1.00 0.00 H new ATOM 0 HA GLU A 58 96.100 -8.557 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.466 -9.831 4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.075 -10.335 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.650 -10.866 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.102 -10.253 6.886 1.00 0.00 H new ATOM 943 N ALA A 59 95.824 -7.274 3.128 1.00 0.00 N ATOM 944 CA ALA A 59 95.686 -6.370 1.991 1.00 0.00 C ATOM 945 C ALA A 59 95.965 -7.062 0.667 1.00 0.00 C ATOM 946 O ALA A 59 96.940 -7.800 0.526 1.00 0.00 O ATOM 947 CB ALA A 59 96.685 -5.220 2.145 1.00 0.00 C ATOM 0 H ALA A 59 96.763 -7.651 3.261 1.00 0.00 H new ATOM 0 HA ALA A 59 94.657 -6.012 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.589 -4.539 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.480 -4.681 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.698 -5.620 2.175 1.00 0.00 H new ATOM 953 N ARG A 60 95.126 -6.763 -0.314 1.00 0.00 N ATOM 954 CA ARG A 60 95.293 -7.297 -1.657 1.00 0.00 C ATOM 955 C ARG A 60 95.398 -6.135 -2.634 1.00 0.00 C ATOM 956 O ARG A 60 94.547 -5.245 -2.633 1.00 0.00 O ATOM 957 CB ARG A 60 94.093 -8.178 -2.040 1.00 0.00 C ATOM 958 CG ARG A 60 94.247 -9.593 -1.458 1.00 0.00 C ATOM 959 CD ARG A 60 94.454 -9.543 0.058 1.00 0.00 C ATOM 960 NE ARG A 60 93.822 -10.705 0.685 1.00 0.00 N ATOM 961 CZ ARG A 60 94.468 -11.467 1.569 1.00 0.00 C ATOM 962 NH1 ARG A 60 95.699 -11.191 1.904 1.00 0.00 N ATOM 963 NH2 ARG A 60 93.865 -12.493 2.104 1.00 0.00 N ATOM 0 H ARG A 60 94.318 -6.150 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 60 96.196 -7.906 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.172 -7.726 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.008 -8.233 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 60 93.360 -10.183 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 60 95.094 -10.093 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 60 95.519 -9.529 0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.029 -8.624 0.462 1.00 0.00 H new ATOM 0 HE ARG A 60 92.860 -10.939 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 60 96.173 -10.389 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 60 96.187 -11.778 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 60 92.902 -12.710 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 60 94.356 -13.078 2.780 1.00 0.00 H new ATOM 977 N LEU A 61 96.439 -6.130 -3.457 1.00 0.00 N ATOM 978 CA LEU A 61 96.626 -5.045 -4.418 1.00 0.00 C ATOM 979 C LEU A 61 96.404 -5.548 -5.836 1.00 0.00 C ATOM 980 O LEU A 61 96.831 -6.647 -6.190 1.00 0.00 O ATOM 981 CB LEU A 61 98.040 -4.467 -4.292 1.00 0.00 C ATOM 982 CG LEU A 61 98.466 -4.440 -2.821 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.919 -3.973 -2.722 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.568 -3.473 -2.048 1.00 0.00 C ATOM 0 H LEU A 61 97.158 -6.853 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 61 95.898 -4.263 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.741 -5.069 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.068 -3.459 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 61 98.374 -5.440 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.224 -3.953 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.560 -4.660 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.009 -2.973 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.871 -3.453 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.661 -2.473 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.532 -3.803 -2.120 1.00 0.00 H new ATOM 996 N TYR A 62 95.730 -4.736 -6.646 1.00 0.00 N ATOM 997 CA TYR A 62 95.453 -5.111 -8.028 1.00 0.00 C ATOM 998 C TYR A 62 96.063 -4.104 -8.999 1.00 0.00 C ATOM 999 O TYR A 62 95.612 -2.956 -9.090 1.00 0.00 O ATOM 1000 CB TYR A 62 93.942 -5.180 -8.261 1.00 0.00 C ATOM 1001 CG TYR A 62 93.286 -5.965 -7.149 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.143 -5.395 -5.878 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.818 -7.263 -7.390 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.529 -6.123 -4.849 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.207 -7.990 -6.360 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.063 -7.420 -5.091 1.00 0.00 C ATOM 1007 OH TYR A 62 91.460 -8.138 -4.078 1.00 0.00 O ATOM 0 H TYR A 62 95.369 -3.822 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 62 95.899 -6.089 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.525 -4.174 -8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.734 -5.651 -9.222 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.505 -4.395 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 62 92.928 -7.703 -8.370 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.416 -5.683 -3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 62 91.847 -8.991 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 62 91.000 -7.523 -3.470 1.00 0.00 H new ATOM 1017 N LEU A 63 97.085 -4.548 -9.731 1.00 0.00 N ATOM 1018 CA LEU A 63 97.751 -3.695 -10.714 1.00 0.00 C ATOM 1019 C LEU A 63 97.328 -4.111 -12.118 1.00 0.00 C ATOM 1020 O LEU A 63 96.404 -3.536 -12.694 1.00 0.00 O ATOM 1021 CB LEU A 63 99.274 -3.812 -10.564 1.00 0.00 C ATOM 1022 CG LEU A 63 99.963 -2.639 -11.278 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.431 -2.570 -10.845 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.888 -2.830 -12.801 1.00 0.00 C ATOM 0 H LEU A 63 97.468 -5.491 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 63 97.463 -2.657 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.545 -3.816 -9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.618 -4.757 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 63 99.456 -1.712 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.921 -1.738 -11.351 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.486 -2.422 -9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.932 -3.501 -11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.379 -1.993 -13.297 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.387 -3.759 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.844 -2.874 -13.111 1.00 0.00 H new ATOM 1036 N GLY A 64 97.992 -5.130 -12.656 1.00 0.00 N ATOM 1037 CA GLY A 64 97.656 -5.631 -13.983 1.00 0.00 C ATOM 1038 C GLY A 64 96.405 -6.495 -13.899 1.00 0.00 C ATOM 1039 O GLY A 64 95.854 -6.686 -12.815 1.00 0.00 O ATOM 0 H GLY A 64 98.759 -5.621 -12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.490 -4.798 -14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.486 -6.212 -14.385 1.00 0.00 H new ATOM 1043 N LEU A 65 95.947 -7.014 -15.032 1.00 0.00 N ATOM 1044 CA LEU A 65 94.749 -7.843 -15.019 1.00 0.00 C ATOM 1045 C LEU A 65 95.064 -9.212 -14.420 1.00 0.00 C ATOM 1046 O LEU A 65 94.221 -9.820 -13.761 1.00 0.00 O ATOM 1047 CB LEU A 65 94.191 -7.995 -16.441 1.00 0.00 C ATOM 1048 CG LEU A 65 92.660 -7.957 -16.411 1.00 0.00 C ATOM 1049 CD1 LEU A 65 92.120 -8.037 -17.840 1.00 0.00 C ATOM 1050 CD2 LEU A 65 92.132 -9.145 -15.597 1.00 0.00 C ATOM 0 H LEU A 65 96.374 -6.881 -15.949 1.00 0.00 H new ATOM 0 HA LEU A 65 93.993 -7.358 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.570 -7.195 -17.077 1.00 0.00 H new ATOM 0 HB3 LEU A 65 94.531 -8.935 -16.875 1.00 0.00 H new ATOM 0 HG LEU A 65 92.330 -7.027 -15.949 1.00 0.00 H new ATOM 0 HD11 LEU A 65 91.031 -8.010 -17.819 1.00 0.00 H new ATOM 0 HD12 LEU A 65 92.493 -7.191 -18.418 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.451 -8.967 -18.303 1.00 0.00 H new ATOM 0 HD21 LEU A 65 91.043 -9.117 -15.577 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.462 -10.077 -16.057 1.00 0.00 H new ATOM 0 HD23 LEU A 65 92.516 -9.087 -14.578 1.00 0.00 H new ATOM 1062 N ASP A 66 96.285 -9.689 -14.650 1.00 0.00 N ATOM 1063 CA ASP A 66 96.735 -10.979 -14.143 1.00 0.00 C ATOM 1064 C ASP A 66 97.648 -10.805 -12.928 1.00 0.00 C ATOM 1065 O ASP A 66 98.272 -11.764 -12.474 1.00 0.00 O ATOM 1066 CB ASP A 66 97.543 -11.667 -15.248 1.00 0.00 C ATOM 1067 CG ASP A 66 97.713 -13.149 -14.928 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.369 -13.538 -13.825 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.182 -13.871 -15.792 1.00 0.00 O ATOM 0 H ASP A 66 96.989 -9.190 -15.194 1.00 0.00 H new ATOM 0 HA ASP A 66 95.865 -11.566 -13.850 1.00 0.00 H new ATOM 0 HB2 ASP A 66 97.037 -11.550 -16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.520 -11.193 -15.344 1.00 0.00 H new ATOM 1074 N VAL A 67 97.746 -9.575 -12.420 1.00 0.00 N ATOM 1075 CA VAL A 67 98.615 -9.302 -11.273 1.00 0.00 C ATOM 1076 C VAL A 67 97.820 -9.118 -9.989 1.00 0.00 C ATOM 1077 O VAL A 67 97.344 -8.024 -9.682 1.00 0.00 O ATOM 1078 CB VAL A 67 99.475 -8.052 -11.539 1.00 0.00 C ATOM 1079 CG1 VAL A 67 99.991 -7.468 -10.215 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.675 -8.436 -12.413 1.00 0.00 C ATOM 0 H VAL A 67 97.243 -8.763 -12.778 1.00 0.00 H new ATOM 0 HA VAL A 67 99.263 -10.169 -11.143 1.00 0.00 H new ATOM 0 HB VAL A 67 98.863 -7.307 -12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.597 -6.585 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.145 -7.190 -9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.597 -8.213 -9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.285 -7.553 -12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.274 -9.187 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.320 -8.842 -13.360 1.00 0.00 H new ATOM 1090 N LEU A 68 97.717 -10.200 -9.229 1.00 0.00 N ATOM 1091 CA LEU A 68 97.024 -10.175 -7.952 1.00 0.00 C ATOM 1092 C LEU A 68 98.054 -10.395 -6.847 1.00 0.00 C ATOM 1093 O LEU A 68 98.699 -11.442 -6.795 1.00 0.00 O ATOM 1094 CB LEU A 68 95.950 -11.276 -7.928 1.00 0.00 C ATOM 1095 CG LEU A 68 95.643 -11.695 -6.488 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.150 -10.485 -5.688 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.559 -12.776 -6.494 1.00 0.00 C ATOM 0 H LEU A 68 98.107 -11.109 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 68 96.528 -9.216 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.041 -10.916 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.293 -12.139 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 68 96.550 -12.086 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.933 -10.790 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.921 -9.714 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.245 -10.089 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.339 -13.076 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.655 -12.382 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.910 -13.640 -7.058 1.00 0.00 H new ATOM 1109 N ILE A 69 98.219 -9.401 -5.978 1.00 0.00 N ATOM 1110 CA ILE A 69 99.196 -9.504 -4.894 1.00 0.00 C ATOM 1111 C ILE A 69 98.489 -9.587 -3.543 1.00 0.00 C ATOM 1112 O ILE A 69 97.465 -8.941 -3.327 1.00 0.00 O ATOM 1113 CB ILE A 69 100.140 -8.292 -4.943 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.054 -8.410 -6.181 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.995 -8.235 -3.666 1.00 0.00 C ATOM 1116 CD1 ILE A 69 100.972 -7.129 -7.016 1.00 0.00 C ATOM 0 H ILE A 69 97.697 -8.525 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 69 99.781 -10.415 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 69 99.550 -7.378 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.083 -8.585 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.754 -9.267 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.660 -7.373 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.344 -8.146 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.588 -9.146 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.620 -7.221 -7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.944 -6.973 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.294 -6.280 -6.413 1.00 0.00 H new ATOM 1128 N ARG A 70 99.058 -10.380 -2.633 1.00 0.00 N ATOM 1129 CA ARG A 70 98.488 -10.533 -1.295 1.00 0.00 C ATOM 1130 C ARG A 70 99.547 -10.290 -0.221 1.00 0.00 C ATOM 1131 O ARG A 70 100.643 -10.861 -0.265 1.00 0.00 O ATOM 1132 CB ARG A 70 97.893 -11.936 -1.132 1.00 0.00 C ATOM 1133 CG ARG A 70 97.167 -12.340 -2.423 1.00 0.00 C ATOM 1134 CD ARG A 70 96.067 -13.354 -2.100 1.00 0.00 C ATOM 1135 NE ARG A 70 96.555 -14.342 -1.144 1.00 0.00 N ATOM 1136 CZ ARG A 70 97.176 -15.445 -1.549 1.00 0.00 C ATOM 1137 NH1 ARG A 70 97.366 -15.658 -2.822 1.00 0.00 N ATOM 1138 NH2 ARG A 70 97.597 -16.316 -0.673 1.00 0.00 N ATOM 0 H ARG A 70 99.906 -10.922 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 70 97.698 -9.792 -1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.683 -12.653 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.199 -11.952 -0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 70 96.735 -11.460 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 70 97.875 -12.770 -3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 70 95.198 -12.840 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 70 95.742 -13.852 -3.014 1.00 0.00 H new ATOM 0 HE ARG A 70 96.417 -14.183 -0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 70 97.038 -14.978 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 70 97.843 -16.505 -3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 70 97.449 -16.150 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 70 98.074 -17.163 -0.984 1.00 0.00 H new ATOM 1152 N MET A 71 99.206 -9.446 0.750 1.00 0.00 N ATOM 1153 CA MET A 71 100.118 -9.129 1.846 1.00 0.00 C ATOM 1154 C MET A 71 99.342 -9.060 3.159 1.00 0.00 C ATOM 1155 O MET A 71 98.179 -8.665 3.178 1.00 0.00 O ATOM 1156 CB MET A 71 100.818 -7.776 1.591 1.00 0.00 C ATOM 1157 CG MET A 71 100.898 -7.480 0.084 1.00 0.00 C ATOM 1158 SD MET A 71 102.358 -6.465 -0.272 1.00 0.00 S ATOM 1159 CE MET A 71 102.068 -5.141 0.928 1.00 0.00 C ATOM 0 H MET A 71 98.305 -8.970 0.800 1.00 0.00 H new ATOM 0 HA MET A 71 100.874 -9.912 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.272 -6.978 2.095 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.821 -7.794 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 71 100.949 -8.414 -0.476 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.996 -6.961 -0.242 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.622 -4.251 0.629 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.003 -4.910 0.965 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.403 -5.464 1.914 1.00 0.00 H new ATOM 1169 N GLU A 72 99.999 -9.416 4.256 1.00 0.00 N ATOM 1170 CA GLU A 72 99.364 -9.356 5.570 1.00 0.00 C ATOM 1171 C GLU A 72 99.875 -8.113 6.276 1.00 0.00 C ATOM 1172 O GLU A 72 101.084 -7.882 6.304 1.00 0.00 O ATOM 1173 CB GLU A 72 99.703 -10.602 6.391 1.00 0.00 C ATOM 1174 CG GLU A 72 99.061 -10.488 7.775 1.00 0.00 C ATOM 1175 CD GLU A 72 99.043 -11.853 8.456 1.00 0.00 C ATOM 1176 OE1 GLU A 72 99.572 -12.788 7.879 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.499 -11.941 9.545 1.00 0.00 O ATOM 0 H GLU A 72 100.964 -9.747 4.265 1.00 0.00 H new ATOM 0 HA GLU A 72 98.280 -9.316 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.341 -11.496 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.784 -10.705 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.616 -9.775 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.045 -10.105 7.683 1.00 0.00 H new ATOM 1184 N ILE A 73 98.982 -7.282 6.810 1.00 0.00 N ATOM 1185 CA ILE A 73 99.434 -6.050 7.448 1.00 0.00 C ATOM 1186 C ILE A 73 98.700 -5.745 8.750 1.00 0.00 C ATOM 1187 O ILE A 73 97.577 -6.195 8.975 1.00 0.00 O ATOM 1188 CB ILE A 73 99.183 -4.890 6.491 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.682 -4.856 6.155 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.015 -5.069 5.209 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.393 -3.808 5.077 1.00 0.00 C ATOM 0 H ILE A 73 97.973 -7.432 6.815 1.00 0.00 H new ATOM 0 HA ILE A 73 100.491 -6.179 7.682 1.00 0.00 H new ATOM 0 HB ILE A 73 99.480 -3.950 6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.359 -5.838 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.108 -4.629 7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.827 -4.234 4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.074 -5.098 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.734 -6.002 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.326 -3.800 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.696 -2.824 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.951 -4.053 4.173 1.00 0.00 H new ATOM 1203 N SER A 74 99.355 -4.943 9.583 1.00 0.00 N ATOM 1204 CA SER A 74 98.791 -4.518 10.863 1.00 0.00 C ATOM 1205 C SER A 74 98.711 -2.993 10.907 1.00 0.00 C ATOM 1206 O SER A 74 99.504 -2.304 10.266 1.00 0.00 O ATOM 1207 CB SER A 74 99.659 -5.020 12.018 1.00 0.00 C ATOM 1208 OG SER A 74 100.944 -4.420 11.933 1.00 0.00 O ATOM 0 H SER A 74 100.285 -4.570 9.394 1.00 0.00 H new ATOM 0 HA SER A 74 97.791 -4.939 10.965 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.193 -4.775 12.972 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.748 -6.106 11.976 1.00 0.00 H new ATOM 0 HG SER A 74 101.555 -5.022 11.459 1.00 0.00 H new ATOM 1214 N LEU A 75 97.746 -2.472 11.658 1.00 0.00 N ATOM 1215 CA LEU A 75 97.570 -1.025 11.763 1.00 0.00 C ATOM 1216 C LEU A 75 98.761 -0.394 12.479 1.00 0.00 C ATOM 1217 O LEU A 75 99.066 -0.730 13.622 1.00 0.00 O ATOM 1218 CB LEU A 75 96.266 -0.702 12.506 1.00 0.00 C ATOM 1219 CG LEU A 75 95.676 0.613 11.987 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.213 0.448 10.536 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.480 1.007 12.854 1.00 0.00 C ATOM 0 H LEU A 75 97.079 -3.023 12.199 1.00 0.00 H new ATOM 0 HA LEU A 75 97.511 -0.607 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.549 -1.511 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.457 -0.626 13.576 1.00 0.00 H new ATOM 0 HG LEU A 75 96.441 1.388 12.032 1.00 0.00 H new ATOM 0 HD11 LEU A 75 94.796 1.389 10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.062 0.167 9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.451 -0.330 10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.057 1.943 12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.723 0.224 12.807 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.806 1.136 13.886 1.00 0.00 H new ATOM 1233 N ALA A 76 99.402 0.558 11.797 1.00 0.00 N ATOM 1234 CA ALA A 76 100.533 1.280 12.370 1.00 0.00 C ATOM 1235 C ALA A 76 100.088 2.634 12.941 1.00 0.00 C ATOM 1236 O ALA A 76 100.494 3.025 14.036 1.00 0.00 O ATOM 1237 CB ALA A 76 101.636 1.449 11.327 1.00 0.00 C ATOM 0 H ALA A 76 99.155 0.844 10.850 1.00 0.00 H new ATOM 0 HA ALA A 76 100.936 0.695 13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.474 1.989 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.973 0.468 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.249 2.010 10.476 1.00 0.00 H new ATOM 1243 N TRP A 77 99.256 3.347 12.175 1.00 0.00 N ATOM 1244 CA TRP A 77 98.758 4.667 12.590 1.00 0.00 C ATOM 1245 C TRP A 77 97.560 5.077 11.724 1.00 0.00 C ATOM 1246 O TRP A 77 97.266 4.430 10.718 1.00 0.00 O ATOM 1247 CB TRP A 77 99.872 5.707 12.417 1.00 0.00 C ATOM 1248 CG TRP A 77 100.240 5.726 10.975 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.233 4.995 10.421 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.631 6.484 9.889 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.224 5.197 9.058 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.275 6.132 8.685 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.580 7.419 9.831 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.902 6.689 7.462 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.198 7.983 8.601 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.863 7.624 7.418 1.00 0.00 C ATOM 0 H TRP A 77 98.913 3.035 11.266 1.00 0.00 H new ATOM 0 HA TRP A 77 98.449 4.615 13.634 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.532 6.691 12.740 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.736 5.451 13.031 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.920 4.358 10.958 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.842 4.716 8.404 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.064 7.705 10.