USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc=-0.000922 K(o=-0.14,f=-0.67) USER MOD Set 1.2: A 96 MET CE :methyl 161:sc= -0.136 (180deg=-1.07) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -150:sc= 0.0924 (180deg=0) USER MOD Set 2.2: A 85 ASN :FLIP amide:sc= -1.75 F(o=-7.5!,f=-1.7) USER MOD Set 3.1: A 55 GLN : amide:sc= 0.00013 X(o=0.00052,f=-0.4) USER MOD Set 3.2: A 66 THR OG1 : rot 180:sc=0.000395 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.27! C(o=-2.3!,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0771 K(o=-0.077,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 39 THR OG1 : rot 178:sc= -3.56! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.54! C(o=-1.5!,f=-1.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 53 THR OG1 : rot -160:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.216) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 24:sc= 0.00219 USER MOD Single : A 62 MET CE :methyl 146:sc= -0.123 (180deg=-2.11!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.77! C(o=-4.1!,f=-2.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0.118 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 112:sc= 1.29 USER MOD Single : A 95 ASN : amide:sc= -4.24! C(o=-4.2!,f=-14!) USER MOD Single : A 97 CYS SG : rot 111:sc= -0.979 USER MOD Single : A 100 SER OG : rot 122:sc= 1.04 USER MOD Single : A 104 THR OG1 : rot 161:sc= 0.0317 USER MOD Single : A 105 MET CE :methyl -156:sc= -1.14 (180deg=-2.52) USER MOD Single : A 106 THR OG1 : rot 126:sc= 1.13 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -150:sc= -0.379 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.090 -29.748 4.605 1.00 0.00 N ATOM 2 CA GLY A 1 8.371 -28.781 5.417 1.00 0.00 C ATOM 3 C GLY A 1 7.024 -28.426 4.783 1.00 0.00 C ATOM 4 O GLY A 1 6.914 -27.430 4.070 1.00 0.00 O ATOM 0 H1 GLY A 1 10.000 -29.972 5.056 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.524 -30.616 4.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.261 -29.349 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.211 -29.187 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.972 -27.879 5.532 1.00 0.00 H new ATOM 8 N SER A 2 6.034 -29.260 5.067 1.00 0.00 N ATOM 9 CA SER A 2 4.700 -29.046 4.534 1.00 0.00 C ATOM 10 C SER A 2 3.688 -29.905 5.295 1.00 0.00 C ATOM 11 O SER A 2 4.071 -30.795 6.054 1.00 0.00 O ATOM 12 CB SER A 2 4.647 -29.365 3.038 1.00 0.00 C ATOM 13 OG SER A 2 4.578 -30.767 2.792 1.00 0.00 O ATOM 0 H SER A 2 6.130 -30.085 5.659 1.00 0.00 H new ATOM 0 HA SER A 2 4.445 -27.994 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.780 -28.876 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.530 -28.954 2.548 1.00 0.00 H new ATOM 0 HG SER A 2 4.544 -30.928 1.826 1.00 0.00 H new ATOM 18 N SER A 3 2.418 -29.609 5.067 1.00 0.00 N ATOM 19 CA SER A 3 1.349 -30.342 5.721 1.00 0.00 C ATOM 20 C SER A 3 -0.005 -29.924 5.142 1.00 0.00 C ATOM 21 O SER A 3 -0.119 -28.869 4.521 1.00 0.00 O ATOM 22 CB SER A 3 1.371 -30.115 7.235 1.00 0.00 C ATOM 23 OG SER A 3 0.914 -28.811 7.585 1.00 0.00 O ATOM 0 H SER A 3 2.105 -28.870 4.437 1.00 0.00 H new ATOM 0 HA SER A 3 1.503 -31.405 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.745 -30.862 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.385 -30.256 7.608 1.00 0.00 H new ATOM 0 HG SER A 3 0.941 -28.705 8.559 1.00 0.00 H new ATOM 28 N GLY A 4 -0.997 -30.774 5.367 1.00 0.00 N ATOM 29 CA GLY A 4 -2.337 -30.507 4.874 1.00 0.00 C ATOM 30 C GLY A 4 -3.150 -31.799 4.767 1.00 0.00 C ATOM 31 O GLY A 4 -2.853 -32.781 5.445 1.00 0.00 O ATOM 0 H GLY A 4 -0.899 -31.648 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.842 -29.810 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.280 -30.027 3.897 1.00 0.00 H new ATOM 35 N SER A 5 -4.160 -31.754 3.911 1.00 0.00 N ATOM 36 CA SER A 5 -5.019 -32.909 3.706 1.00 0.00 C ATOM 37 C SER A 5 -5.568 -32.907 2.279 1.00 0.00 C ATOM 38 O SER A 5 -5.604 -31.864 1.626 1.00 0.00 O ATOM 39 CB SER A 5 -6.166 -32.929 4.718 1.00 0.00 C ATOM 40 OG SER A 5 -7.211 -32.030 4.355 1.00 0.00 O ATOM 0 H SER A 5 -4.403 -30.937 3.351 1.00 0.00 H new ATOM 0 HA SER A 5 -4.423 -33.809 3.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.567 -33.940 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.785 -32.663 5.704 1.00 0.00 H new ATOM 0 HG SER A 5 -7.926 -32.072 5.024 1.00 0.00 H new ATOM 45 N SER A 6 -5.983 -34.084 1.836 1.00 0.00 N ATOM 46 CA SER A 6 -6.530 -34.231 0.498 1.00 0.00 C ATOM 47 C SER A 6 -7.850 -35.001 0.553 1.00 0.00 C ATOM 48 O SER A 6 -8.207 -35.556 1.592 1.00 0.00 O ATOM 49 CB SER A 6 -5.540 -34.941 -0.427 1.00 0.00 C ATOM 50 OG SER A 6 -5.833 -34.710 -1.802 1.00 0.00 O ATOM 0 H SER A 6 -5.951 -34.946 2.380 1.00 0.00 H new ATOM 0 HA SER A 6 -6.714 -33.236 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.529 -34.596 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.561 -36.012 -0.227 1.00 0.00 H new ATOM 0 HG SER A 6 -5.177 -35.179 -2.359 1.00 0.00 H new ATOM 55 N GLY A 7 -8.540 -35.012 -0.577 1.00 0.00 N ATOM 56 CA GLY A 7 -9.814 -35.706 -0.671 1.00 0.00 C ATOM 57 C GLY A 7 -10.977 -34.713 -0.715 1.00 0.00 C ATOM 58 O GLY A 7 -11.600 -34.528 -1.759 1.00 0.00 O ATOM 0 H GLY A 7 -8.241 -34.551 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.828 -36.328 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.933 -36.373 0.183 1.00 0.00 H new ATOM 62 N ALA A 8 -11.234 -34.100 0.431 1.00 0.00 N ATOM 63 CA ALA A 8 -12.311 -33.130 0.537 1.00 0.00 C ATOM 64 C ALA A 8 -13.607 -33.755 0.017 1.00 0.00 C ATOM 65 O ALA A 8 -13.974 -33.560 -1.140 1.00 0.00 O ATOM 66 CB ALA A 8 -11.930 -31.859 -0.225 1.00 0.00 C ATOM 0 H ALA A 8 -10.715 -34.256 1.295 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.474 -32.850 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.738 -31.131 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.019 -31.438 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.761 -32.101 -1.274 1.00 0.00 H new ATOM 72 N SER A 9 -14.263 -34.496 0.898 1.00 0.00 N ATOM 73 CA SER A 9 -15.510 -35.152 0.542 1.00 0.00 C ATOM 74 C SER A 9 -16.396 -34.195 -0.257 1.00 0.00 C ATOM 75 O SER A 9 -16.470 -33.007 0.054 1.00 0.00 O ATOM 76 CB SER A 9 -16.250 -35.642 1.789 1.00 0.00 C ATOM 77 OG SER A 9 -15.605 -36.764 2.385 1.00 0.00 O ATOM 0 H SER A 9 -13.955 -34.657 1.857 1.00 0.00 H new ATOM 0 HA SER A 9 -15.275 -36.020 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.313 -34.832 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.272 -35.911 1.522 1.00 0.00 H new ATOM 0 HG SER A 9 -16.106 -37.046 3.179 1.00 0.00 H new ATOM 82 N ILE A 10 -17.044 -34.747 -1.272 1.00 0.00 N ATOM 83 CA ILE A 10 -17.922 -33.956 -2.119 1.00 0.00 C ATOM 84 C ILE A 10 -19.192 -33.605 -1.342 1.00 0.00 C ATOM 85 O ILE A 10 -19.826 -34.479 -0.754 1.00 0.00 O ATOM 86 CB ILE A 10 -18.189 -34.682 -3.439 1.00 0.00 C ATOM 87 CG1 ILE A 10 -18.855 -33.748 -4.452 1.00 0.00 C ATOM 88 CG2 ILE A 10 -19.004 -35.955 -3.210 1.00 0.00 C ATOM 89 CD1 ILE A 10 -18.036 -33.664 -5.741 1.00 0.00 C ATOM 0 H ILE A 10 -16.979 -35.732 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.444 -33.015 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.232 -34.986 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.859 -34.107 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.962 -32.753 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.179 -36.451 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.455 -36.625 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -19.960 -35.698 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.531 -32.994 -6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.041 -33.282 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.952 -34.656 -6.184 1.00 0.00 H new ATOM 100 N ASP A 11 -19.527 -32.323 -1.365 1.00 0.00 N ATOM 101 CA ASP A 11 -20.710 -31.845 -0.671 1.00 0.00 C ATOM 102 C ASP A 11 -21.212 -30.567 -1.346 1.00 0.00 C ATOM 103 O ASP A 11 -20.456 -29.890 -2.041 1.00 0.00 O ATOM 104 CB ASP A 11 -20.396 -31.517 0.790 1.00 0.00 C ATOM 105 CG ASP A 11 -20.783 -32.602 1.795 1.00 0.00 C ATOM 106 OD1 ASP A 11 -21.220 -33.678 1.330 1.00 0.00 O ATOM 107 OD2 ASP A 11 -20.634 -32.334 3.007 1.00 0.00 O ATOM 0 H ASP A 11 -18.999 -31.600 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.464 -32.631 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -19.327 -31.323 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -20.911 -30.595 1.058 1.00 0.00 H new ATOM 111 N ILE A 12 -22.483 -30.275 -1.117 1.00 0.00 N ATOM 112 CA ILE A 12 -23.095 -29.090 -1.694 1.00 0.00 C ATOM 113 C ILE A 12 -22.635 -27.855 -0.918 1.00 0.00 C ATOM 114 O ILE A 12 -23.333 -27.388 -0.019 1.00 0.00 O ATOM 115 CB ILE A 12 -24.615 -29.248 -1.757 1.00 0.00 C ATOM 116 CG1 ILE A 12 -25.010 -30.395 -2.689 1.00 0.00 C ATOM 117 CG2 ILE A 12 -25.287 -27.931 -2.151 1.00 0.00 C ATOM 118 CD1 ILE A 12 -26.511 -30.679 -2.603 1.00 0.00 C ATOM 0 H ILE A 12 -23.107 -30.839 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.770 -28.957 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 12 -24.973 -29.507 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -24.742 -30.143 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -24.451 -31.292 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -26.367 -28.071 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -25.046 -27.165 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -24.927 -27.618 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -26.765 -31.498 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -26.771 -30.954 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -27.067 -29.787 -2.892 1.00 0.00 H new ATOM 129 N GLN A 13 -21.465 -27.360 -1.293 1.00 0.00 N ATOM 130 CA GLN A 13 -20.904 -26.189 -0.642 1.00 0.00 C ATOM 131 C GLN A 13 -21.340 -24.917 -1.373 1.00 0.00 C ATOM 132 O GLN A 13 -21.498 -24.921 -2.594 1.00 0.00 O ATOM 133 CB GLN A 13 -19.379 -26.280 -0.565 1.00 0.00 C ATOM 134 CG GLN A 13 -18.726 -25.579 -1.758 1.00 0.00 C ATOM 135 CD GLN A 13 -17.209 -25.773 -1.744 1.00 0.00 C ATOM 136 OE1 GLN A 13 -16.444 -24.867 -1.457 1.00 0.00 O ATOM 137 NE2 GLN A 13 -16.816 -27.001 -2.070 1.00 0.00 N ATOM 0 H GLN A 13 -20.890 -27.749 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.284 -26.149 0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.031 -25.826 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.074 -27.326 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.138 -25.974 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.960 -24.515 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.508 -27.714 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.822 -27.230 -2.090 1.00 0.00 H new ATOM 144 N ILE A 14 -21.522 -23.859 -0.597 1.00 0.00 N ATOM 145 CA ILE A 14 -21.936 -22.583 -1.155 1.00 0.00 C ATOM 146 C ILE A 14 -20.992 -21.485 -0.662 1.00 0.00 C ATOM 147 O ILE A 14 -19.818 -21.741 -0.403 1.00 0.00 O ATOM 148 CB ILE A 14 -23.409 -22.314 -0.841 1.00 0.00 C ATOM 149 CG1 ILE A 14 -24.183 -23.624 -0.675 1.00 0.00 C ATOM 150 CG2 ILE A 14 -24.039 -21.407 -1.900 1.00 0.00 C ATOM 151 CD1 ILE A 14 -25.670 -23.356 -0.436 1.00 0.00 C ATOM 0 H ILE A 14 -21.390 -23.859 0.414 1.00 0.00 H new ATOM 0 HA ILE A 14 -21.864 -22.601 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 14 -23.464 -21.785 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.059 -24.239 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.773 -24.189 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -25.086 -21.232 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.508 -20.455 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -23.972 -21.887 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -26.197 -24.303 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -25.792 -22.761 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -26.083 -22.812 -1.285 1.00 0.00 H new ATOM 162 N ILE A 15 -21.541 -20.284 -0.548 1.00 0.00 N ATOM 163 CA ILE A 15 -20.762 -19.146 -0.090 1.00 0.00 C ATOM 164 C ILE A 15 -19.342 -19.247 -0.651 1.00 0.00 C ATOM 165 O ILE A 15 -18.403 -19.558 0.082 1.00 0.00 O ATOM 166 CB ILE A 15 -20.816 -19.038 1.435 1.00 0.00 C ATOM 167 CG1 ILE A 15 -22.262 -19.043 1.934 1.00 0.00 C ATOM 168 CG2 ILE A 15 -20.044 -17.811 1.925 1.00 0.00 C ATOM 169 CD1 ILE A 15 -22.945 -17.704 1.649 1.00 0.00 C ATOM 0 H ILE A 15 -22.515 -20.075 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 15 -21.188 -18.216 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 15 -20.327 -19.916 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -22.815 -19.848 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -22.280 -19.244 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -20.098 -17.757 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -19.001 -17.890 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.482 -16.910 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -23.972 -17.734 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.404 -16.905 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -22.947 -17.518 0.575 1.00 0.00 H new ATOM 180 N ASP A 16 -19.229 -18.980 -1.942 1.00 0.00 N ATOM 181 CA ASP A 16 -17.938 -19.037 -2.608 1.00 0.00 C ATOM 182 C ASP A 16 -17.527 -17.627 -3.036 1.00 0.00 C ATOM 183 O ASP A 16 -18.272 -16.670 -2.831 1.00 0.00 O ATOM 184 CB ASP A 16 -18.005 -19.910 -3.863 1.00 0.00 C ATOM 185 CG ASP A 16 -18.953 -19.407 -4.953 1.00 0.00 C ATOM 186 OD1 ASP A 16 -19.676 -18.428 -4.668 1.00 0.00 O ATOM 187 OD2 ASP A 16 -18.933 -20.012 -6.046 1.00 0.00 O ATOM 0 H ASP A 16 -20.010 -18.723 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.217 -19.462 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.003 -19.992 -4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.311 -20.915 -3.572 1.00 0.00 H new ATOM 191 N ARG A 17 -16.342 -17.542 -3.622 1.00 0.00 N ATOM 192 CA ARG A 17 -15.823 -16.265 -4.080 1.00 0.00 C ATOM 193 C ARG A 17 -15.743 -15.276 -2.915 1.00 0.00 C ATOM 194 O ARG A 17 -16.753 -14.698 -2.516 1.00 0.00 O ATOM 195 CB ARG A 17 -16.705 -15.675 -5.182 1.00 0.00 C ATOM 196 CG ARG A 17 -16.252 -16.156 -6.563 1.00 0.00 C ATOM 197 CD ARG A 17 -16.044 -14.975 -7.513 1.00 0.00 C ATOM 198 NE ARG A 17 -15.743 -15.469 -8.875 1.00 0.00 N ATOM 199 CZ ARG A 17 -16.663 -15.966 -9.714 1.00 0.00 C ATOM 200 NH1 ARG A 17 -17.946 -16.038 -9.335 1.00 0.00 N ATOM 201 NH2 ARG A 17 -16.299 -16.391 -10.932 1.00 0.00 N ATOM 0 H ARG A 17 -15.726 -18.337 -3.790 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.825 -16.438 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.743 -15.963 -5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.665 -14.586 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.324 -16.720 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.997 -16.835 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.938 -14.351 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.226 -14.349 -7.155 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.775 -15.429 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.223 -15.715 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.646 -16.416 -9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.322 -16.336 -11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.999 -16.769 -11.570 1.00 0.00 H new ATOM 212 N PRO A 18 -14.500 -15.107 -2.388 1.00 0.00 N ATOM 213 CA PRO A 18 -14.276 -14.199 -1.277 1.00 0.00 C ATOM 214 C PRO A 18 -14.313 -12.742 -1.744 1.00 0.00 C ATOM 215 O PRO A 18 -14.451 -11.829 -0.932 1.00 0.00 O ATOM 216 CB PRO A 18 -12.928 -14.603 -0.704 1.00 0.00 C ATOM 217 CG PRO A 18 -12.238 -15.410 -1.792 1.00 0.00 C ATOM 218 CD PRO A 18 -13.281 -15.775 -2.835 1.00 0.00 C ATOM 0 HA PRO A 18 -15.054 -14.266 -0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.339 -13.726 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.051 -15.195 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.433 -14.831 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.787 -16.309 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.984 -15.436 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -13.420 -16.854 -2.895 1.00 0.00 H new ATOM 223 N GLY A 19 -14.189 -12.570 -3.053 1.00 0.00 N ATOM 224 CA GLY A 19 -14.207 -11.240 -3.637 1.00 0.00 C ATOM 225 C GLY A 19 -12.825 -10.588 -3.560 1.00 0.00 C ATOM 226 O GLY A 19 -11.818 -11.276 -3.401 1.00 0.00 O ATOM 0 H GLY A 19 -14.076 -13.329 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.527 -11.300 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.935 -10.620 -3.115 1.00 0.00 H new ATOM 230 N PRO A 20 -12.821 -9.233 -3.680 1.00 0.00 N ATOM 231 CA PRO A 20 -11.579 -8.482 -3.625 1.00 0.00 C ATOM 232 C PRO A 20 -11.056 -8.390 -2.191 1.00 0.00 C ATOM 233 O PRO A 20 -11.730 -8.811 -1.252 1.00 0.00 O ATOM 234 CB PRO A 20 -11.915 -7.124 -4.222 1.00 0.00 C ATOM 235 CG PRO A 20 -13.429 -7.005 -4.160 1.00 0.00 C ATOM 236 CD PRO A 20 -13.994 -8.385 -3.869 1.00 0.00 C ATOM 0 HA PRO A 20 -10.773 -8.960 -4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.437 -6.321 -3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.559 -7.050 -5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.725 -6.300 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.821 -6.623 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.623 -8.376 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.612 -8.742 -4.693 1.00 0.00 H new ATOM 241 N PRO A 21 -9.826 -7.824 -2.062 1.00 0.00 N ATOM 242 CA PRO A 21 -9.204 -7.672 -0.758 1.00 0.00 C ATOM 243 C PRO A 21 -9.851 -6.530 0.028 1.00 0.00 C ATOM 244 O PRO A 21 -10.420 -5.612 -0.558 1.00 0.00 O ATOM 245 CB PRO A 21 -7.732 -7.434 -1.049 1.00 0.00 C ATOM 246 CG PRO A 21 -7.660 -6.998 -2.504 1.00 0.00 C ATOM 247 CD PRO A 21 -8.998 -7.314 -3.151 1.00 0.00 C ATOM 0 HA PRO A 21 -9.334 -8.550 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.323 -6.668 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.150 -8.340 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.445 -5.932 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.854 -7.520 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.440 -6.425 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.889 -8.053 -3.945 1.00 0.00 H new ATOM 252 N GLN A 22 -9.740 -6.624 1.345 1.00 0.00 N ATOM 253 CA GLN A 22 -10.307 -5.610 2.219 1.00 0.00 C ATOM 254 C GLN A 22 -9.851 -4.218 1.780 1.00 0.00 C ATOM 255 O GLN A 22 -10.676 -3.366 1.451 1.00 0.00 O ATOM 256 CB GLN A 22 -9.935 -5.875 3.678 1.00 0.00 C ATOM 257 CG GLN A 22 -11.003 -6.724 4.371 1.00 0.00 C ATOM 258 CD GLN A 22 -10.794 -6.737 5.888 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.503 -6.092 6.643 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.786 -7.506 6.288 1.00 0.00 N ATOM 0 H GLN A 22 -9.266 -7.387 1.828 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.393 -5.656 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.973 -6.385 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.820 -4.928 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.993 -6.330 4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.968 -7.743 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.233 -8.019 5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.566 -7.583 7.281 1.00 0.00 H new ATOM 267 N ILE A 23 -8.540 -4.029 1.790 1.00 0.00 N ATOM 268 CA ILE A 23 -7.965 -2.753 1.397 1.00 0.00 C ATOM 269 C ILE A 23 -6.628 -2.996 0.692 1.00 0.00 C ATOM 270 O ILE A 23 -6.035 -4.065 0.832 1.00 0.00 O ATOM 271 CB ILE A 23 -7.862 -1.817 2.602 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.925 -0.352 2.166 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.607 -2.118 3.425 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.521 0.219 1.963 1.00 0.00 C ATOM 0 H ILE A 23 -7.859 -4.738 2.064 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.615 -2.247 0.684 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.721 -1.997 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.493 -0.268 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.454 0.233 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.558 -1.438 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.645 -3.146 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.723 -1.984 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.593 1.262 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.964 0.156 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.003 -0.353 1.193 1.00 0.00 H new ATOM 285 N VAL A 24 -6.195 -1.989 -0.050 1.00 0.00 N ATOM 286 CA VAL A 24 -4.940 -2.080 -0.777 1.00 0.00 C ATOM 287 C VAL A 24 -4.169 -0.768 -0.622 1.00 0.00 C ATOM 288 O VAL A 24 -4.614 0.277 -1.094 1.00 0.00 O ATOM 289 CB VAL A 24 -5.207 -2.447 -2.238 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.913 -2.423 -3.054 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.897 -3.809 -2.344 1.00 0.00 C ATOM 0 H VAL A 24 -6.691 -1.105 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.317 -2.874 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.880 -1.697 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.130 -2.687 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.479 -1.424 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.206 -3.141 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.075 -4.046 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.260 -4.575 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.848 -3.777 -1.812 1.00 0.00 H new ATOM 301 N LYS A 25 -3.027 -0.864 0.042 1.00 0.00 N ATOM 302 CA LYS A 25 -2.190 0.302 0.265 1.00 0.00 C ATOM 303 C LYS A 25 -0.786 0.030 -0.281 1.00 0.00 C ATOM 304 O LYS A 25 -0.496 -1.076 -0.734 1.00 0.00 O ATOM 305 CB LYS A 25 -2.208 0.700 1.742 1.00 0.00 C ATOM 306 CG LYS A 25 -3.389 1.623 2.047 1.00 0.00 C ATOM 307 CD LYS A 25 -3.015 2.664 3.103 1.00 0.00 C ATOM 308 CE LYS A 25 -3.653 2.330 4.453 1.00 0.00 C ATOM 309 NZ LYS A 25 -4.684 3.334 4.801 1.00 0.00 N ATOM 0 H LYS A 25 -2.661 -1.732 0.433 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.583 1.161 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.271 -0.194 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.275 1.201 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.708 2.125 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.235 1.032 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.931 2.706 3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.342 3.651 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.102 1.337 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.887 2.303 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.107 3.093 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.246 4.276 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.424 3.340 4.070 1.00 0.00 H new ATOM 319 N ILE A 26 0.048 1.058 -0.220 1.00 0.00 N ATOM 320 CA ILE A 26 1.413 0.944 -0.703 1.00 0.00 C ATOM 321 C ILE A 26 2.381 1.200 0.454 1.00 0.00 C ATOM 322 O ILE A 26 2.616 2.349 0.827 1.00 0.00 O ATOM 323 CB ILE A 26 1.635 1.862 -1.906 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.694 1.496 -3.056 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.101 1.852 -2.341 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.185 2.686 -3.446 1.00 0.00 C ATOM 0 H ILE A 26 -0.196 1.974 0.157 1.00 0.00 H new ATOM 0 HA ILE A 26 1.606 -0.066 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 26 1.396 2.882 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.277 1.172 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.065 0.656 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.231 2.513 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.727 2.197 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.392 0.838 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.844 2.399 -4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.784 2.992 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.446 3.516 -3.762 1.00 0.00 H new ATOM 337 N GLU A 27 2.917 0.113 0.988 1.00 0.00 N ATOM 338 CA GLU A 27 3.855 0.207 2.094 1.00 0.00 C ATOM 339 C GLU A 27 4.779 1.412 1.906 1.00 0.00 C ATOM 340 O GLU A 27 5.018 2.167 2.847 1.00 0.00 O ATOM 341 CB GLU A 27 4.661 -1.085 2.239 1.00 0.00 C ATOM 342 CG GLU A 27 4.485 -1.689 3.634 1.00 0.00 C ATOM 343 CD GLU A 27 5.629 -1.273 4.560 1.00 0.00 C ATOM 344 OE1 GLU A 27 5.974 -0.072 4.533 1.00 0.00 O ATOM 345 OE2 GLU A 27 6.133 -2.167 5.276 1.00 0.00 O ATOM 0 H GLU A 27 2.720 -0.838 0.676 1.00 0.00 H new ATOM 0 HA GLU A 27 3.289 0.349 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.341 -1.804 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.716 -0.881 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.534 -1.365 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.448 -2.776 3.562 1.00 0.00 H new ATOM 350 N ASP A 28 5.272 1.554 0.685 1.00 0.00 N ATOM 351 CA ASP A 28 6.165 2.655 0.363 1.00 0.00 C ATOM 352 C ASP A 28 6.674 2.489 -1.070 1.00 0.00 C ATOM 353 O ASP A 28 6.342 1.514 -1.742 1.00 0.00 O ATOM 354 CB ASP A 28 7.376 2.673 1.297 1.00 0.00 C ATOM 355 CG ASP A 28 7.476 3.903 2.203 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.648 3.988 3.135 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.377 4.728 1.942 1.00 0.00 O ATOM 0 H ASP A 28 5.071 0.926 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 28 5.609 3.586 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.347 1.781 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.282 2.610 0.694 1.00 0.00 H new ATOM 361 N VAL A 29 7.473 3.457 -1.496 1.00 0.00 N ATOM 362 CA VAL A 29 8.032 3.430 -2.837 1.00 0.00 C ATOM 363 C VAL A 29 9.420 4.074 -2.819 1.00 0.00 C ATOM 364 O VAL A 29 9.567 5.228 -2.418 1.00 0.00 O ATOM 365 CB VAL A 29 7.072 4.107 -3.817 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.604 5.461 -3.280 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.713 4.256 -5.198 1.00 0.00 C ATOM 0 H VAL A 29 7.746 4.265 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 29 8.155 2.402 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 29 6.195 3.468 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.923 5.921 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.089 5.317 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.466 6.111 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.009 4.740 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.615 4.863 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.972 3.271 -5.587 1.00 0.00 H new ATOM 377 N TRP A 30 10.401 3.301 -3.258 1.00 0.00 N ATOM 378 CA TRP A 30 11.772 3.782 -3.297 1.00 0.00 C ATOM 379 C TRP A 30 12.344 3.466 -4.681 1.00 0.00 C ATOM 380 O TRP A 30 11.965 2.474 -5.302 1.00 0.00 O ATOM 381 CB TRP A 30 12.598 3.180 -2.157 1.00 0.00 C ATOM 382 CG TRP A 30 12.634 1.650 -2.156 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.594 0.848 -2.637 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.623 0.767 -1.626 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.276 -0.483 -2.456 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.041 -0.534 -1.821 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.398 1.057 -1.001 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.292 -1.647 -1.422 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.661 -0.066 -0.608 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.067 -1.382 -0.798 1.00 0.00 C ATOM 0 H TRP A 30 10.275 2.345 -3.590 1.00 0.00 H new ATOM 0 HA TRP A 30 11.807 4.861 -3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.618 3.557 -2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.191 3.524 -1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.501 1.199 -3.107 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.844 -1.283 -2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.053 2.067 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.640 -2.656 -1.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.711 0.101 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.440 -2.196 -0.466 1.00 0.00 H new ATOM 400 N GLY A 31 13.248 4.327 -5.123 1.00 0.00 N ATOM 401 CA GLY A 31 13.877 4.152 -6.421 1.00 0.00 C ATOM 402 C GLY A 31 12.872 3.631 -7.451 1.00 0.00 C ATOM 403 O GLY A 31 11.864 4.281 -7.724 1.00 0.00 O ATOM 0 H GLY A 31 13.560 5.148 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.291 5.102 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.710 3.454 -6.335 1.00 0.00 H new ATOM 407 N GLU A 32 13.182 2.463 -7.994 1.00 0.00 N ATOM 408 CA GLU A 32 12.319 1.847 -8.987 1.00 0.00 C ATOM 409 C GLU A 32 11.624 0.618 -8.397 1.00 0.00 C ATOM 410 O GLU A 32 11.241 -0.295 -9.129 1.00 0.00 O ATOM 411 CB GLU A 32 13.107 1.480 -10.246 1.00 0.00 C ATOM 412 CG GLU A 32 13.698 2.726 -10.906 1.00 0.00 C ATOM 413 CD GLU A 32 14.202 2.414 -12.316 1.00 0.00 C ATOM 414 OE1 GLU A 32 14.899 1.386 -12.456 1.00 0.00 O ATOM 415 OE2 GLU A 32 13.876 3.211 -13.224 1.00 0.00 O ATOM 0 H GLU A 32 14.019 1.927 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 32 11.555 2.569 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.907 0.786 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.454 0.966 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.943 3.510 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.519 3.109 -10.299 1.00 0.00 H new ATOM 420 N ASN A 33 11.482 0.633 -7.080 1.00 0.00 N ATOM 421 CA ASN A 33 10.840 -0.469 -6.384 1.00 0.00 C ATOM 422 C ASN A 33 9.711 0.077 -5.507 1.00 0.00 C ATOM 423 O ASN A 33 9.937 0.949 -4.669 1.00 0.00 O ATOM 424 CB ASN A 33 11.832 -1.200 -5.477 1.00 0.00 C ATOM 425 CG ASN A 33 13.113 -1.550 -6.236 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.231 -2.592 -6.861 1.00 0.00 O ATOM 427 ND2 ASN A 33 14.064 -0.625 -6.148 1.00 0.00 N ATOM 0 H ASN A 33 11.801 1.391 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 33 10.456 -1.163 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.074 -0.575 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.374 -2.110 -5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.957 -0.765 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.900 0.225 -5.608 1.00 0.00 H new ATOM 433 N VAL A 34 8.520 -0.460 -5.728 1.00 0.00 N ATOM 434 CA VAL A 34 7.356 -0.038 -4.968 1.00 0.00 C ATOM 435 C VAL A 34 6.973 -1.138 -3.977 1.00 0.00 C ATOM 436 O VAL A 34 7.344 -2.297 -4.157 1.00 0.00 O ATOM 437 CB VAL A 34 6.216 0.332 -5.920 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.855 0.093 -5.264 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.349 1.780 -6.396 1.00 0.00 C ATOM 0 H VAL A 34 8.336 -1.184 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 34 7.582 0.857 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 34 6.285 -0.316 -6.794 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.062 0.364 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.760 -0.959 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.772 0.704 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.527 2.018 -7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.318 2.450 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.297 1.905 -6.920 1.00 0.00 H new ATOM 449 N ALA A 35 6.236 -0.737 -2.952 1.00 0.00 N ATOM 450 CA ALA A 35 5.799 -1.674 -1.932 1.00 0.00 C ATOM 451 C ALA A 35 4.274 -1.618 -1.813 1.00 0.00 C ATOM 452 O ALA A 35 3.709 -0.563 -1.525 1.00 0.00 O ATOM 453 CB ALA A 35 6.499 -1.355 -0.611 1.00 0.00 C ATOM 0 H ALA A 35 5.930 0.225 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 35 6.071 -2.693 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.171 -2.059 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.578 -1.438 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.248 -0.340 -0.302 1.00 0.00 H new ATOM 459 N LEU A 36 3.651 -2.765 -2.040 1.00 0.00 N ATOM 460 CA LEU A 36 2.203 -2.860 -1.961 1.00 0.00 C ATOM 461 C LEU A 36 1.812 -3.569 -0.663 1.00 0.00 C ATOM 462 O LEU A 36 2.572 -4.386 -0.146 1.00 0.00 O ATOM 463 CB LEU A 36 1.641 -3.524 -3.219 1.00 0.00 C ATOM 464 CG LEU A 36 1.521 -2.629 -4.454 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.571 -3.459 -5.739 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.263 -1.760 -4.381 1.00 0.00 C ATOM 0 H LEU A 36 4.123 -3.637 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 36 1.757 -1.866 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.275 -4.374 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.653 -3.921 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 36 2.377 -1.955 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.484 -2.799 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.518 -3.997 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.747 -4.173 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.202 -1.133 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.618 -2.399 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.309 -1.128 -3.494 1.00 0.00 H new ATOM 477 N THR A 37 0.629 -3.230 -0.174 1.00 0.00 N ATOM 478 CA THR A 37 0.127 -3.824 1.053 1.00 0.00 C ATOM 479 C THR A 37 -1.401 -3.900 1.024 1.00 0.00 C ATOM 480 O THR A 37 -2.079 -2.879 1.129 1.00 0.00 O ATOM 481 CB THR A 37 0.673 -3.012 2.229 1.00 0.00 C ATOM 482 OG1 THR A 37 0.758 -1.682 1.723 1.00 0.00 O ATOM 483 CG2 THR A 37 2.120 -3.373 2.570 1.00 0.00 C ATOM 0 H THR A 37 0.003 -2.551 -0.606 1.00 0.00 H new ATOM 0 HA THR A 37 0.469 -4.853 1.163 1.00 0.00 H new ATOM 0 HB THR A 37 0.043 -3.173 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.102 -1.087 2.422 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.457 -2.768 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.179 -4.428 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.756 -3.181 1.706 1.00 0.00 H new ATOM 491 N TRP A 38 -1.898 -5.120 0.880 1.00 0.00 N ATOM 492 CA TRP A 38 -3.332 -5.343 0.835 1.00 0.00 C ATOM 493 C TRP A 38 -3.715 -6.203 2.042 1.00 0.00 C ATOM 494 O TRP A 38 -2.899 -6.973 2.543 1.00 0.00 O ATOM 495 CB TRP A 38 -3.750 -5.964 -0.499 1.00 0.00 C ATOM 496 CG TRP A 38 -3.091 -7.314 -0.790 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.516 -8.534 -0.433 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.864 -7.532 -1.517 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.656 -9.518 -0.876 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.619 -8.889 -1.556 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.990 -6.612 -2.124 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.504 -9.450 -2.189 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.121 -7.188 -2.752 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.381 -8.553 -2.800 1.00 0.00 C ATOM 0 H TRP A 38 -1.332 -5.964 0.793 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.871 -4.398 0.896 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.833 -6.091 -0.506 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.505 -5.271 -1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.418 -8.723 0.130 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.762 -10.522 -0.731 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.162 -5.546 -2.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.335 -10.517 -2.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.825 -6.525 -3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.262 -8.920 -3.306 1.00 0.00 H new ATOM 514 N THR A 39 -4.958 -6.043 2.472 1.00 0.00 N ATOM 515 CA THR A 39 -5.459 -6.795 3.610 1.00 0.00 C ATOM 516 C THR A 39 -6.223 -8.033 3.136 1.00 0.00 C ATOM 517 O THR A 39 -6.666 -8.093 1.990 1.00 0.00 O ATOM 518 CB THR A 39 -6.305 -5.850 4.466 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.151 -5.193 3.527 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.478 -4.717 5.078 1.00 0.00 C ATOM 0 H THR A 39 -5.633 -5.404 2.053 1.00 0.00 H new ATOM 0 HA THR A 39 -4.642 -7.171 4.226 1.00 0.00 H new ATOM 0 HB THR A 39 -6.790 -6.417 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.757 -4.586 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.126 -4.076 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.698 -5.138 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.020 -4.130 4.282 1.00 0.00 H new ATOM 528 N PRO A 40 -6.357 -9.016 4.066 1.00 0.00 N ATOM 529 CA PRO A 40 -7.061 -10.249 3.755 1.00 0.00 C ATOM 530 C PRO A 40 -8.574 -10.025 3.723 1.00 0.00 C ATOM 531 O PRO A 40 -9.065 -9.011 4.218 1.00 0.00 O ATOM 532 CB PRO A 40 -6.629 -11.230 4.832 1.00 0.00 C ATOM 533 CG PRO A 40 -6.069 -10.386 5.965 1.00 0.00 C ATOM 534 CD PRO A 40 -5.847 -8.980 5.434 1.00 0.00 C ATOM 0 HA PRO A 40 -6.819 -10.633 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.472 -11.832 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.877 -11.921 4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.761 -10.371 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.133 -10.809 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.377 -8.241 6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.791 -8.710 5.456 1.00 0.00 H new ATOM 539 N PRO A 41 -9.289 -11.011 3.120 1.00 0.00 N ATOM 540 CA PRO A 41 -10.736 -10.932 3.016 1.00 0.00 C ATOM 541 C PRO A 41 -11.399 -11.227 4.363 1.00 0.00 C ATOM 542 O PRO A 41 -10.866 -11.991 5.166 1.00 0.00 O ATOM 543 CB PRO A 41 -11.109 -11.936 1.938 1.00 0.00 C ATOM 544 CG PRO A 41 -9.917 -12.869 1.806 1.00 0.00 C ATOM 545 CD PRO A 41 -8.740 -12.225 2.522 1.00 0.00 C ATOM 0 HA PRO A 41 -11.085 -9.934 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.008 -12.488 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.319 -11.435 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.143 -13.842 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.679 -13.038 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.327 -12.889 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.932 -11.994 1.828 1.00 0.00 H new ATOM 550 N LYS A 42 -12.551 -10.606 4.568 1.00 0.00 N ATOM 551 CA LYS A 42 -13.292 -10.792 5.804 1.00 0.00 C ATOM 552 C LYS A 42 -14.221 -11.999 5.659 1.00 0.00 C ATOM 553 O LYS A 42 -14.859 -12.415 6.625 1.00 0.00 O ATOM 554 CB LYS A 42 -14.017 -9.503 6.194 1.00 0.00 C ATOM 555 CG LYS A 42 -13.254 -8.756 7.291 1.00 0.00 C ATOM 556 CD LYS A 42 -14.217 -8.016 8.222 1.00 0.00 C ATOM 557 CE LYS A 42 -14.537 -6.620 7.685 1.00 0.00 C ATOM 558 NZ LYS A 42 -15.054 -5.754 8.768 1.00 0.00 N ATOM 0 H LYS A 42 -12.990 -9.973 3.899 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.611 -11.009 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.123 -8.862 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.023 -9.738 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.655 -9.461 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.562 -8.046 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.138 -8.589 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.777 -7.935 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.640 -6.176 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.274 -6.692 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.266 -4.810 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.921 -6.171 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.338 -5.671 9.518 1.00 0.00 H new ATOM 568 N ASP A 43 -14.267 -12.528 4.445 1.00 0.00 N ATOM 569 CA ASP A 43 -15.107 -13.679 4.161 1.00 0.00 C ATOM 570 C ASP A 43 -14.221 -14.898 3.899 1.00 0.00 C ATOM 571 O ASP A 43 -13.758 -15.105 2.779 1.00 0.00 O ATOM 572 CB ASP A 43 -15.965 -13.442 2.917 1.00 0.00 C ATOM 573 CG ASP A 43 -17.277 -14.228 2.877 1.00 0.00 C ATOM 574 OD1 ASP A 43 -17.904 -14.339 3.952 1.00 0.00 O ATOM 575 OD2 ASP A 43 -17.622 -14.699 1.772 1.00 0.00 O ATOM 0 H ASP A 43 -13.736 -12.180 3.647 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.757 -13.843 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.194 -12.378 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.378 -13.699 2.035 1.00 0.00 H new ATOM 579 N ASP A 44 -14.011 -15.675 4.952 1.00 0.00 N ATOM 580 CA ASP A 44 -13.190 -16.869 4.850 1.00 0.00 C ATOM 581 C ASP A 44 -13.797 -17.977 5.714 1.00 0.00 C ATOM 582 O ASP A 44 -13.414 -18.145 6.871 1.00 0.00 O ATOM 583 CB ASP A 44 -11.769 -16.604 5.350 1.00 0.00 C ATOM 584 CG ASP A 44 -11.674 -16.091 6.788 1.00 0.00 C ATOM 585 OD1 ASP A 44 -12.651 -15.445 7.225 1.00 0.00 O ATOM 586 OD2 ASP A 44 -10.628 -16.356 7.418 1.00 0.00 O ATOM 0 H ASP A 44 -14.396 -15.500 5.880 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.154 -17.165 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.194 -17.527 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.297 -15.877 4.689 1.00 0.00 H new ATOM 590 N GLY A 45 -14.732 -18.702 5.120 1.00 0.00 N ATOM 591 CA GLY A 45 -15.396 -19.788 5.822 1.00 0.00 C ATOM 592 C GLY A 45 -15.813 -20.895 4.850 1.00 0.00 C ATOM 593 O GLY A 45 -15.584 -22.074 5.113 1.00 0.00 O ATOM 0 H GLY A 45 -15.046 -18.559 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.729 -20.197 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.274 -19.406 6.343 1.00 0.00 H new ATOM 597 N ASN A 46 -16.417 -20.473 3.748 1.00 0.00 N ATOM 598 CA ASN A 46 -16.868 -21.414 2.737 1.00 0.00 C ATOM 599 C ASN A 46 -15.918 -21.361 1.539 1.00 0.00 C ATOM 600 O ASN A 46 -16.359 -21.249 0.396 1.00 0.00 O ATOM 601 CB ASN A 46 -18.271 -21.060 2.243 1.00 0.00 C ATOM 602 CG ASN A 46 -19.341 -21.682 3.143 1.00 0.00 C ATOM 603 OD1 ASN A 46 -19.351 -21.511 4.350 1.00 0.00 O ATOM 604 ND2 ASN A 46 -20.240 -22.413 2.489 1.00 0.00 N ATOM 0 H ASN A 46 -16.604 -19.493 3.534 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.883 -22.408 3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -18.391 -19.977 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -18.400 -21.413 1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.995 -22.870 3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -20.174 -22.516 1.476 1.00 0.00 H new ATOM 610 N ALA A 47 -14.630 -21.446 1.840 1.00 0.00 N ATOM 611 CA ALA A 47 -13.614 -21.409 0.802 1.00 0.00 C ATOM 612 C ALA A 47 -12.229 -21.486 1.447 1.00 0.00 C ATOM 613 O ALA A 47 -12.105 -21.415 2.669 1.00 0.00 O ATOM 614 CB ALA A 47 -13.794 -20.147 -0.045 1.00 0.00 C ATOM 0 H ALA A 47 -14.267 -21.540 2.789 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.715 -22.266 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.032 -20.120 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.782 -20.155 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.697 -19.266 0.589 1.00 0.00 H new ATOM 620 N ALA A 48 -11.222 -21.630 0.596 1.00 0.00 N ATOM 621 CA ALA A 48 -9.851 -21.717 1.069 1.00 0.00 C ATOM 622 C ALA A 48 -8.958 -20.834 0.195 1.00 0.00 C ATOM 623 O ALA A 48 -8.615 -21.209 -0.926 1.00 0.00 O ATOM 624 CB ALA A 48 -9.404 -23.180 1.069 1.00 0.00 C ATOM 0 H ALA A 48 -11.329 -21.688 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.774 -21.352 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.375 -23.246 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.053 -23.759 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.465 -23.579 0.057 1.00 0.00 H new ATOM 630 N ILE A 49 -8.608 -19.679 0.740 1.00 0.00 N ATOM 631 CA ILE A 49 -7.762 -18.740 0.023 1.00 0.00 C ATOM 632 C ILE A 49 -6.558 -19.484 -0.557 1.00 0.00 C ATOM 633 O ILE A 49 -5.718 -19.987 0.187 1.00 0.00 O ATOM 634 CB ILE A 49 -7.381 -17.565 0.926 1.00 0.00 C ATOM 635 CG1 ILE A 49 -8.627 -16.815 1.406 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.387 -16.636 0.228 1.00 0.00 C ATOM 637 CD1 ILE A 49 -9.050 -17.290 2.798 1.00 