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.412 6.400 6.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.388 8.697 8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.573 8.068 6.477 1.00 0.00 H new ATOM 1267 N ALA A 78 96.880 6.162 12.108 1.00 0.00 N ATOM 1268 CA ALA A 78 95.730 6.649 11.338 1.00 0.00 C ATOM 1269 C ALA A 78 95.572 8.164 11.499 1.00 0.00 C ATOM 1270 O ALA A 78 95.456 8.659 12.621 1.00 0.00 O ATOM 1271 CB ALA A 78 94.463 5.963 11.854 1.00 0.00 C ATOM 0 H ALA A 78 97.102 6.714 12.937 1.00 0.00 H new ATOM 0 HA ALA A 78 95.890 6.421 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.601 6.318 11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.558 4.884 11.732 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.326 6.198 12.909 1.00 0.00 H new ATOM 1277 N ARG A 79 95.552 8.905 10.383 1.00 0.00 N ATOM 1278 CA ARG A 79 95.387 10.360 10.464 1.00 0.00 C ATOM 1279 C ARG A 79 94.719 10.958 9.214 1.00 0.00 C ATOM 1280 O ARG A 79 95.156 10.715 8.090 1.00 0.00 O ATOM 1281 CB ARG A 79 96.759 11.017 10.719 1.00 0.00 C ATOM 1282 CG ARG A 79 96.869 12.363 9.985 1.00 0.00 C ATOM 1283 CD ARG A 79 98.121 13.116 10.453 1.00 0.00 C ATOM 1284 NE ARG A 79 98.785 13.745 9.316 1.00 0.00 N ATOM 1285 CZ ARG A 79 98.128 14.565 8.499 1.00 0.00 C ATOM 1286 NH1 ARG A 79 96.874 14.847 8.719 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.745 15.096 7.480 1.00 0.00 N ATOM 0 H ARG A 79 95.645 8.533 9.438 1.00 0.00 H new ATOM 0 HA ARG A 79 94.715 10.570 11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 79 96.900 11.169 11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.554 10.350 10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.916 12.197 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 79 95.980 12.964 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 97.846 13.873 11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.805 12.427 10.947 1.00 0.00 H new ATOM 0 HE ARG A 79 99.772 13.553 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 79 96.392 14.439 9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 79 96.375 15.476 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 79 99.728 14.882 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 79 98.245 15.725 6.852 1.00 0.00 H new ATOM 1301 N ASP A 80 93.707 11.803 9.432 1.00 0.00 N ATOM 1302 CA ASP A 80 93.041 12.507 8.330 1.00 0.00 C ATOM 1303 C ASP A 80 92.521 11.579 7.229 1.00 0.00 C ATOM 1304 O ASP A 80 92.717 11.855 6.046 1.00 0.00 O ATOM 1305 CB ASP A 80 94.011 13.525 7.716 1.00 0.00 C ATOM 1306 CG ASP A 80 94.090 14.770 8.593 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.411 14.629 9.761 1.00 0.00 O ATOM 1308 OD2 ASP A 80 93.826 15.847 8.084 1.00 0.00 O ATOM 0 H ASP A 80 93.332 12.016 10.356 1.00 0.00 H new ATOM 0 HA ASP A 80 92.169 13.000 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.001 13.080 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 80 93.679 13.797 6.714 1.00 0.00 H new ATOM 1313 N GLY A 81 91.837 10.505 7.597 1.00 0.00 N ATOM 1314 CA GLY A 81 91.286 9.604 6.588 1.00 0.00 C ATOM 1315 C GLY A 81 92.375 8.789 5.905 1.00 0.00 C ATOM 1316 O GLY A 81 92.129 8.141 4.888 1.00 0.00 O ATOM 0 H GLY A 81 91.652 10.238 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.567 8.931 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.742 10.183 5.841 1.00 0.00 H new ATOM 1320 N LEU A 82 93.567 8.806 6.483 1.00 0.00 N ATOM 1321 CA LEU A 82 94.686 8.046 5.941 1.00 0.00 C ATOM 1322 C LEU A 82 95.109 6.999 6.962 1.00 0.00 C ATOM 1323 O LEU A 82 95.151 7.279 8.159 1.00 0.00 O ATOM 1324 CB LEU A 82 95.851 8.987 5.623 1.00 0.00 C ATOM 1325 CG LEU A 82 95.360 10.123 4.716 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.543 11.007 4.312 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.716 9.537 3.455 1.00 0.00 C ATOM 0 H LEU A 82 93.785 9.337 7.326 1.00 0.00 H new ATOM 0 HA LEU A 82 94.386 7.550 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.264 9.396 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.653 8.436 5.132 1.00 0.00 H new ATOM 0 HG LEU A 82 94.625 10.719 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.192 11.813 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.003 11.430 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 82 97.278 10.408 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.369 10.347 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 82 95.450 8.937 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.871 8.909 3.736 1.00 0.00 H new ATOM 1339 N LEU A 83 95.402 5.787 6.500 1.00 0.00 N ATOM 1340 CA LEU A 83 95.794 4.723 7.417 1.00 0.00 C ATOM 1341 C LEU A 83 97.118 4.108 7.019 1.00 0.00 C ATOM 1342 O LEU A 83 97.335 3.796 5.849 1.00 0.00 O ATOM 1343 CB LEU A 83 94.754 3.600 7.351 1.00 0.00 C ATOM 1344 CG LEU A 83 93.341 4.163 7.505 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.328 3.050 7.219 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.149 4.683 8.932 1.00 0.00 C ATOM 0 H LEU A 83 95.376 5.520 5.516 1.00 0.00 H new ATOM 0 HA LEU A 83 95.871 5.160 8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.840 3.074 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.948 2.871 8.138 1.00 0.00 H new ATOM 0 HG LEU A 83 93.191 4.984 6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.317 3.442 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.469 2.682 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.477 2.232 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.141 5.084 9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.293 3.866 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.876 5.469 9.134 1.00 0.00 H new ATOM 1358 N GLY A 84 97.996 3.901 7.989 1.00 0.00 N ATOM 1359 CA GLY A 84 99.273 3.285 7.702 1.00 0.00 C ATOM 1360 C GLY A 84 99.206 1.814 8.040 1.00 0.00 C ATOM 1361 O GLY A 84 98.408 1.392 8.877 1.00 0.00 O ATOM 0 H GLY A 84 97.847 4.148 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.525 3.417 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 84 100.061 3.767 8.281 1.00 0.00 H new ATOM 1365 N PHE A 85 100.031 1.037 7.379 1.00 0.00 N ATOM 1366 CA PHE A 85 100.046 -0.392 7.607 1.00 0.00 C ATOM 1367 C PHE A 85 101.454 -0.938 7.473 1.00 0.00 C ATOM 1368 O PHE A 85 102.149 -0.642 6.503 1.00 0.00 O ATOM 1369 CB PHE A 85 99.141 -1.067 6.583 1.00 0.00 C ATOM 1370 CG PHE A 85 97.710 -1.009 7.051 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.263 -1.890 8.042 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.829 -0.079 6.490 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.934 -1.838 8.473 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.500 -0.028 6.921 1.00 0.00 C ATOM 1375 CZ PHE A 85 95.054 -0.907 7.912 1.00 0.00 C ATOM 0 H PHE A 85 100.699 1.366 6.682 1.00 0.00 H new ATOM 0 HA PHE A 85 99.689 -0.595 8.617 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.238 -0.572 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.446 -2.104 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.944 -2.609 8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.175 0.599 5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.587 -2.516 9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.819 0.690 6.489 1.00 0.00 H new ATOM 0 HZ PHE A 85 94.027 -0.867 8.245 1.00 0.00 H new ATOM 1385 N GLU A 86 101.874 -1.743 8.442 1.00 0.00 N ATOM 1386 CA GLU A 86 103.208 -2.321 8.397 1.00 0.00 C ATOM 1387 C GLU A 86 103.101 -3.785 7.974 1.00 0.00 C ATOM 1388 O GLU A 86 102.303 -4.540 8.526 1.00 0.00 O ATOM 1389 CB GLU A 86 103.870 -2.226 9.776 1.00 0.00 C ATOM 1390 CG GLU A 86 102.941 -2.818 10.838 1.00 0.00 C ATOM 1391 CD GLU A 86 103.503 -2.546 12.229 1.00 0.00 C ATOM 1392 OE1 GLU A 86 104.304 -1.634 12.355 1.00 0.00 O ATOM 1393 OE2 GLU A 86 103.125 -3.254 13.148 1.00 0.00 O ATOM 0 H GLU A 86 101.319 -2.006 9.256 1.00 0.00 H new ATOM 0 HA GLU A 86 103.818 -1.773 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.820 -2.761 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 86 104.091 -1.185 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 86 101.946 -2.383 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 86 102.835 -3.892 10.683 1.00 0.00 H new ATOM 1400 N CYS A 87 103.878 -4.169 6.968 1.00 0.00 N ATOM 1401 CA CYS A 87 103.826 -5.537 6.453 1.00 0.00 C ATOM 1402 C CYS A 87 104.530 -6.529 7.376 1.00 0.00 C ATOM 1403 O CYS A 87 105.708 -6.372 7.694 1.00 0.00 O ATOM 1404 CB CYS A 87 104.472 -5.587 5.066 1.00 0.00 C ATOM 1405 SG CYS A 87 103.866 -7.039 4.170 1.00 0.00 S ATOM 0 H CYS A 87 104.546 -3.561 6.495 1.00 0.00 H new ATOM 0 HA CYS A 87 102.777 -5.826 6.395 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.237 -4.679 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.557 -5.631 5.160 1.00 0.00 H new ATOM 0 HG CYS A 87 102.842 -7.539 4.796 1.00 0.00 H new ATOM 1411 N GLN A 88 103.796 -7.565 7.787 1.00 0.00 N ATOM 1412 CA GLN A 88 104.356 -8.598 8.659 1.00 0.00 C ATOM 1413 C GLN A 88 104.695 -9.844 7.845 1.00 0.00 C ATOM 1414 O GLN A 88 105.633 -10.572 8.172 1.00 0.00 O ATOM 1415 CB GLN A 88 103.369 -8.966 9.784 1.00 0.00 C ATOM 1416 CG GLN A 88 102.064 -8.187 9.615 1.00 0.00 C ATOM 1417 CD GLN A 88 102.298 -6.714 9.923 1.00 0.00 C ATOM 1418 OE1 GLN A 88 101.361 -5.993 10.255 1.00 0.00 O ATOM 1419 NE2 GLN A 88 103.504 -6.221 9.837 1.00 0.00 N ATOM 0 H GLN A 88 102.819 -7.710 7.532 1.00 0.00 H new ATOM 0 HA GLN A 88 105.265 -8.202 9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.167 -10.037 9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.812 -8.742 10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.692 -8.300 8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.301 -8.590 10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 88 104.282 -6.821 9.561 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.668 -5.236 10.046 1.00 0.00 H new ATOM 1428 N HIS A 89 103.938 -10.081 6.775 1.00 0.00 N ATOM 1429 CA HIS A 89 104.191 -11.237 5.924 1.00 0.00 C ATOM 1430 C HIS A 89 103.584 -11.017 4.543 1.00 0.00 C ATOM 1431 O HIS A 89 102.497 -10.467 4.412 1.00 0.00 O ATOM 1432 CB HIS A 89 103.595 -12.500 6.572 1.00 0.00 C ATOM 1433 CG HIS A 89 102.904 -13.346 5.531 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.494 -13.644 4.311 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.673 -13.952 5.509 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.624 -14.397 3.613 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.498 -14.616 4.297 1.00 0.00 N ATOM 0 H HIS A 89 103.156 -9.496 6.481 1.00 0.00 H new ATOM 0 HA HIS A 89 105.267 -11.368 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.384 -13.077 7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 89 102.886 -12.218 7.350 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.949 -13.919 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.813 -14.778 2.620 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.685 -15.154 3.997 1.00 0.00 H new ATOM 1445 N ILE A 90 104.309 -11.445 3.521 1.00 0.00 N ATOM 1446 CA ILE A 90 103.865 -11.292 2.142 1.00 0.00 C ATOM 1447 C ILE A 90 104.337 -12.478 1.306 1.00 0.00 C ATOM 1448 O ILE A 90 105.443 -12.987 1.488 1.00 0.00 O ATOM 1449 CB ILE A 90 104.399 -9.977 1.576 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.110 -9.901 0.073 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.907 -9.897 1.824 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.590 -8.556 -0.475 1.00 0.00 C ATOM 0 H ILE A 90 105.214 -11.904 3.621 1.00 0.00 H new ATOM 0 HA ILE A 90 102.776 -11.267 2.110 1.00 0.00 H new ATOM 0 HB ILE A 90 103.906 -9.140 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.613 -10.717 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.042 -10.019 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.293 -8.960 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.102 -9.940 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.402 -10.734 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.384 -8.504 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 90 104.067 -7.747 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.662 -8.457 -0.307 1.00 0.00 H new ATOM 1464 N ASP A 91 103.462 -12.925 0.407 1.00 0.00 N ATOM 1465 CA ASP A 91 103.757 -14.075 -0.447 1.00 0.00 C ATOM 1466 C ASP A 91 105.073 -13.901 -1.208 1.00 0.00 C ATOM 1467 O ASP A 91 105.417 -12.807 -1.654 1.00 0.00 O ATOM 1468 CB ASP A 91 102.601 -14.293 -1.436 1.00 0.00 C ATOM 1469 CG ASP A 91 101.946 -15.651 -1.197 1.00 0.00 C ATOM 1470 OD1 ASP A 91 101.725 -15.985 -0.046 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.674 -16.334 -2.170 1.00 0.00 O ATOM 0 H ASP A 91 102.544 -12.509 0.251 1.00 0.00 H new ATOM 0 HA ASP A 91 103.865 -14.949 0.195 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.862 -13.500 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.973 -14.237 -2.459 1.00 0.00 H new ATOM 1476 N LEU A 92 105.801 -15.007 -1.343 1.00 0.00 N ATOM 1477 CA LEU A 92 107.083 -14.989 -2.044 1.00 0.00 C ATOM 1478 C LEU A 92 106.910 -14.401 -3.443 1.00 0.00 C ATOM 1479 O LEU A 92 107.728 -13.600 -3.898 1.00 0.00 O ATOM 1480 CB LEU A 92 107.638 -16.414 -2.151 1.00 0.00 C ATOM 1481 CG LEU A 92 109.090 -16.373 -2.650 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.043 -16.182 -1.466 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.423 -17.689 -3.358 1.00 0.00 C ATOM 0 H LEU A 92 105.528 -15.920 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 92 107.782 -14.370 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.592 -16.906 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.026 -17.002 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 92 109.206 -15.541 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 92 111.071 -16.154 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.811 -15.245 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.926 -17.011 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.453 -17.661 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.302 -18.518 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.751 -17.826 -4.205 1.00 0.00 H new ATOM 1495 N ASP A 93 105.836 -14.795 -4.115 1.00 0.00 N ATOM 1496 CA ASP A 93 105.559 -14.294 -5.454 1.00 0.00 C ATOM 1497 C ASP A 93 105.187 -12.819 -5.392 1.00 0.00 C ATOM 1498 O ASP A 93 105.631 -12.019 -6.214 1.00 0.00 O ATOM 1499 CB ASP A 93 104.414 -15.086 -6.086 1.00 0.00 C ATOM 1500 CG ASP A 93 103.187 -15.035 -5.182 1.00 0.00 C ATOM 1501 OD1 ASP A 93 102.416 -14.099 -5.316 1.00 0.00 O ATOM 1502 OD2 ASP A 93 103.036 -15.932 -4.369 1.00 0.00 O ATOM 0 H ASP A 93 105.146 -15.456 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 93 106.455 -14.413 -6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.172 -14.674 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 93 104.719 -16.121 -6.242 1.00 0.00 H new ATOM 1507 N SER A 94 104.374 -12.467 -4.401 1.00 0.00 N ATOM 1508 CA SER A 94 103.952 -11.086 -4.229 1.00 0.00 C ATOM 1509 C SER A 94 105.168 -10.194 -4.003 1.00 0.00 C ATOM 1510 O SER A 94 105.224 -9.067 -4.496 1.00 0.00 O ATOM 1511 CB SER A 94 102.997 -10.975 -3.039 1.00 0.00 C ATOM 1512 OG SER A 94 103.398 -11.884 -2.027 1.00 0.00 O ATOM 0 H SER A 94 103.998 -13.116 -3.710 1.00 0.00 H new ATOM 0 HA SER A 94 103.435 -10.760 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.000 -9.957 -2.650 1.00 0.00 H new ATOM 0 HB3 SER A 94 101.977 -11.193 -3.356 1.00 0.00 H new ATOM 0 HG SER A 94 104.376 -11.903 -1.973 1.00 0.00 H new ATOM 1518 N ILE A 95 106.144 -10.713 -3.263 1.00 0.00 N ATOM 1519 CA ILE A 95 107.360 -9.959 -2.987 1.00 0.00 C ATOM 1520 C ILE A 95 108.050 -9.584 -4.289 1.00 0.00 C ATOM 1521 O ILE A 95 108.613 -8.498 -4.415 1.00 0.00 O ATOM 1522 CB ILE A 95 108.326 -10.790 -2.133 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.800 -10.884 -0.698 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.707 -10.125 -2.125 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.649 -11.880 0.103 1.00 0.00 C ATOM 0 H ILE A 95 106.116 -11.644 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 95 107.083 -9.056 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 95 108.405 -11.792 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.831 -9.903 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.758 -11.203 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.392 -10.717 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.087 -10.063 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.625 -9.122 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.270 -11.943 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.595 -12.863 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.685 -11.543 0.121 1.00 0.00 H new ATOM 1537 N SER A 96 108.022 -10.499 -5.251 1.00 0.00 N ATOM 1538 CA SER A 96 108.676 -10.244 -6.526 1.00 0.00 C ATOM 1539 C SER A 96 107.924 -9.185 -7.323 1.00 0.00 C ATOM 1540 O SER A 96 108.543 -8.326 -7.949 1.00 0.00 O ATOM 1541 CB SER A 96 108.796 -11.529 -7.338 1.00 0.00 C ATOM 1542 OG SER A 96 110.109 -11.630 -7.875 1.00 0.00 O ATOM 0 H SER A 96 107.563 -11.407 -5.175 1.00 0.00 H new ATOM 0 HA SER A 96 109.678 -9.869 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.582 -12.392 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.061 -11.533 -8.143 1.00 0.00 H new ATOM 0 HG SER A 96 110.187 -12.457 -8.395 1.00 0.00 H new ATOM 1548 N HIS A 97 106.598 -9.238 -7.306 1.00 0.00 N ATOM 1549 CA HIS A 