0.00 C ATOM 0 H ILE A 49 -8.895 -19.372 1.669 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.303 -18.305 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.883 -17.962 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.425 -15.744 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.444 -16.970 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.133 -15.810 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.483 -17.192 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.835 -16.243 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.937 -16.742 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.274 -18.356 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.240 -17.111 3.505 1.00 0.00 H new ATOM 648 N THR A 50 -6.514 -19.531 -1.880 1.00 0.00 N ATOM 649 CA THR A 50 -5.427 -20.206 -2.570 1.00 0.00 C ATOM 650 C THR A 50 -4.224 -19.272 -2.710 1.00 0.00 C ATOM 651 O THR A 50 -3.078 -19.707 -2.602 1.00 0.00 O ATOM 652 CB THR A 50 -5.961 -20.716 -3.909 1.00 0.00 C ATOM 653 OG1 THR A 50 -6.934 -21.692 -3.546 1.00 0.00 O ATOM 654 CG2 THR A 50 -4.913 -21.508 -4.694 1.00 0.00 C ATOM 0 H THR A 50 -7.214 -19.113 -2.493 1.00 0.00 H new ATOM 0 HA THR A 50 -5.068 -21.063 -2.000 1.00 0.00 H new ATOM 0 HB THR A 50 -6.302 -19.872 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.333 -22.073 -4.356 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.344 -21.847 -5.636 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.052 -20.871 -4.897 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.596 -22.371 -4.109 1.00 0.00 H new ATOM 662 N GLY A 51 -4.525 -18.004 -2.951 1.00 0.00 N ATOM 663 CA GLY A 51 -3.482 -17.005 -3.108 1.00 0.00 C ATOM 664 C GLY A 51 -4.076 -15.646 -3.489 1.00 0.00 C ATOM 665 O GLY A 51 -5.131 -15.264 -2.985 1.00 0.00 O ATOM 0 H GLY A 51 -5.476 -17.646 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.920 -16.912 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.778 -17.326 -3.876 1.00 0.00 H new ATOM 669 N TYR A 52 -3.374 -14.956 -4.375 1.00 0.00 N ATOM 670 CA TYR A 52 -3.819 -13.649 -4.828 1.00 0.00 C ATOM 671 C TYR A 52 -3.141 -13.266 -6.145 1.00 0.00 C ATOM 672 O TYR A 52 -2.146 -13.874 -6.536 1.00 0.00 O ATOM 673 CB TYR A 52 -3.395 -12.659 -3.742 1.00 0.00 C ATOM 674 CG TYR A 52 -3.865 -13.038 -2.336 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.134 -12.695 -1.918 1.00 0.00 C ATOM 676 CD2 TYR A 52 -3.019 -13.723 -1.488 1.00 0.00 C ATOM 677 CE1 TYR A 52 -5.577 -13.052 -0.594 1.00 0.00 C ATOM 678 CE2 TYR A 52 -3.461 -14.079 -0.165 1.00 0.00 C ATOM 679 CZ TYR A 52 -4.718 -13.726 0.217 1.00 0.00 C ATOM 680 OH TYR A 52 -5.136 -14.063 1.467 1.00 0.00 O ATOM 0 H TYR A 52 -2.500 -15.277 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.896 -13.647 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.308 -12.580 -3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.786 -11.673 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.795 -12.159 -2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.026 -13.992 -1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.568 -12.790 -0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.809 -14.614 0.509 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.419 -14.542 1.934 1.00 0.00 H new ATOM 689 N THR A 53 -3.706 -12.259 -6.794 1.00 0.00 N ATOM 690 CA THR A 53 -3.169 -11.787 -8.059 1.00 0.00 C ATOM 691 C THR A 53 -2.793 -10.307 -7.959 1.00 0.00 C ATOM 692 O THR A 53 -3.397 -9.559 -7.192 1.00 0.00 O ATOM 693 CB THR A 53 -4.201 -12.079 -9.150 1.00 0.00 C ATOM 694 OG1 THR A 53 -4.237 -13.502 -9.221 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.724 -11.647 -10.538 1.00 0.00 C ATOM 0 H THR A 53 -4.531 -11.756 -6.467 1.00 0.00 H new ATOM 0 HA THR A 53 -2.247 -12.308 -8.316 1.00 0.00 H new ATOM 0 HB THR A 53 -5.135 -11.569 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.616 -13.777 -10.082 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.493 -11.877 -11.275 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.530 -10.574 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.808 -12.182 -10.791 1.00 0.00 H new ATOM 703 N ILE A 54 -1.795 -9.929 -8.745 1.00 0.00 N ATOM 704 CA ILE A 54 -1.332 -8.552 -8.755 1.00 0.00 C ATOM 705 C ILE A 54 -1.257 -8.054 -10.200 1.00 0.00 C ATOM 706 O ILE A 54 -0.806 -8.777 -11.087 1.00 0.00 O ATOM 707 CB ILE A 54 -0.011 -8.427 -7.993 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.192 -8.791 -6.518 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.594 -7.032 -8.169 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.690 -9.981 -6.135 1.00 0.00 C ATOM 0 H ILE A 54 -1.295 -10.552 -9.379 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.039 -7.908 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 54 0.696 -9.140 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.058 -7.933 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.237 -9.031 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.532 -6.970 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.782 -6.848 -9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.101 -6.283 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.542 -10.219 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.421 -10.844 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.736 -9.728 -6.307 1.00 0.00 H new ATOM 721 N GLN A 55 -1.707 -6.822 -10.391 1.00 0.00 N ATOM 722 CA GLN A 55 -1.697 -6.219 -11.713 1.00 0.00 C ATOM 723 C GLN A 55 -1.450 -4.713 -11.607 1.00 0.00 C ATOM 724 O GLN A 55 -2.176 -4.009 -10.907 1.00 0.00 O ATOM 725 CB GLN A 55 -3.002 -6.510 -12.458 1.00 0.00 C ATOM 726 CG GLN A 55 -3.191 -8.014 -12.666 1.00 0.00 C ATOM 727 CD GLN A 55 -4.354 -8.294 -13.620 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.244 -7.481 -13.810 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.295 -9.485 -14.209 1.00 0.00 N ATOM 0 H GLN A 55 -2.081 -6.226 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.883 -6.661 -12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.844 -6.109 -11.894 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.994 -6.004 -13.423 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.275 -8.447 -13.067 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.379 -8.497 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.521 -10.117 -14.004 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.023 -9.766 -14.865 1.00 0.00 H new ATOM 736 N LYS A 56 -0.424 -4.263 -12.313 1.00 0.00 N ATOM 737 CA LYS A 56 -0.072 -2.853 -12.308 1.00 0.00 C ATOM 738 C LYS A 56 -0.369 -2.253 -13.684 1.00 0.00 C ATOM 739 O LYS A 56 -0.494 -2.979 -14.669 1.00 0.00 O ATOM 740 CB LYS A 56 1.377 -2.664 -11.854 1.00 0.00 C ATOM 741 CG LYS A 56 2.354 -3.013 -12.979 1.00 0.00 C ATOM 742 CD LYS A 56 3.761 -3.251 -12.429 1.00 0.00 C ATOM 743 CE LYS A 56 4.775 -3.407 -13.564 1.00 0.00 C ATOM 744 NZ LYS A 56 5.466 -2.124 -13.821 1.00 0.00 N ATOM 0 H LYS A 56 0.176 -4.850 -12.893 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.681 -2.311 -11.585 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.532 -1.632 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.575 -3.294 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.008 -3.905 -13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.377 -2.204 -13.709 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.051 -2.417 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.765 -4.146 -11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.505 -4.174 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.268 -3.742 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.982 -2.182 -14.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.766 -1.357 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.137 -1.931 -13.050 1.00 0.00 H new ATOM 754 N ALA A 57 -0.473 -0.932 -13.707 1.00 0.00 N ATOM 755 CA ALA A 57 -0.753 -0.225 -14.946 1.00 0.00 C ATOM 756 C ALA A 57 -0.109 1.162 -14.893 1.00 0.00 C ATOM 757 O ALA A 57 0.212 1.660 -13.815 1.00 0.00 O ATOM 758 CB ALA A 57 -2.266 -0.159 -15.166 1.00 0.00 C ATOM 0 H ALA A 57 -0.368 -0.333 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.324 -0.755 -15.796 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.476 0.371 -16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.669 -1.170 -15.226 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.732 0.369 -14.334 1.00 0.00 H new ATOM 764 N ASP A 58 0.059 1.746 -16.070 1.00 0.00 N ATOM 765 CA ASP A 58 0.658 3.066 -16.172 1.00 0.00 C ATOM 766 C ASP A 58 -0.447 4.112 -16.340 1.00 0.00 C ATOM 767 O ASP A 58 -1.579 3.773 -16.681 1.00 0.00 O ATOM 768 CB ASP A 58 1.585 3.159 -17.385 1.00 0.00 C ATOM 769 CG ASP A 58 1.452 2.013 -18.390 1.00 0.00 C ATOM 770 OD1 ASP A 58 0.301 1.752 -18.804 1.00 0.00 O ATOM 771 OD2 ASP A 58 2.503 1.423 -18.721 1.00 0.00 O ATOM 0 H ASP A 58 -0.209 1.329 -16.962 1.00 0.00 H new ATOM 0 HA ASP A 58 1.234 3.245 -15.264 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.390 4.099 -17.901 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.616 3.196 -17.033 1.00 0.00 H new ATOM 775 N LYS A 59 -0.078 5.359 -16.093 1.00 0.00 N ATOM 776 CA LYS A 59 -1.024 6.457 -16.213 1.00 0.00 C ATOM 777 C LYS A 59 -0.937 7.048 -17.621 1.00 0.00 C ATOM 778 O LYS A 59 -1.229 8.226 -17.823 1.00 0.00 O ATOM 779 CB LYS A 59 -0.801 7.482 -15.100 1.00 0.00 C ATOM 780 CG LYS A 59 -1.800 7.281 -13.960 1.00 0.00 C ATOM 781 CD LYS A 59 -2.738 8.484 -13.836 1.00 0.00 C ATOM 782 CE LYS A 59 -3.944 8.337 -14.767 1.00 0.00 C ATOM 783 NZ LYS A 59 -5.043 9.231 -14.336 1.00 0.00 N ATOM 0 H LYS A 59 0.862 5.635 -15.810 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.044 6.096 -16.081 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.216 7.393 -14.717 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.902 8.490 -15.503 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.383 6.377 -14.137 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.263 7.135 -13.023 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.079 8.579 -12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.196 9.398 -14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.653 8.576 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.287 7.302 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.854 9.119 -14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.332 8.984 -13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.717 10.218 -14.359 1.00 0.00 H new ATOM 793 N LYS A 60 -0.533 6.204 -18.559 1.00 0.00 N ATOM 794 CA LYS A 60 -0.403 6.628 -19.943 1.00 0.00 C ATOM 795 C LYS A 60 -1.536 6.016 -20.769 1.00 0.00 C ATOM 796 O LYS A 60 -2.124 6.688 -21.615 1.00 0.00 O ATOM 797 CB LYS A 60 0.993 6.299 -20.476 1.00 0.00 C ATOM 798 CG LYS A 60 2.077 6.946 -19.611 1.00 0.00 C ATOM 799 CD LYS A 60 2.845 5.890 -18.813 1.00 0.00 C ATOM 800 CE LYS A 60 4.347 6.181 -18.821 1.00 0.00 C ATOM 801 NZ LYS A 60 4.812 6.546 -17.465 1.00 0.00 N ATOM 0 H LYS A 60 -0.291 5.228 -18.388 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.501 7.711 -20.019 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.134 5.218 -20.494 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.086 6.650 -21.504 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.768 7.502 -20.244 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.622 7.663 -18.928 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.481 5.869 -17.786 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.660 4.903 -19.237 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.891 5.305 -19.175 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.562 6.992 -19.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.619 7.198 -17.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.039 7.009 -16.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.105 5.688 -16.956 1.00 0.00 H new ATOM 811 N SER A 61 -1.809 4.750 -20.492 1.00 0.00 N ATOM 812 CA SER A 61 -2.861 4.039 -21.200 1.00 0.00 C ATOM 813 C SER A 61 -3.575 3.079 -20.247 1.00 0.00 C ATOM 814 O SER A 61 -4.239 2.142 -20.687 1.00 0.00 O ATOM 815 CB SER A 61 -2.300 3.277 -22.401 1.00 0.00 C ATOM 816 OG SER A 61 -2.261 4.084 -23.575 1.00 0.00 O ATOM 0 H SER A 61 -1.320 4.198 -19.787 1.00 0.00 H new ATOM 0 HA SER A 61 -3.578 4.771 -21.573 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.295 2.925 -22.170 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.912 2.394 -22.588 1.00 0.00 H new ATOM 0 HG SER A 61 -2.230 5.030 -23.321 1.00 0.00 H new ATOM 821 N MET A 62 -3.414 3.344 -18.959 1.00 0.00 N ATOM 822 CA MET A 62 -4.035 2.515 -17.940 1.00 0.00 C ATOM 823 C MET A 62 -4.022 1.041 -18.350 1.00 0.00 C ATOM 824 O MET A 62 -4.985 0.316 -18.107 1.00 0.00 O ATOM 825 CB MET A 62 -5.479 2.970 -17.720 1.00 0.00 C ATOM 826 CG MET A 62 -5.524 4.342 -17.044 1.00 0.00 C ATOM 827 SD MET A 62 -6.722 4.332 -15.722 1.00 0.00 S ATOM 828 CE MET A 62 -5.854 3.333 -14.524 1.00 0.00 C ATOM 0 H MET A 62 -2.862 4.122 -18.597 1.00 0.00 H new ATOM 0 HA MET A 62 -3.466 2.622 -17.016 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.000 3.015 -18.676 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.005 2.240 -17.105 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.539 4.596 -16.652 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.783 5.108 -17.775 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.091 3.682 -13.519 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.160 2.292 -14.628 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.780 3.414 -14.692 1.00 0.00 H new ATOM 836 N GLU A 63 -2.919 0.641 -18.967 1.00 0.00 N ATOM 837 CA GLU A 63 -2.767 -0.733 -19.414 1.00 0.00 C ATOM 838 C GLU A 63 -2.398 -1.637 -18.236 1.00 0.00 C ATOM 839 O GLU A 63 -1.391 -1.410 -17.567 1.00 0.00 O ATOM 840 CB GLU A 63 -1.726 -0.835 -20.531 1.00 0.00 C ATOM 841 CG GLU A 63 -1.884 0.309 -21.534 1.00 0.00 C ATOM 842 CD GLU A 63 -1.294 -0.069 -22.894 1.00 0.00 C ATOM 843 OE1 GLU A 63 -0.056 -0.231 -22.949 1.00 0.00 O ATOM 844 OE2 GLU A 63 -2.094 -0.187 -23.846 1.00 0.00 O ATOM 0 H GLU A 63 -2.122 1.245 -19.168 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.721 -1.070 -19.820 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.724 -0.812 -20.102 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.831 -1.791 -21.045 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.940 0.555 -21.647 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.388 1.202 -21.154 1.00 0.00 H new ATOM 849 N TRP A 64 -3.233 -2.642 -18.017 1.00 0.00 N ATOM 850 CA TRP A 64 -3.007 -3.580 -16.931 1.00 0.00 C ATOM 851 C TRP A 64 -2.234 -4.775 -17.492 1.00 0.00 C ATOM 852 O TRP A 64 -2.668 -5.401 -18.458 1.00 0.00 O ATOM 853 CB TRP A 64 -4.327 -3.979 -16.268 1.00 0.00 C ATOM 854 CG TRP A 64 -5.097 -2.806 -15.658 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.114 -2.118 -16.195 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.869 -2.208 -14.364 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.556 -1.125 -15.346 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.776 -1.181 -14.197 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.928 -2.524 -13.369 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.830 -0.387 -13.045 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.996 -1.721 -12.224 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.902 -0.683 -12.040 1.00 0.00 C ATOM 0 H TRP A 64 -4.067 -2.827 -18.574 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.412 -3.121 -16.141 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.959 -4.470 -17.008 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.123 -4.711 -15.487 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.535 -2.316 -17.170 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.316 -0.470 -15.528 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.209 -3.323 -13.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.549 0.411 -12.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.295 -1.922 -11.427 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.890 -0.108 -11.126 1.00 0.00 H new ATOM 872 N PHE A 65 -1.103 -5.056 -16.862 1.00 0.00 N ATOM 873 CA PHE A 65 -0.266 -6.165 -17.287 1.00 0.00 C ATOM 874 C PHE A 65 0.008 -7.122 -16.124 1.00 0.00 C ATOM 875 O PHE A 65 0.644 -6.744 -15.141 1.00 0.00 O ATOM 876 CB PHE A 65 1.061 -5.568 -17.763 1.00 0.00 C ATOM 877 CG PHE A 65 1.216 -5.533 -19.284 1.00 0.00 C ATOM 878 CD1 PHE A 65 0.437 -4.703 -20.029 1.00 0.00 C ATOM 879 CD2 PHE A 65 2.134 -6.331 -19.892 1.00 0.00 C ATOM 880 CE1 PHE A 65 0.583 -4.670 -21.440 1.00 0.00 C ATOM 881 CE2 PHE A 65 2.278 -6.299 -21.305 1.00 0.00 C ATOM 882 CZ PHE A 65 1.500 -5.469 -22.049 1.00 0.00 C ATOM 0 H PHE A 65 -0.747 -4.535 -16.061 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.766 -6.727 -18.076 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.151 -4.553 -17.375 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.881 -6.146 -17.337 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.292 -4.069 -19.547 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.754 -6.989 -19.301 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.035 -4.010 -22.031 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.006 -6.934 -21.788 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.610 -5.444 -23.123 1.00 0.00 H new ATOM 891 N THR A 66 -0.486 -8.342 -16.276 1.00 0.00 N ATOM 892 CA THR A 66 -0.303 -9.355 -15.251 1.00 0.00 C ATOM 893 C THR A 66 1.116 -9.292 -14.685 1.00 0.00 C ATOM 894 O THR A 66 2.089 -9.481 -15.414 1.00 0.00 O ATOM 895 CB THR A 66 -0.653 -10.714 -15.862 1.00 0.00 C ATOM 896 OG1 THR A 66 -2.076 -10.768 -15.798 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.197 -11.885 -14.988 1.00 0.00 C ATOM 0 H THR A 66 -1.012 -8.651 -17.093 1.00 0.00 H new ATOM 0 HA THR A 66 -0.965 -9.183 -14.403 1.00 0.00 H new ATOM 0 HB THR A 66 -0.195 -10.797 -16.848 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.388 -11.617 -16.175 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.470 -12.825 -15.468 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.885 -11.844 -14.860 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.681 -11.821 -14.013 1.00 0.00 H new ATOM 905 N VAL A 67 1.192 -9.024 -13.389 1.00 0.00 N ATOM 906 CA VAL A 67 2.476 -8.933 -12.717 1.00 0.00 C ATOM 907 C VAL A 67 2.844 -10.302 -12.141 1.00 0.00 C ATOM 908 O VAL A 67 3.950 -10.794 -12.359 1.00 0.00 O ATOM 909 CB VAL A 67 2.435 -7.830 -11.657 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.591 -7.979 -10.666 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.444 -6.444 -12.307 1.00 0.00 C ATOM 0 H VAL A 67 0.384 -8.867 -12.787 1.00 0.00 H new ATOM 0 HA VAL A 67 3.258 -8.657 -13.424 1.00 0.00 H new ATOM 0 HB VAL A 67 1.503 -7.933 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.539 -7.183 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.520 -8.946 -10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.539 -7.915 -11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.414 -5.678 -11.532 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.351 -6.326 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.573 -6.340 -12.954 1.00 0.00 H new ATOM 921 N ILE A 68 1.896 -10.877 -11.417 1.00 0.00 N ATOM 922 CA ILE A 68 2.106 -12.179 -10.808 1.00 0.00 C ATOM 923 C ILE A 68 0.767 -12.913 -10.707 1.00 0.00 C ATOM 924 O ILE A 68 -0.292 -12.302 -10.844 1.00 0.00 O ATOM 925 CB ILE A 68 2.829 -12.034 -9.467 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.901 -13.113 -9.301 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.834 -12.031 -8.304 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.162 -12.538 -8.653 1.00 0.00 C ATOM 0 H ILE A 68 0.980 -10.465 -11.238 1.00 0.00 H new ATOM 0 HA ILE A 68 2.759 -12.789 -11.432 1.00 0.00 H new ATOM 0 HB ILE A 68 3.338 -11.070 -9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.512 -13.926 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.149 -13.537 -10.274 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.374 -11.927 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.142 -11.197 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.276 -12.967 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.908 -13.326 -8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.562 -11.741 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.915 -12.137 -7.670 1.00 0.00 H new ATOM 939 N GLU A 69 0.858 -14.214 -10.471 1.00 0.00 N ATOM 940 CA GLU A 69 -0.333 -15.037 -10.351 1.00 0.00 C ATOM 941 C GLU A 69 -0.075 -16.208 -9.399 1.00 0.00 C ATOM 942 O GLU A 69 1.031 -16.741 -9.352 1.00 0.00 O ATOM 943 CB GLU A 69 -0.795 -15.536 -11.722 1.00 0.00 C ATOM 944 CG GLU A 69 -1.300 -14.378 -12.585 1.00 0.00 C ATOM 945 CD GLU A 69 -2.381 -14.852 -13.560 1.00 0.00 C ATOM 946 OE1 GLU A 69 -2.179 -15.936 -14.147 1.00 0.00 O ATOM 947 OE2 GLU A 69 -3.383 -14.118 -13.695 1.00 0.00 O ATOM 0 H GLU A 69 1.738 -14.718 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.134 -14.425 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.030 -16.038 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.588 -16.273 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.701 -13.591 -11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.469 -13.944 -13.141 1.00 0.00 H new ATOM 952 N HIS A 70 -1.117 -16.572 -8.666 1.00 0.00 N ATOM 953 CA HIS A 70 -1.017 -17.670 -7.719 1.00 0.00 C ATOM 954 C HIS A 70 0.087 -17.372 -6.703 1.00 0.00 C ATOM 955 O HIS A 70 1.030 -18.150 -6.560 1.00 0.00 O ATOM 956 CB HIS A 70 -0.810 -19.000 -8.447 1.00 0.00 C ATOM 957 CG HIS A 70 -1.862 -19.299 -9.489 1.00 0.00 C ATOM 958 ND1 HIS A 70 -2.630 -18.464 -10.247 