97 105.822 -8.255 -8.045 1.00 0.00 C ATOM 1550 C HIS A 97 106.055 -6.863 -7.459 1.00 0.00 C ATOM 1551 O HIS A 97 106.256 -5.895 -8.191 1.00 0.00 O ATOM 1552 CB HIS A 97 104.334 -8.595 -7.997 1.00 0.00 C ATOM 1553 CG HIS A 97 104.011 -9.685 -8.974 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.759 -9.427 -10.311 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.861 -11.038 -8.818 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.469 -10.598 -10.902 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.520 -11.615 -10.037 1.00 0.00 N ATOM 0 H HIS A 97 106.049 -9.934 -6.801 1.00 0.00 H new ATOM 0 HA HIS A 97 106.147 -8.269 -9.085 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.059 -8.909 -6.990 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.745 -7.707 -8.226 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.988 -11.575 -7.890 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.224 -10.704 -11.949 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.346 -12.602 -10.229 1.00 0.00 H new ATOM 1565 N LEU A 98 106.038 -6.773 -6.136 1.00 0.00 N ATOM 1566 CA LEU A 98 106.264 -5.496 -5.466 1.00 0.00 C ATOM 1567 C LEU A 98 107.714 -5.040 -5.663 1.00 0.00 C ATOM 1568 O LEU A 98 107.982 -3.846 -5.789 1.00 0.00 O ATOM 1569 CB LEU A 98 105.945 -5.627 -3.969 1.00 0.00 C ATOM 1570 CG LEU A 98 105.369 -4.312 -3.419 1.00 0.00 C ATOM 1571 CD1 LEU A 98 106.332 -3.158 -3.717 1.00 0.00 C ATOM 1572 CD2 LEU A 98 104.002 -4.025 -4.062 1.00 0.00 C ATOM 0 H LEU A 98 105.872 -7.560 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 98 105.604 -4.747 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 98 105.231 -6.436 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 98 106.850 -5.891 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 98 105.242 -4.406 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 98 105.919 -2.229 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.294 -3.355 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 98 106.469 -3.068 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 103.602 -3.091 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 98 104.119 -3.940 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 98 103.315 -4.840 -3.834 1.00 0.00 H new ATOM 1584 N ARG A 99 108.644 -5.990 -5.685 1.00 0.00 N ATOM 1585 CA ARG A 99 110.058 -5.655 -5.861 1.00 0.00 C ATOM 1586 C ARG A 99 110.327 -5.073 -7.251 1.00 0.00 C ATOM 1587 O ARG A 99 111.046 -4.083 -7.383 1.00 0.00 O ATOM 1588 CB ARG A 99 110.930 -6.897 -5.639 1.00 0.00 C ATOM 1589 CG ARG A 99 111.242 -7.047 -4.145 1.00 0.00 C ATOM 1590 CD ARG A 99 112.123 -8.279 -3.917 1.00 0.00 C ATOM 1591 NE ARG A 99 113.533 -7.927 -4.070 1.00 0.00 N ATOM 1592 CZ ARG A 99 114.202 -8.192 -5.191 1.00 0.00 C ATOM 1593 NH1 ARG A 99 113.604 -8.778 -6.192 1.00 0.00 N ATOM 1594 NH2 ARG A 99 115.462 -7.864 -5.289 1.00 0.00 N ATOM 0 H ARG A 99 108.451 -6.986 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 99 110.313 -4.897 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.415 -7.785 -6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.856 -6.810 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 99 111.749 -6.154 -3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 99 110.315 -7.142 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 99 111.947 -8.681 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 99 111.857 -9.062 -4.627 1.00 0.00 H new ATOM 0 HE ARG A 99 114.017 -7.467 -3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 99 112.620 -9.035 -6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 99 114.121 -8.979 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 99 115.932 -7.406 -4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 99 115.976 -8.066 -6.146 1.00 0.00 H new ATOM 1608 N ARG A 100 109.718 -5.655 -8.282 1.00 0.00 N ATOM 1609 CA ARG A 100 109.887 -5.120 -9.633 1.00 0.00 C ATOM 1610 C ARG A 100 109.187 -3.766 -9.739 1.00 0.00 C ATOM 1611 O ARG A 100 109.700 -2.857 -10.388 1.00 0.00 O ATOM 1612 CB ARG A 100 109.438 -6.098 -10.724 1.00 0.00 C ATOM 1613 CG ARG A 100 107.974 -6.474 -10.509 1.00 0.00 C ATOM 1614 CD ARG A 100 107.613 -7.671 -11.392 1.00 0.00 C ATOM 1615 NE ARG A 100 108.348 -7.614 -12.653 1.00 0.00 N ATOM 1616 CZ ARG A 100 109.466 -8.314 -12.843 1.00 0.00 C ATOM 1617 NH1 ARG A 100 109.947 -9.059 -11.885 1.00 0.00 N ATOM 1618 NH2 ARG A 100 110.086 -8.249 -13.990 1.00 0.00 N ATOM 0 H ARG A 100 109.117 -6.477 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 100 110.953 -4.975 -9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 100 109.566 -5.645 -11.707 1.00 0.00 H new ATOM 0 HB3 ARG A 100 110.060 -6.993 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 100 107.802 -6.718 -9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 100 107.332 -5.626 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 100 107.845 -8.599 -10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 100 106.541 -7.676 -11.589 1.00 0.00 H new ATOM 0 HE ARG A 100 107.997 -7.024 -13.407 1.00 0.00 H new ATOM 0 HH11 ARG A 100 109.467 -9.107 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 100 110.803 -9.593 -12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 100 109.715 -7.663 -14.738 1.00 0.00 H new ATOM 0 HH22 ARG A 100 110.942 -8.784 -14.138 1.00 0.00 H new ATOM 1632 N LEU A 101 108.048 -3.606 -9.071 1.00 0.00 N ATOM 1633 CA LEU A 101 107.350 -2.322 -9.079 1.00 0.00 C ATOM 1634 C LEU A 101 108.291 -1.252 -8.546 1.00 0.00 C ATOM 1635 O LEU A 101 108.275 -0.110 -9.003 1.00 0.00 O ATOM 1636 CB LEU A 101 106.110 -2.406 -8.167 1.00 0.00 C ATOM 1637 CG LEU A 101 104.831 -2.540 -9.010 1.00 0.00 C ATOM 1638 CD1 LEU A 101 105.023 -3.605 -10.099 1.00 0.00 C ATOM 1639 CD2 LEU A 101 103.656 -2.936 -8.103 1.00 0.00 C ATOM 0 H LEU A 101 107.593 -4.337 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 101 107.037 -2.076 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 101 106.202 -3.260 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 101 106.049 -1.515 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 101 104.618 -1.583 -9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 101 104.111 -3.691 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 101 105.849 -3.316 -10.748 1.00 0.00 H new ATOM 0 HD13 LEU A 101 105.245 -4.565 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 101 102.750 -3.031 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 101 103.874 -3.889 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 101 103.509 -2.170 -7.342 1.00 0.00 H new ATOM 1651 N VAL A 102 109.121 -1.641 -7.588 1.00 0.00 N ATOM 1652 CA VAL A 102 110.084 -0.720 -7.003 1.00 0.00 C ATOM 1653 C VAL A 102 111.158 -0.363 -8.024 1.00 0.00 C ATOM 1654 O VAL A 102 111.516 0.804 -8.182 1.00 0.00 O ATOM 1655 CB VAL A 102 110.734 -1.361 -5.773 1.00 0.00 C ATOM 1656 CG1 VAL A 102 111.777 -0.403 -5.191 1.00 0.00 C ATOM 1657 CG2 VAL A 102 109.659 -1.671 -4.713 1.00 0.00 C ATOM 0 H VAL A 102 109.147 -2.584 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 102 109.564 0.190 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 102 111.220 -2.292 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 102 112.240 -0.858 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 102 112.541 -0.198 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 102 111.293 0.530 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 102 110.128 -2.127 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 102 109.163 -0.747 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 102 108.924 -2.359 -5.131 1.00 0.00 H new ATOM 1667 N GLU A 103 111.665 -1.377 -8.716 1.00 0.00 N ATOM 1668 CA GLU A 103 112.698 -1.162 -9.724 1.00 0.00 C ATOM 1669 C GLU A 103 112.163 -0.311 -10.868 1.00 0.00 C ATOM 1670 O GLU A 103 112.890 0.500 -11.443 1.00 0.00 O ATOM 1671 CB GLU A 103 113.175 -2.504 -10.278 1.00 0.00 C ATOM 1672 CG GLU A 103 114.006 -3.230 -9.221 1.00 0.00 C ATOM 1673 CD GLU A 103 114.181 -4.693 -9.613 1.00 0.00 C ATOM 1674 OE1 GLU A 103 114.923 -4.951 -10.545 1.00 0.00 O ATOM 1675 OE2 GLU A 103 113.567 -5.534 -8.975 1.00 0.00 O ATOM 0 H GLU A 103 111.381 -2.350 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 103 113.531 -0.641 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 103 112.319 -3.115 -10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 103 113.770 -2.346 -11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 103 114.981 -2.752 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 103 113.516 -3.161 -8.250 1.00 0.00 H new ATOM 1682 N LEU A 104 110.891 -0.506 -11.199 1.00 0.00 N ATOM 1683 CA LEU A 104 110.275 0.244 -12.284 1.00 0.00 C ATOM 1684 C LEU A 104 110.028 1.689 -11.864 1.00 0.00 C ATOM 1685 O LEU A 104 110.270 2.617 -12.635 1.00 0.00 O ATOM 1686 CB LEU A 104 108.949 -0.407 -12.686 1.00 0.00 C ATOM 1687 CG LEU A 104 109.219 -1.757 -13.368 1.00 0.00 C ATOM 1688 CD1 LEU A 104 108.062 -2.718 -13.087 1.00 0.00 C ATOM 1689 CD2 LEU A 104 109.346 -1.549 -14.881 1.00 0.00 C ATOM 0 H LEU A 104 110.272 -1.171 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 104 110.955 0.236 -13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 104 108.323 -0.552 -11.806 1.00 0.00 H new ATOM 0 HB3 LEU A 104 108.401 0.249 -13.362 1.00 0.00 H new ATOM 0 HG LEU A 104 110.145 -2.178 -12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 104 108.257 -3.674 -13.572 