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -2.218 -20.588 -9.845 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -3.412 -19.203 -11.025 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -3.159 -20.520 -10.777 1.00 0.00 N flip ATOM 0 H HIS A 70 -2.034 -16.127 -8.708 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.953 -17.766 -7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.169 -18.992 -8.926 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.800 -19.806 -7.714 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.800 -21.495 -9.434 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.130 -18.824 -11.737 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.614 -21.313 -11.229 1.00 0.00 H new ATOM 968 N TYR A 71 -0.066 -16.246 -6.024 1.00 0.00 N ATOM 969 CA TYR A 71 0.907 -15.836 -5.025 1.00 0.00 C ATOM 970 C TYR A 71 0.570 -16.429 -3.655 1.00 0.00 C ATOM 971 O TYR A 71 -0.235 -17.354 -3.557 1.00 0.00 O ATOM 972 CB TYR A 71 0.812 -14.311 -4.945 1.00 0.00 C ATOM 973 CG TYR A 71 2.118 -13.626 -4.538 1.00 0.00 C ATOM 974 CD1 TYR A 71 3.316 -14.046 -5.083 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.100 -12.590 -3.628 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.545 -13.402 -4.700 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.330 -11.946 -3.246 1.00 0.00 C ATOM 978 CZ TYR A 71 4.491 -12.384 -3.800 1.00 0.00 C ATOM 979 OH TYR A 71 5.653 -11.775 -3.439 1.00 0.00 O ATOM 0 H TYR A 71 -0.849 -15.604 -6.145 1.00 0.00 H new ATOM 0 HA TYR A 71 1.905 -16.179 -5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.499 -13.925 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.035 -14.043 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.330 -14.857 -5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.164 -12.262 -3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.489 -13.720 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.330 -11.133 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 71 5.463 -11.065 -2.791 1.00 0.00 H new ATOM 988 N HIS A 72 1.202 -15.871 -2.633 1.00 0.00 N ATOM 989 CA HIS A 72 0.979 -16.333 -1.274 1.00 0.00 C ATOM 990 C HIS A 72 0.952 -15.135 -0.323 1.00 0.00 C ATOM 991 O HIS A 72 -0.087 -14.821 0.256 1.00 0.00 O ATOM 992 CB HIS A 72 2.022 -17.381 -0.878 1.00 0.00 C ATOM 993 CG HIS A 72 1.449 -18.571 -0.145 1.00 0.00 C ATOM 994 ND1 HIS A 72 1.308 -18.608 1.231 1.00 0.00 N ATOM 995 CD2 HIS A 72 0.982 -19.765 -0.612 1.00 0.00 C ATOM 996 CE1 HIS A 72 0.781 -19.775 1.567 1.00 0.00 C ATOM 997 NE2 HIS A 72 0.580 -20.491 0.423 1.00 0.00 N ATOM 0 H HIS A 72 1.868 -15.103 -2.719 1.00 0.00 H new ATOM 0 HA HIS A 72 0.010 -16.827 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.530 -17.731 -1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.776 -16.908 -0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.946 -20.068 -1.648 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.551 -20.103 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.185 -21.430 0.372 1.00 0.00 H new ATOM 1004 N ARG A 73 2.107 -14.500 -0.189 1.00 0.00 N ATOM 1005 CA ARG A 73 2.229 -13.344 0.682 1.00 0.00 C ATOM 1006 C ARG A 73 1.149 -12.312 0.350 1.00 0.00 C ATOM 1007 O ARG A 73 0.439 -12.452 -0.645 1.00 0.00 O ATOM 1008 CB ARG A 73 3.607 -12.693 0.544 1.00 0.00 C ATOM 1009 CG ARG A 73 4.381 -12.763 1.861 1.00 0.00 C ATOM 1010 CD ARG A 73 4.060 -11.560 2.751 1.00 0.00 C ATOM 1011 NE ARG A 73 5.284 -11.101 3.445 1.00 0.00 N ATOM 1012 CZ ARG A 73 5.743 -11.631 4.586 1.00 0.00 C ATOM 1013 NH1 ARG A 73 5.083 -12.641 5.170 1.00 0.00 N ATOM 1014 NH2 ARG A 73 6.863 -11.152 5.144 1.00 0.00 N ATOM 0 H ARG A 73 2.967 -14.765 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 73 2.104 -13.688 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.173 -13.194 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.493 -11.652 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.130 -13.685 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.451 -12.793 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.649 -10.750 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.298 -11.831 3.482 1.00 0.00 H new ATOM 0 HE ARG A 73 5.811 -10.333 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.231 -13.006 4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.433 -13.044 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.366 -10.384 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.213 -11.556 6.013 1.00 0.00 H new ATOM 1025 N THR A 74 1.062 -11.300 1.199 1.00 0.00 N ATOM 1026 CA THR A 74 0.081 -10.246 1.009 1.00 0.00 C ATOM 1027 C THR A 74 0.760 -8.970 0.507 1.00 0.00 C ATOM 1028 O THR A 74 0.090 -7.982 0.207 1.00 0.00 O ATOM 1029 CB THR A 74 -0.672 -10.054 2.326 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.360 -9.936 3.302 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.441 -11.308 2.749 1.00 0.00 C ATOM 0 H THR A 74 1.655 -11.187 2.021 1.00 0.00 H new ATOM 0 HA THR A 74 -0.644 -10.516 0.241 1.00 0.00 H new ATOM 0 HB THR A 74 -1.365 -9.218 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.040 -9.807 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.958 -11.118 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.170 -11.565 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.744 -12.136 2.879 1.00 0.00 H new ATOM 1039 N SER A 75 2.081 -9.032 0.430 1.00 0.00 N ATOM 1040 CA SER A 75 2.859 -7.895 -0.031 1.00 0.00 C ATOM 1041 C SER A 75 3.841 -8.337 -1.118 1.00 0.00 C ATOM 1042 O SER A 75 4.438 -9.408 -1.021 1.00 0.00 O ATOM 1043 CB SER A 75 3.611 -7.236 1.128 1.00 0.00 C ATOM 1044 OG SER A 75 3.734 -8.108 2.248 1.00 0.00 O ATOM 0 H SER A 75 2.633 -9.853 0.679 1.00 0.00 H new ATOM 0 HA SER A 75 2.173 -7.159 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.603 -6.935 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.088 -6.329 1.430 1.00 0.00 H new ATOM 0 HG SER A 75 4.221 -7.652 2.966 1.00 0.00 H new ATOM 1049 N ALA A 76 3.976 -7.490 -2.128 1.00 0.00 N ATOM 1050 CA ALA A 76 4.875 -7.781 -3.232 1.00 0.00 C ATOM 1051 C ALA A 76 5.564 -6.489 -3.676 1.00 0.00 C ATOM 1052 O ALA A 76 4.930 -5.437 -3.751 1.00 0.00 O ATOM 1053 CB ALA A 76 4.092 -8.445 -4.366 1.00 0.00 C ATOM 0 H ALA A 76 3.478 -6.603 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 76 5.653 -8.479 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.766 -8.663 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.647 -9.373 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.304 -7.773 -4.707 1.00 0.00 H new ATOM 1059 N THR A 77 6.852 -6.610 -3.960 1.00 0.00 N ATOM 1060 CA THR A 77 7.634 -5.465 -4.395 1.00 0.00 C ATOM 1061 C THR A 77 7.634 -5.368 -5.921 1.00 0.00 C ATOM 1062 O THR A 77 8.050 -6.301 -6.606 1.00 0.00 O ATOM 1063 CB THR A 77 9.035 -5.594 -3.794 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.822 -5.494 -2.389 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.926 -4.393 -4.122 1.00 0.00 C ATOM 0 H THR A 77 7.374 -7.484 -3.897 1.00 0.00 H new ATOM 0 HA THR A 77 7.198 -4.531 -4.042 1.00 0.00 H new ATOM 0 HB THR A 77 9.504 -6.506 -4.162 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.680 -5.569 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.908 -4.535 -3.672 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.032 -4.303 -5.203 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.473 -3.485 -3.725 1.00 0.00 H new ATOM 1073 N ILE A 78 7.162 -4.231 -6.410 1.00 0.00 N ATOM 1074 CA ILE A 78 7.103 -4.000 -7.843 1.00 0.00 C ATOM 1075 C ILE A 78 8.471 -3.524 -8.337 1.00 0.00 C ATOM 1076 O ILE A 78 9.208 -2.874 -7.599 1.00 0.00 O ATOM 1077 CB ILE A 78 5.959 -3.042 -8.185 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.660 -3.474 -7.500 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.791 -2.906 -9.699 1.00 0.00 C ATOM 1080 CD1 ILE A 78 3.965 -4.582 -8.294 1.00 0.00 C ATOM 0 H ILE A 78 6.817 -3.459 -5.839 1.00 0.00 H new ATOM 0 HA ILE A 78 6.880 -4.928 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 78 6.214 -2.054 -7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.876 -3.825 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.993 -2.617 -7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.972 -2.220 -9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.712 -2.519 -10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.569 -3.882 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.045 -4.871 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.729 -4.219 -9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.626 -5.446 -8.368 1.00 0.00 H new ATOM 1091 N THR A 79 8.767 -3.868 -9.581 1.00 0.00 N ATOM 1092 CA THR A 79 10.033 -3.484 -10.182 1.00 0.00 C ATOM 1093 C THR A 79 9.807 -2.910 -11.582 1.00 0.00 C ATOM 1094 O THR A 79 8.676 -2.865 -12.064 1.00 0.00 O ATOM 1095 CB THR A 79 10.952 -4.707 -10.168 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.086 -5.797 -10.474 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.477 -5.029 -8.768 1.00 0.00 C ATOM 0 H THR A 79 8.152 -4.408 -10.190 1.00 0.00 H new ATOM 0 HA THR A 79 10.516 -2.689 -9.614 1.00 0.00 H new ATOM 0 HB THR A 79 11.793 -4.536 -10.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.601 -6.630 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.124 -5.905 -8.815 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.044 -4.179 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.638 -5.232 -8.103 1.00 0.00 H new ATOM 1105 N GLU A 80 10.902 -2.485 -12.196 1.00 0.00 N ATOM 1106 CA GLU A 80 10.837 -1.915 -13.531 1.00 0.00 C ATOM 1107 C GLU A 80 9.891 -0.713 -13.550 1.00 0.00 C ATOM 1108 O GLU A 80 8.845 -0.752 -14.197 1.00 0.00 O ATOM 1109 CB GLU A 80 10.408 -2.967 -14.556 1.00 0.00 C ATOM 1110 CG GLU A 80 11.623 -3.567 -15.268 1.00 0.00 C ATOM 1111 CD GLU A 80 11.229 -4.152 -16.625 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.270 -4.955 -16.639 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.895 -3.785 -17.617 1.00 0.00 O ATOM 0 H GLU A 80 11.839 -2.524 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 80 11.834 -1.572 -13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.847 -3.758 -14.058 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.739 -2.515 -15.289 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.384 -2.799 -15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.065 -4.346 -14.647 1.00 0.00 H new ATOM 1118 N LEU A 81 10.291 0.327 -12.832 1.00 0.00 N ATOM 1119 CA LEU A 81 9.492 1.537 -12.759 1.00 0.00 C ATOM 1120 C LEU A 81 10.374 2.746 -13.078 1.00 0.00 C ATOM 1121 O LEU A 81 11.475 2.873 -12.546 1.00 0.00 O ATOM 1122 CB LEU A 81 8.786 1.632 -11.404 1.00 0.00 C ATOM 1123 CG LEU A 81 7.837 0.482 -11.060 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.506 0.473 -9.567 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.577 0.534 -11.927 1.00 0.00 C ATOM 0 H LEU A 