1.00 0.00 H new ATOM 0 HD12 LEU A 104 107.968 -2.869 -12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 104 107.136 -2.296 -13.477 1.00 0.00 H new ATOM 0 HD21 LEU A 104 109.538 -2.507 -15.365 1.00 0.00 H new ATOM 0 HD22 LEU A 104 108.420 -1.125 -15.269 1.00 0.00 H new ATOM 0 HD23 LEU A 104 110.171 -0.867 -15.087 1.00 0.00 H new ATOM 1701 N ASN A 105 109.546 1.874 -10.639 1.00 0.00 N ATOM 1702 CA ASN A 105 109.275 3.215 -10.134 1.00 0.00 C ATOM 1703 C ASN A 105 110.544 4.063 -10.165 1.00 0.00 C ATOM 1704 O ASN A 105 110.542 5.179 -10.682 1.00 0.00 O ATOM 1705 CB ASN A 105 108.736 3.130 -8.697 1.00 0.00 C ATOM 1706 CG ASN A 105 107.329 3.715 -8.623 1.00 0.00 C ATOM 1707 OD1 ASN A 105 107.073 4.622 -7.832 1.00 0.00 O ATOM 1708 ND2 ASN A 105 106.396 3.249 -9.409 1.00 0.00 N ATOM 0 H ASN A 105 109.337 1.121 -9.984 1.00 0.00 H new ATOM 0 HA ASN A 105 108.527 3.686 -10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 105 108.723 2.091 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 105 109.398 3.671 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 105 105.454 3.637 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 105 106.610 2.497 -10.064 1.00 0.00 H new ATOM 1715 N LEU A 106 111.625 3.523 -9.611 1.00 0.00 N ATOM 1716 CA LEU A 106 112.895 4.240 -9.583 1.00 0.00 C ATOM 1717 C LEU A 106 113.389 4.497 -11.005 1.00 0.00 C ATOM 1718 O LEU A 106 114.146 5.435 -11.249 1.00 0.00 O ATOM 1719 CB LEU A 106 113.940 3.423 -8.809 1.00 0.00 C ATOM 1720 CG LEU A 106 113.930 3.826 -7.330 1.00 0.00 C ATOM 1721 CD1 LEU A 106 112.571 3.490 -6.709 1.00 0.00 C ATOM 1722 CD2 LEU A 106 115.028 3.058 -6.591 1.00 0.00 C ATOM 0 H LEU A 106 111.648 2.599 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 106 112.746 5.197 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 106 113.726 2.359 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 106 114.930 3.589 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 106 114.108 4.898 -7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 106 112.570 3.779 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 106 111.786 4.033 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.388 2.419 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 106 115.025 3.341 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 106 114.845 1.987 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 106 115.997 3.298 -7.028 1.00 0.00 H new ATOM 1734 N GLY A 107 112.955 3.653 -11.939 1.00 0.00 N ATOM 1735 CA GLY A 107 113.357 3.790 -13.335 1.00 0.00 C ATOM 1736 C GLY A 107 114.273 2.645 -13.743 1.00 0.00 C ATOM 1737 O GLY A 107 114.241 1.569 -13.145 1.00 0.00 O ATOM 0 H GLY A 107 112.327 2.870 -11.754 1.00 0.00 H new ATOM 0 HA2 GLY A 107 112.474 3.802 -13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 107 113.868 4.742 -13.480 1.00 0.00 H new ATOM 1741 N ASP A 108 115.093 2.881 -14.763 1.00 0.00 N ATOM 1742 CA ASP A 108 116.018 1.858 -15.240 1.00 0.00 C ATOM 1743 C ASP A 108 117.400 2.066 -14.629 1.00 0.00 C ATOM 1744 O ASP A 108 117.661 3.088 -13.993 1.00 0.00 O ATOM 1745 CB ASP A 108 116.116 1.913 -16.765 1.00 0.00 C ATOM 1746 CG ASP A 108 117.134 0.891 -17.258 1.00 0.00 C ATOM 1747 OD1 ASP A 108 117.025 -0.260 -16.870 1.00 0.00 O ATOM 1748 OD2 ASP A 108 118.009 1.273 -18.019 1.00 0.00 O ATOM 0 H ASP A 108 115.136 3.764 -15.272 1.00 0.00 H new ATOM 0 HA ASP A 108 115.642 0.881 -14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 108 115.141 1.710 -17.208 1.00 0.00 H new ATOM 0 HB3 ASP A 108 116.409 2.913 -17.083 1.00 0.00 H new ATOM 1753 N GLU A 109 118.281 1.092 -14.826 1.00 0.00 N ATOM 1754 CA GLU A 109 119.634 1.180 -14.288 1.00 0.00 C ATOM 1755 C GLU A 109 120.415 2.293 -14.980 1.00 0.00 C ATOM 1756 O GLU A 109 121.488 2.058 -15.537 1.00 0.00 O ATOM 1757 CB GLU A 109 120.363 -0.152 -14.483 1.00 0.00 C ATOM 1758 CG GLU A 109 120.341 -0.546 -15.969 1.00 0.00 C ATOM 1759 CD GLU A 109 121.746 -0.911 -16.441 1.00 0.00 C ATOM 1760 OE1 GLU A 109 122.654 -0.134 -16.191 1.00 0.00 O ATOM 1761 OE2 GLU A 109 121.894 -1.961 -17.046 1.00 0.00 O ATOM 0 H GLU A 109 118.086 0.239 -15.350 1.00 0.00 H new ATOM 0 HA GLU A 109 119.566 1.405 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 109 121.393 -0.068 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 109 119.887 -0.929 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 109 119.669 -1.391 -16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 109 119.953 0.280 -16.565 1.00 0.00 H new ATOM 1768 N GLU A 110 119.870 3.504 -14.941 1.00 0.00 N ATOM 1769 CA GLU A 110 120.526 4.647 -15.567 1.00 0.00 C ATOM 1770 C GLU A 110 122.008 4.679 -15.199 1.00 0.00 C ATOM 1771 O GLU A 110 122.474 3.873 -14.392 1.00 0.00 O ATOM 1772 CB GLU A 110 119.846 5.946 -15.117 1.00 0.00 C ATOM 1773 CG GLU A 110 119.741 6.918 -16.297 1.00 0.00 C ATOM 1774 CD GLU A 110 119.523 8.339 -15.786 1.00 0.00 C ATOM 1775 OE1 GLU A 110 118.626 8.526 -14.981 1.00 0.00 O ATOM 1776 OE2 GLU A 110 120.255 9.219 -16.210 1.00 0.00 O ATOM 0 H GLU A 110 118.983 3.719 -14.486 1.00 0.00 H new ATOM 0 HA GLU A 110 120.439 4.552 -16.649 1.00 0.00 H new ATOM 0 HB2 GLU A 110 118.853 5.729 -14.724 1.00 0.00 H new ATOM 0 HB3 GLU A 110 120.416 6.403 -14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 110 120.650 6.874 -16.897 1.00 0.00 H new ATOM 0 HG3 GLU A 110 118.916 6.626 -16.947 1.00 0.00 H new ATOM 1783 N LEU A 111 122.746 5.612 -15.794 1.00 0.00 N ATOM 1784 CA LEU A 111 124.174 5.734 -15.519 1.00 0.00 C ATOM 1785 C LEU A 111 124.416 6.044 -14.044 1.00 0.00 C ATOM 1786 O LEU A 111 125.415 5.614 -13.467 1.00 0.00 O ATOM 1787 CB LEU A 111 124.783 6.839 -16.389 1.00 0.00 C ATOM 1788 CG LEU A 111 124.294 6.684 -17.842 1.00 0.00 C ATOM 1789 CD1 LEU A 111 123.287 7.789 -18.180 1.00 0.00 C ATOM 1790 CD2 LEU A 111 125.488 6.780 -18.799 1.00 0.00 C ATOM 0 H LEU A 111 122.383 6.289 -16.464 1.00 0.00 H new ATOM 0 HA LEU A 111 124.652 4.784 -15.757 1.00 0.00 H new ATOM 0 HB2 LEU A 111 124.499 7.818 -16.002 1.00 0.00 H new ATOM 0 HB3 LEU A 111 125.871 6.785 -16.353 1.00 0.00 H new ATOM 0 HG LEU A 111 123.812 5.713 -17.950 1.00 0.00 H new ATOM 0 HD11 LEU A 111 122.948 7.670 -19.209 1.00 0.00 H new ATOM 0 HD12 LEU A 111 122.433 7.721 -17.506 1.00 0.00 H new ATOM 0 HD13 LEU A 111 123.763 8.763 -18.065 1.00 0.00 H new ATOM 0 HD21 LEU A 111 125.141 6.670 -19.826 1.00 0.00 H new ATOM 0 HD22 LEU A 111 125.972 7.750 -18.681 1.00 0.00 H new ATOM 0 HD23 LEU A 111 126.202 5.988 -18.571 1.00 0.00 H new ATOM 1802 N LEU A 112 123.496 6.789 -13.438 1.00 0.00 N ATOM 1803 CA LEU A 112 123.624 7.142 -12.027 1.00 0.00 C ATOM 1804 C LEU A 112 122.257 7.461 -11.427 1.00 0.00 C ATOM 1805 O LEU A 112 121.275 7.628 -12.149 1.00 0.00 O ATOM 1806 CB LEU A 112 124.583 8.340 -11.868 1.00 0.00 C ATOM 1807 CG LEU A 112 123.805 9.661 -11.752 1.00 0.00 C ATOM 1808 CD1 LEU A 112 124.798 10.825 -11.672 1.00 0.00 C ATOM 1809 CD2 LEU A 112 122.894 9.848 -12.977 1.00 0.00 C ATOM 0 H LEU A 112 122.662 7.157 -13.896 1.00 0.00 H new ATOM 0 HA LEU A 112 124.038 6.290 -11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 112 125.201 8.200 -10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 112 125.258 8.386 -12.723 1.00 0.00 H new ATOM 0 HG LEU A 112 123.189 9.637 -10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 112 124.251 11.764 -11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 112 125.437 10.699 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 112 125.413 10.841 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU A 112 122.348 10.787 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 112 123.501 9.869 -13.882 1.00 0.00 H new ATOM 0 HD23 LEU A 112 122.187 9.021 -13.034 1.00 0.00 H new ATOM 1821 N GLU A 113 122.205 7.542 -10.099 1.00 0.00 N ATOM 1822 CA GLU A 113 120.956 7.842 -9.406 1.00 0.00 C ATOM 1823 C GLU A 113 121.192 7.965 -7.902 1.00 0.00 C ATOM 1824 O GLU A 113 121.361 6.962 -7.211 1.00 0.00 O ATOM 1825 CB GLU A 113 119.928 6.736 -9.668 1.00 0.00 C ATOM 1826 CG GLU A 113 118.526 7.251 -9.338 1.00 0.00 C ATOM 1827 CD GLU A 113 118.049 8.204 -10.428 1.00 0.00 C ATOM 1828 OE1 GLU A 113 118.322 7.931 -11.586 1.00 0.00 O ATOM 1829 OE2 GLU A 113 117.420 9.192 -10.091 1.00 0.00 O ATOM 0 H GLU A 113 123.008 7.405 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 113 120.576 8.790 -9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 113 119.975 6.421 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 113 120.157 5.861 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 113 117.834 6.414 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 113 118.535 7.762 -8.375 1.00 0.00 H new ATOM 1836 N ARG A 114 121.197 9.197 -7.403 1.00 0.00 N ATOM 1837 CA ARG A 114 121.409 9.430 -5.978 1.00 0.00 C ATOM 1838 C ARG A 114 120.426 8.597 -5.156 1.00 0.00 C ATOM 1839 O ARG A 114 119.706 7.760 -5.700 1.00 0.00 O ATOM 1840 CB ARG A 114 121.229 10.923 -5.661 1.00 0.00 C ATOM 1841 CG ARG A 114 122.601 11.601 -5.549 1.00 0.00 C ATOM 1842 CD ARG A 114 123.327 11.116 -4.287 1.00 0.00 C ATOM 1843 NE ARG A 114 124.579 10.461 -4.644 1.00 0.00 N ATOM 1844 CZ ARG A 114 125.157 9.588 -3.824 1.00 0.00 C ATOM 1845 NH1 ARG A 114 124.603 9.311 -2.675 1.00 0.00 N ATOM 1846 NH2 ARG A 114 126.276 9.011 -4.165 1.00 0.00 N ATOM 0 H ARG A 114 121.058 10.042 -7.957 1.00 0.00 H new ATOM 0 HA ARG A 114 122.424 9.131 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 114 120.640 11.402 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 114 120.677 11.042 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 114 123.200 11.376 -6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 114 122.479 12.684 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 114 123.526 11.960 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 114 122.690 10.423 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 114 125.020 10.676 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 114 123.729 9.764 -2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 114 125.044 8.642 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 114 126.710 9.229 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 114 126.718 8.342 -3.534 1.00 0.00 H new ATOM 1860 N GLU A 115 120.400 8.833 -3.846 1.00 0.00 N ATOM 1861 CA GLU A 115 119.497 8.097 -2.965 1.00 0.00 C ATOM 1862 C GLU A 115 119.874 6.616 -2.928 1.00 0.00 C ATOM 1863 O GLU A 115 119.241 5.818 -2.236 1.00 0.00 O ATOM 1864 CB GLU A 115 118.052 8.252 -3.455 1.00 0.00 C ATOM 1865 CG GLU A 115 117.819 9.698 -3.914 1.00 0.00 C ATOM 1866 CD GLU A 115 116.334 10.036 -3.853 1.00 0.00 C ATOM 1867 OE1 GLU A 115 115.741 9.828 -2.806 1.00 0.00 O ATOM 1868 OE2 GLU A 115 115.811 10.503 -4.852 1.00 0.00 O ATOM 0 H GLU A 115 120.988 9.521 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 115 119.584 8.505 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 115 117.860 7.563 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 115 117.356 7.996 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 115 118.382 10.384 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 115 118.188 9.828 -4.931 1.00 0.00 H new ATOM 1875 N LEU A 116 120.909 6.264 -3.682 1.00 0.00 N ATOM 1876 CA LEU A 116 121.376 4.881 -3.749 1.00 0.00 C ATOM 1877 C LEU A 116 121.973 4.414 -2.420 1.00 0.00 C ATOM 1878 O LEU A 116 121.740 3.284 -1.991 1.00 0.00 O ATOM 1879 CB LEU A 116 122.435 4.752 -4.852 1.00 0.00 C ATOM 1880 CG LEU A 116 123.644 5.651 -4.535 1.00 0.00 C ATOM 1881 CD1 LEU A 116 124.787 4.806 -3.962 1.00 0.00 C ATOM 1882 CD2 LEU A 116 124.127 6.336 -5.819 1.00 0.00 C ATOM 0 H LEU A 116 121.442 6.917 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 116 120.515 4.250 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 116 122.757 3.714 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 116 122.005 5.033 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 116 123.343 6.402 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 116 125.639 5.449 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 116 124.454 4.316 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 116 125.082 4.051 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 116 124.983 6.972 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.420 5.579 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 116 123.322 6.944 -6.232 1.00 0.00 H new ATOM 1894 N ALA A 117 122.744 5.285 -1.775 1.00 0.00 N ATOM 1895 CA ALA A 117 123.373 4.951 -0.497 1.00 0.00 C ATOM 1896 C ALA A 117 122.347 4.825 0.628 1.00 0.00 C ATOM 1897 O ALA A 117 122.607 4.176 1.639 1.00 0.00 O ATOM 1898 CB ALA A 117 124.441 5.983 -0.132 1.00 0.00 C ATOM 0 H ALA A 117 122.949 6.225 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 117 123.851 3.979 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 117 124.895 5.715 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 117 125.208 6.003 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 117 123.982 6.968 -0.051 1.00 0.00 H new ATOM 1904 N LEU A 118 121.204 5.478 0.474 1.00 0.00 N ATOM 1905 CA LEU A 118 120.179 5.457 1.515 1.00 0.00 C ATOM 1906 C LEU A 118 119.779 4.028 1.892 1.00 0.00 C ATOM 1907 O LEU A 118 119.423 3.776 3.042 1.00 0.00 O ATOM 1908 CB LEU A 118 118.944 6.228 1.052 1.00 0.00 C ATOM 1909 CG LEU A 118 119.291 7.708 0.854 1.00 0.00 C ATOM 1910 CD1 LEU A 118 118.060 8.451 0.325 1.00 0.00 C ATOM 1911 CD2 LEU A 118 119.727 8.329 2.190 1.00 0.00 C ATOM 0 H LEU A 118 120.962 6.025 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 118 120.602 5.933 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 118 118.571 5.806 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 118 118.146 6.129 1.788 1.00 0.00 H new ATOM 0 HG LEU A 118 120.109 7.792 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 118 118.304 9.504 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 118 117.755 8.018 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 118 117.244 8.361 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 118 119.972 9.381 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 118 118.915 8.245 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 118 120.604 7.803 2.567 1.00 0.00 H new ATOM 1923 N LEU A 119 119.811 3.099 0.940 1.00 0.00 N ATOM 1924 CA LEU A 119 119.415 1.724 1.247 1.00 0.00 C ATOM 1925 C LEU A 119 120.253 1.201 2.413 1.00 0.00 C ATOM 1926 O LEU A 119 119.897 0.215 3.058 1.00 0.00 O ATOM 1927 CB LEU A 119 119.617 0.832 0.016 1.00 0.00 C ATOM 1928 CG LEU A 119 118.420 0.965 -0.935 1.00 0.00 C ATOM 1929 CD1 LEU A 119 117.175 0.304 -0.321 1.00 0.00 C ATOM 1930 CD2 LEU A 119 118.142 2.450 -1.200 1.00 0.00 C ATOM 0 H LEU A 119 120.098 3.263 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 119 118.361 1.707 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 119 120.535 1.114 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 119 119.732 -0.207 0.325 1.00 0.00 H new ATOM 0 HG LEU A 119 118.654 0.464 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 119 116.334 0.406 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 119 117.374 -0.753 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 119 116.934 0.790 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 119 117.292 2.546 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 119 117.916 2.951 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 119 119.020 2.909 -1.654 1.00 0.00 H new ATOM 1942 N VAL A 120 121.358 1.888 2.681 1.00 0.00 N ATOM 1943 CA VAL A 120 122.252 1.525 3.777 1.00 0.00 C ATOM 1944 C VAL A 120 121.501 1.525 5.108 1.00 0.00 C ATOM 1945 O VAL A 120 122.077 1.253 6.161 1.00 0.00 O ATOM 1946 CB VAL A 120 123.374 2.569 3.848 1.00 0.00 C ATOM 1947 CG1 VAL A 120 124.201 2.363 5.123 1.00 0.00 C ATOM 1948 CG2 VAL A 120 124.283 2.418 2.620 1.00 0.00 C ATOM 0 H VAL A 120 121.659 2.706 2.150 1.00 0.00 H new ATOM 0 HA VAL A 120 122.652 0.527 3.598 1.00 0.00 H new ATOM 0 HB VAL A 120 122.937 3.567 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 120 124.995 3.108 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 120 123.557 2.469 5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 120 124.640 1.365 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 120 125.082 3.158 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 120 124.715 1.417 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 120 123.698 2.571 1.713 1.00 0.00 H new ATOM 1958 N SER A 121 120.211 1.839 5.049 1.00 0.00 N ATOM 1959 CA SER A 121 119.385 1.883 6.251 1.00 0.00 C ATOM 1960 C SER A 121 119.153 0.484 6.815 1.00 0.00 C ATOM 1961 O SER A 121 118.780 0.332 7.976 1.00 0.00 O ATOM 1962 CB SER A 121 118.040 2.534 5.932 1.00 0.00 C ATOM 1963 OG SER A 121 117.390 2.886 7.146 1.00 0.00 O ATOM 0 H SER A 121 119.716 2.066 4.186 1.00 0.00 H new ATOM 0 HA SER A 121 119.912 2.472 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 121 118.189 3.420 5.315 1.00 0.00 H new ATOM 0 HB3 SER A 121 117.417 1.847 5.358 1.00 0.00 H new ATOM 0 HG SER A 121 116.764 2.176 7.400 1.00 0.00 H new ATOM 1969 N ALA A 122 119.368 -0.533 5.987 1.00 0.00 N ATOM 1970 CA ALA A 122 119.169 -1.915 6.418 1.00 0.00 C ATOM 1971 C ALA A 122 117.679 -2.243 6.455 1.00 0.00 C ATOM 1972 O ALA A 122 117.253 -3.177 7.133 1.00 0.00 O ATOM 1973 CB ALA A 122 119.781 -2.128 7.808 1.00 0.00 C ATOM 0 H ALA A 122 119.678 -0.430 5.021 1.00 0.00 H new ATOM 0 HA ALA A 122 119.663 -2.577 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 122 119.627 -3.161 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 122 120.849 -1.916 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 122 119.302 -1.459 8.523 1.00 0.00 H new ATOM 1979 N HIS A 123 116.905 -1.466 5.703 1.00 0.00 N ATOM 1980 CA HIS A 123 115.457 -1.657 5.621 1.00 0.00 C ATOM 1981 C HIS A 123 114.833 -1.819 7.011 1.00 0.00 C ATOM 1982 O HIS A 123 115.322 -2.582 7.841 1.00 0.00 O ATOM 1983 CB HIS A 123 115.142 -2.890 4.761 1.00 0.00 C ATOM 1984 CG HIS A 123 114.125 -3.751 5.462 1.00 0.00 C ATOM 1985 ND1 HIS A 123 112.762 -3.537 5.333 1.00 0.00 N ATOM 1986 CD2 HIS A 123 114.260 -4.810 6.322 1.00 0.00 C ATOM 1987 CE1 HIS A 123 112.136 -4.447 6.100 1.00 0.00 C ATOM 1988 NE2 HIS A 123 113.002 -5.250 6.724 1.00 0.00 N ATOM 0 H HIS A 123 117.257 -0.693 5.138 1.00 0.00 H new ATOM 0 HA HIS A 123 115.026 -0.768 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 123 114.761 -2.579 3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 123 116.053 -3.461 4.579 1.00 0.00 H new ATOM 0 HD2 HIS A 123 115.199 -5.238 6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 123 111.063 -4.520 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 123 112.788 -6.020 7.358 1.00 0.00 H new ATOM 1996 N ASP A 124 113.734 -1.101 7.237 1.00 0.00 N ATOM 1997 CA ASP A 124 113.016 -1.161 8.511 1.00 0.00 C ATOM 1998 C ASP A 124 113.962 -1.406 9.686 1.00 0.00 C ATOM 1999 O ASP A 124 113.557 -1.962 10.706 1.00 0.00 O ATOM 2000 CB ASP A 124 111.943 -2.260 8.458 1.00 0.00 C ATOM 2001 CG ASP A 124 112.500 -3.597 8.946 1.00 0.00 C ATOM 2002 OD1 ASP A 124 113.655 -3.872 8.672 1.00 0.00 O ATOM 2003 OD2 ASP A 124 111.760 -4.324 9.587 1.00 0.00 O ATOM 0 H ASP A 124 113.320 -0.469 6.552 1.00 0.00 H new ATOM 0 HA ASP A 124 112.539 -0.194 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 124 111.091 -1.971 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 124 111.577 -2.366 7.437 1.00 0.00 H new ATOM 2008 N ASP A 125 115.220 -0.991 9.532 1.00 0.00 N ATOM 2009 CA ASP A 125 116.225 -1.164 10.584 1.00 0.00 C ATOM 2010 C ASP A 125 115.569 -1.287 11.960 1.00 0.00 C ATOM 2011 O ASP A 125 115.314 -0.259 12.567 1.00 0.00 O ATOM 2012 CB ASP A 125 117.189 0.033 10.581 1.00 0.00 C ATOM 2013 CG ASP A 125 116.573 1.205 9.824 1.00 0.00 C ATOM 2014 OD1 ASP A 125 116.533 1.142 8.606 1.00 0.00 O ATOM 2015 OD2 ASP A 125 116.152 2.149 10.472 1.00 0.00 O ATOM 2016 OXT ASP A 125 115.333 -2.405 12.385 1.00 0.00 O ATOM 0 H ASP A 125 115.568 -0.533 8.690 1.00 0.00 H new ATOM 0 HA ASP A 125 116.774 -2.084 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 125 117.414 0.330 11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 125 118.133 -0.253 10.117 1.00 0.00 H new TER 2021 ASP A 125 HETATM 2022 P1 C2E A 501 105.662 3.381 13.277 1.00 0.00 P HETATM 2023 O2P C2E A 501 105.782 2.551 14.497 1.00 0.00 O HETATM 2024 O1P C2E A 501 104.331 3.861 12.835 1.00 0.00 O HETATM 2025 O5' C2E A 501 106.346 2.582 12.054 1.00 0.00 O HETATM 2026 C5' C2E A 501 105.591 2.304 10.874 1.00 0.00 C HETATM 2027 C4' C2E A 501 106.328 1.370 9.906 1.00 0.00 C HETATM 2028 O4' C2E A 501 105.357 0.586 9.196 1.00 0.00 O HETATM 2029 C3' C2E A 501 107.182 2.095 8.847 1.00 0.00 C HETATM 2030 O3' C2E A 501 108.590 2.045 9.156 1.00 0.00 O HETATM 2031 C2' C2E A 501 106.927 1.291 7.583 1.00 0.00 C HETATM 2032 O2' C2E A 501 107.841 0.194 7.467 1.00 0.00 O HETATM 2033 C1' C2E A 501 105.503 0.813 7.792 1.00 0.00 C HETATM 2034 N9 C2E A 501 104.482 1.800 7.384 1.00 0.00 N HETATM 2035 C8 C2E A 501 103.615 2.520 8.160 1.00 0.00 C HETATM 2036 N7 C2E A 501 102.851 3.346 7.513 1.00 0.00 N HETATM 2037 C5 C2E A 501 103.237 3.164 6.187 1.00 0.00 C HETATM 2038 C6 C2E A 501 102.759 3.794 5.008 1.00 0.00 C HETATM 2039 O6 C2E A 501 101.892 4.654 4.906 1.00 0.00 O HETATM 2040 N1 C2E A 501 103.412 3.324 3.878 1.00 0.00 N HETATM 2041 C2 C2E A 501 104.404 2.369 3.879 1.00 0.00 C HETATM 2042 N2 C2E A 501 104.906 2.038 2.691 1.00 0.00 N HETATM 2043 N3 C2E A 501 104.859 1.776 4.986 1.00 0.00 N HETATM 2044 C4 C2E A 501 104.234 2.220 6.099 1.00 0.00 C HETATM 2045 P11 C2E A 501 109.152 1.737 10.637 1.00 0.00 P HETATM 2046 O21 C2E A 501 108.481 0.522 11.152 1.00 0.00 O HETATM 2047 O11 C2E A 501 110.630 1.794 10.589 1.00 0.00 O HETATM 2048 O5A C2E A 501 108.631 2.999 11.480 1.00 0.00 O HETATM 2049 C5A C2E A 501 108.768 4.321 10.957 1.00 0.00 C HETATM 2050 C4A C2E A 501 108.414 5.371 12.001 1.00 0.00 C HETATM 2051 O4A C2E A 501 108.849 6.665 11.571 1.00 0.00 O HETATM 2052 C3A C2E A 501 106.929 5.483 12.315 1.00 0.00 C HETATM 2053 O3A C2E A 501 106.618 4.662 13.443 1.00 0.00 O HETATM 2054 C2A C2E A 501 106.776 6.941 12.689 1.00 0.00 C HETATM 2055 O2A C2E A 501 107.101 7.162 14.066 1.00 0.00 O HETATM 2056 C1A C2E A 501 107.787 7.611 11.769 1.00 0.00 C HETATM 2057 N91 C2E A 501 107.290 7.964 10.423 1.00 0.00 N HETATM 2058 C81 C2E A 501 107.621 7.402 9.221 1.00 0.00 C HETATM 2059 N71 C2E A 501 107.070 7.954 8.182 1.00 0.00 N HETATM 2060 C51 C2E A 501 106.299 8.973 8.733 1.00 0.00 C HETATM 2061 C61 C2E A 501 105.463 9.924 8.089 1.00 0.00 C HETATM 2062 O61 C2E A 501 105.232 10.048 6.889 1.00 0.00 O HETATM 2063 N11 C2E A 501 104.866 10.778 9.004 1.00 0.00 N HETATM 2064 C21 C2E A 501 105.046 10.726 10.372 1.00 0.00 C HETATM 2065 N21 C2E A 501 104.396 11.645 11.084 1.00 0.00 N HETATM 2066 N31 C2E A 501 105.831 9.830 10.984 1.00 0.00 N HETATM 2067 C41 C2E A 501 106.425 8.989 10.107 1.00 0.00 C HETATM 0 HO2A C2E A 501 107.052 6.314 14.554 1.00 0.00 H new HETATM 0 HO2' C2E A 501 107.651 -0.305 6.645 1.00 0.00 H new HETATM 0 HN24 C2E A 501 103.808 12.333 10.613 1.00 0.00 H new HETATM 0 HN23 C2E A 501 104.487 11.661 12.100 1.00 0.00 H new HETATM 0 HN22 C2E A 501 105.644 1.336 2.627 1.00 0.00 H new HETATM 0 HN21 C2E A 501 104.553 2.486 1.845 1.00 0.00 H new HETATM 0 HN11 C2E A 501 104.246 11.501 8.638 1.00 0.00 H new HETATM 0 H512 C2E A 501 109.792 4.475 10.617 1.00 0.00 H new HETATM 0 H511 C2E A 501 108.122 4.438 10.087 1.00 0.00 H new HETATM 0 H5'2 C2E A 501 104.639 1.852 11.154 1.00 0.00 H new HETATM 0 H5'1 C2E A 501 105.362 3.240 10.365 1.00 0.00 H new HETATM 0 HN1 C2E A 501 103.136 3.716 2.978 1.00 0.00 H new HETATM 0 H81 C2E A 501 108.298 6.552 9.140 1.00 0.00 H new HETATM 0 H8 C2E A 501 103.569 2.408 9.243 1.00 0.00 H new HETATM 0 H4A C2E A 501 108.923 5.037 12.905 1.00 0.00 H new HETATM 0 H4' C2E A 501 107.002 0.774 10.521 1.00 0.00 H new HETATM 0 H3A C2E A 501 106.281 5.171 11.496 1.00 0.00 H new HETATM 0 H3' C2E A 501 106.922 3.151 8.776 1.00 0.00 H new HETATM 0 H2A C2E A 501 105.760 7.319 12.576 1.00 0.00 H new HETATM 0 H2' C2E A 501 107.065 1.861 6.664 1.00 0.00 H new HETATM 0 H1A C2E A 501 108.071 8.546 12.252 1.00 0.00 H new HETATM 0 H1' C2E A 501 105.346 -0.075 7.180 1.00 0.00 H new HETATM 2090 P1 C2E A 502 102.205 13.203 3.126 1.00 0.00 P HETATM 2091 O2P C2E A 502 100.900 13.769 2.724 1.00 0.00 O HETATM 2092 O1P C2E A 502 102.942 12.316 2.198 1.00 0.00 O HETATM 2093 O5' C2E A 502 102.007 12.420 4.521 1.00 0.00 O HETATM 2094 C5' C2E A 502 100.817 11.665 4.773 1.00 0.00 C HETATM 2095 C4' C2E A 502 100.520 11.576 6.271 1.00 0.00 C HETATM 2096 O4' C2E A 502 100.215 10.221 6.636 1.00 0.00 O HETATM 2097 C3' C2E A 502 101.686 11.988 7.150 1.00 0.00 C HETATM 2098 O3' C2E A 502 101.683 13.403 7.348 1.00 0.00 O HETATM 2099 C2' C2E A 502 101.357 11.268 8.438 1.00 0.00 C HETATM 2100 O2' C2E A 502 100.366 11.970 9.194 1.00 0.00 O HETATM 2101 C1' C2E A 502 100.820 9.950 7.911 1.00 0.00 C HETATM 2102 N9 C2E A 502 101.867 8.927 7.733 1.00 0.00 N HETATM 2103 C8 C2E A 502 102.512 8.498 6.602 1.00 0.00 C HETATM 2104 N7 C2E A 502 103.400 7.569 6.799 1.00 0.00 N HETATM 2105 C5 C2E A 502 103.344 7.349 8.169 1.00 0.00 C HETATM 2106 C6 C2E A 502 104.082 6.439 8.973 1.00 0.00 C HETATM 2107 O6 C2E A 502 104.948 5.640 8.622 1.00 0.00 O HETATM 2108 N1 C2E A 502 103.718 6.532 10.308 1.00 0.00 N HETATM 2109 C2 C2E A 502 102.769 7.391 10.813 1.00 0.00 C HETATM 2110 N2 C2E A 502 102.560 7.323 12.128 1.00 0.00 N HETATM 2111 N3 C2E A 502 102.073 8.250 10.061 1.00 0.00 N HETATM 2112 C4 C2E A 502 102.412 8.174 8.751 1.00 0.00 C HETATM 2113 P11 C2E A 502 103.029 14.181 7.751 1.00 0.00 P HETATM 2114 O21 C2E A 502 102.756 14.981 8.965 1.00 0.00 O HETATM 2115 O11 C2E A 502 104.148 13.213 7.740 1.00 0.00 O HETATM 2116 O5A C2E A 502 103.215 15.191 6.512 1.00 0.00 O HETATM 2117 C5A C2E A 502 104.483 15.784 6.236 1.00 0.00 C HETATM 2118 C4A C2E A 502 104.949 15.477 4.814 1.00 0.00 C HETATM 2119 O4A C2E A 502 106.374 15.368 4.789 1.00 0.00 O HETATM 2120 C3A C2E A 502 104.406 14.174 4.234 1.00 0.00 C HETATM 2121 O3A C2E A 502 103.179 14.422 3.537 1.00 0.00 O HETATM 2122 C2A C2E A 502 105.491 13.772 3.251 1.00 0.00 C HETATM 2123 O2A C2E A 502 105.298 14.391 1.974 1.00 0.00 O HETATM 2124 C1A C2E A 502 106.754 14.281 3.936 1.00 0.00 C HETATM 2125 N91 C2E A 502 107.426 13.284 4.784 1.00 0.00 N HETATM 2126 C81 C2E A 502 107.397 13.145 6.141 1.00 0.00 C HETATM 2127 N71 C2E A 502 108.169 12.220 6.618 1.00 0.00 N HETATM 2128 C51 C2E A 502 108.768 11.690 5.477 1.00 0.00 C HETATM 2129 C61 C2E A 502 109.721 10.646 5.358 1.00 0.00 C HETATM 2130 O61 C2E A 502 110.272 10.018 6.255 1.00 0.00 O HETATM 2131 N11 C2E A 502 110.062 10.415 4.035 1.00 0.00 N HETATM 2132 C21 C2E A 502 109.558 11.108 2.955 1.00 0.00 C HETATM 2133 N21 C2E A 502 110.017 10.751 1.756 1.00 0.00 N HETATM 2134 N31 C2E A 502 108.664 12.096 3.064 1.00 0.00 N HETATM 2135 C41 C2E A 502 108.316 12.331 4.350 1.00 0.00 C HETATM 0 HO2A C2E A 502 104.375 14.712 1.902 1.00 0.00 H new HETATM 0 HO2' C2E A 502 100.770 12.323 10.014 1.00 0.00 H new HETATM 0 HN24 C2E A 502 110.704 10.001 1.675 1.00 0.00 H new HETATM 0 HN23 C2E A 502 109.681 11.227 0.919 1.00 0.00 H new HETATM 0 HN22 C2E A 502 101.870 7.932 12.567 1.00 0.00 H new HETATM 0 HN21 C2E A 502 103.090 6.662 12.695 1.00 0.00 H new HETATM 0 HN11 C2E A 502 110.738 9.675 3.846 1.00 0.00 H new HETATM 0 H512 C2E A 502 104.418 16.863 6.373 1.00 0.00 H new HETATM 0 H511 C2E A 502 105.221 15.416 6.949 1.00 0.00 H new HETATM 0 H5'2 C2E A 502 99.974 12.129 4.260 1.00 0.00 H new HETATM 0 H5'1 C2E A 502 100.927 10.661 4.362 1.00 0.00 H new HETATM 0 HN1 C2E A 502 104.191 5.915 10.968 1.00 0.00 H new HETATM 0 H81 C2E A 502 106.769 13.768 6.778 1.00 0.00 H new HETATM 0 H8 C2E A 502 102.297 8.904 5.614 1.00 0.00 H new HETATM 0 H4A C2E A 502 104.569 16.302 4.211 1.00 0.00 H new HETATM 0 H4' C2E A 502 99.686 12.259 6.433 1.00 0.00 H new HETATM 0 H3A C2E A 502 104.193 13.414 4.986 1.00 0.00 H new HETATM 0 H3' C2E A 502 102.667 11.747 6.742 1.00 0.00 H new HETATM 0 H2A C2E A 502 105.513 12.703 3.038 1.00 0.00 H new HETATM 0 H2' C2E A 502 102.201 11.168 9.121 1.00 0.00 H new HETATM 0 H1A C2E A 502 107.451 14.558 3.145 1.00 0.00 H new HETATM 0 H1' C2E A 502 100.113 9.550 8.638 1.00 0.00 H new