81 11.158 0.356 -12.296 1.00 0.00 H new ATOM 0 HA LEU A 81 8.698 1.515 -13.506 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.545 1.696 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.221 2.564 -11.375 1.00 0.00 H new ATOM 0 HG LEU A 81 8.343 -0.458 -11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.830 -0.354 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.424 0.353 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.028 1.414 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.919 -0.294 -11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.058 1.478 -11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.855 0.455 -12.978 1.00 0.00 H new ATOM 1136 N VAL A 82 9.857 3.602 -13.946 1.00 0.00 N ATOM 1137 CA VAL A 82 10.584 4.797 -14.343 1.00 0.00 C ATOM 1138 C VAL A 82 10.275 5.927 -13.359 1.00 0.00 C ATOM 1139 O VAL A 82 9.111 6.208 -13.078 1.00 0.00 O ATOM 1140 CB VAL A 82 10.248 5.156 -15.792 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.847 6.512 -16.173 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.717 4.060 -16.752 1.00 0.00 C ATOM 0 H VAL A 82 8.943 3.493 -14.386 1.00 0.00 H new ATOM 0 HA VAL A 82 11.659 4.620 -14.307 1.00 0.00 H new ATOM 0 HB VAL A 82 9.164 5.233 -15.876 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.594 6.744 -17.208 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.443 7.285 -15.519 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.931 6.474 -16.064 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.466 4.340 -17.775 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.796 3.937 -16.664 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.223 3.121 -16.501 1.00 0.00 H new ATOM 1152 N ILE A 83 11.338 6.545 -12.865 1.00 0.00 N ATOM 1153 CA ILE A 83 11.194 7.639 -11.919 1.00 0.00 C ATOM 1154 C ILE A 83 10.653 8.870 -12.648 1.00 0.00 C ATOM 1155 O ILE A 83 11.223 9.304 -13.648 1.00 0.00 O ATOM 1156 CB ILE A 83 12.513 7.888 -11.186 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.897 6.685 -10.321 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.451 9.183 -10.371 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.295 6.860 -9.727 1.00 0.00 C ATOM 0 H ILE A 83 12.302 6.309 -13.102 1.00 0.00 H new ATOM 0 HA ILE A 83 10.469 7.383 -11.146 1.00 0.00 H new ATOM 0 HB ILE A 83 13.299 8.012 -11.931 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.170 6.563 -9.518 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.864 5.776 -10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.401 9.337 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.257 10.023 -11.038 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.650 9.112 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.543 5.991 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.023 6.957 -10.532 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.317 7.757 -9.107 1.00 0.00 H new ATOM 1170 N GLY A 84 9.560 9.399 -12.118 1.00 0.00 N ATOM 1171 CA GLY A 84 8.935 10.571 -12.706 1.00 0.00 C ATOM 1172 C GLY A 84 7.609 10.209 -13.377 1.00 0.00 C ATOM 1173 O GLY A 84 7.343 10.628 -14.503 1.00 0.00 O ATOM 0 H GLY A 84 9.091 9.037 -11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.763 11.321 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.607 11.017 -13.439 1.00 0.00 H new ATOM 1177 N ASN A 85 6.811 9.432 -12.658 1.00 0.00 N ATOM 1178 CA ASN A 85 5.520 9.007 -13.170 1.00 0.00 C ATOM 1179 C ASN A 85 4.756 8.271 -12.068 1.00 0.00 C ATOM 1180 O ASN A 85 5.347 7.841 -11.079 1.00 0.00 O ATOM 1181 CB ASN A 85 5.683 8.051 -14.353 1.00 0.00 C ATOM 1182 CG ASN A 85 5.649 8.810 -15.681 1.00 0.00 C ATOM 1183 OD1 ASN A 85 6.600 8.446 -16.536 1.00 0.00 O flip ATOM 1184 ND2 ASN A 85 4.814 9.669 -15.913 1.00 0.00 N flip ATOM 0 H ASN A 85 7.034 9.086 -11.725 1.00 0.00 H new ATOM 0 HA ASN A 85 4.979 9.895 -13.497 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.626 7.512 -14.262 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.887 7.306 -14.335 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.111 9.900 -15.211 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.819 10.156 -16.809 1.00 0.00 H new ATOM 1190 N GLU A 86 3.453 8.148 -12.275 1.00 0.00 N ATOM 1191 CA GLU A 86 2.602 7.470 -11.312 1.00 0.00 C ATOM 1192 C GLU A 86 2.100 6.144 -11.886 1.00 0.00 C ATOM 1193 O GLU A 86 1.910 6.020 -13.095 1.00 0.00 O ATOM 1194 CB GLU A 86 1.434 8.363 -10.890 1.00 0.00 C ATOM 1195 CG GLU A 86 0.703 8.922 -12.112 1.00 0.00 C ATOM 1196 CD GLU A 86 1.089 10.381 -12.361 1.00 0.00 C ATOM 1197 OE1 GLU A 86 0.606 11.237 -11.588 1.00 0.00 O ATOM 1198 OE2 GLU A 86 1.859 10.608 -13.320 1.00 0.00 O ATOM 0 H GLU A 86 2.966 8.507 -13.096 1.00 0.00 H new ATOM 0 HA GLU A 86 3.193 7.256 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.738 7.792 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.803 9.184 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.944 8.323 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.374 8.847 -11.962 1.00 0.00 H new ATOM 1203 N TYR A 87 1.901 5.187 -10.993 1.00 0.00 N ATOM 1204 CA TYR A 87 1.425 3.874 -11.396 1.00 0.00 C ATOM 1205 C TYR A 87 0.318 3.382 -10.463 1.00 0.00 C ATOM 1206 O TYR A 87 0.259 3.778 -9.300 1.00 0.00 O ATOM 1207 CB TYR A 87 2.628 2.935 -11.280 1.00 0.00 C ATOM 1208 CG TYR A 87 3.779 3.277 -12.229 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.767 4.151 -11.826 1.00 0.00 C ATOM 1210 CD2 TYR A 87 3.826 2.712 -13.487 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.851 4.473 -12.720 1.00 0.00 C ATOM 1212 CE2 TYR A 87 4.910 3.033 -14.379 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.868 3.898 -13.951 1.00 0.00 C ATOM 1214 OH TYR A 87 6.891 4.202 -14.795 1.00 0.00 O ATOM 0 H TYR A 87 2.061 5.294 -9.991 1.00 0.00 H new ATOM 0 HA TYR A 87 1.017 3.908 -12.406 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.997 2.959 -10.255 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.300 1.914 -11.477 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.729 4.594 -10.842 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.051 2.030 -13.802 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.632 5.156 -12.418 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.961 2.597 -15.366 1.00 0.00 H new ATOM 0 HH TYR A 87 6.774 3.718 -15.639 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.535 2.526 -11.008 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.638 1.977 -10.239 1.00 0.00 C ATOM 1225 C TYR A 88 -1.424 0.487 -9.960 1.00 0.00 C ATOM 1226 O TYR A 88 -0.530 -0.133 -10.536 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.885 2.146 -11.109 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.497 3.547 -11.052 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.941 4.059 -9.850 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.603 4.301 -12.204 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.517 5.378 -9.797 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.179 5.620 -12.151 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.607 6.093 -10.951 1.00 0.00 C ATOM 1234 OH TYR A 88 -5.151 7.339 -10.901 1.00 0.00 O ATOM 0 H TYR A 88 -0.484 2.200 -11.973 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.726 2.485 -9.279 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.629 1.914 -12.143 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.635 1.420 -10.796 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.857 3.470 -8.948 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.254 3.902 -13.145 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.869 5.790 -8.863 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.269 6.220 -13.045 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.150 7.733 -11.798 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.259 -0.043 -9.080 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.172 -1.449 -8.718 1.00 0.00 C ATOM 1245 C PHE A 89 -3.539 -1.991 -8.297 1.00 0.00 C ATOM 1246 O PHE A 89 -4.392 -1.239 -7.828 1.00 0.00 O ATOM 1247 CB PHE A 89 -1.210 -1.547 -7.532 1.00 0.00 C ATOM 1248 CG PHE A 89 0.159 -0.913 -7.789 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.075 -1.560 -8.558 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.460 0.298 -7.246 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.345 -0.973 -8.795 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.731 0.885 -7.483 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.647 0.238 -8.252 1.00 0.00 C ATOM 0 H PHE A 89 -2.999 0.475 -8.606 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.826 -2.033 -9.571 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.666 -1.066 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.071 -2.597 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.836 -2.521 -8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.267 0.812 -6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.072 -1.487 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.970 1.846 -7.052 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.614 0.685 -8.432 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.705 -3.294 -8.479 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.953 -3.945 -8.124 1.00 0.00 C ATOM 1264 C ARG A 90 -4.697 -5.399 -7.721 1.00 0.00 C ATOM 1265 O ARG A 90 -4.138 -6.174 -8.497 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.943 -3.915 -9.290 1.00 0.00 C ATOM 1267 CG ARG A 90 -6.869 -2.700 -9.193 1.00 0.00 C ATOM 1268 CD ARG A 90 -7.425 -2.324 -10.567 1.00 0.00 C ATOM 1269 NE ARG A 90 -8.277 -3.418 -11.084 1.00 0.00 N ATOM 1270 CZ ARG A 90 -9.575 -3.566 -10.786 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -10.178 -2.692 -9.970 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -10.268 -4.589 -11.303 1.00 0.00 N ATOM 0 H ARG A 90 -2.995 -3.915 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.383 -3.400 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.398 -3.887 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.536 -4.829 -9.292 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.691 -2.918 -8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.323 -1.855 -8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.005 -1.404 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.606 -2.131 -11.260 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.849 -4.103 -11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.649 -1.914 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.166 -2.804 -9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.808 -5.255 -11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.256 -4.702 -11.076 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.117 -5.726 -6.507 1.00 0.00 N ATOM 1284 CA VAL A 91 -4.939 -7.073 -5.992 1.00 0.00 C ATOM 1285 C VAL A 91 -6.302 -7.762 -5.896 1.00 0.00 C ATOM 1286 O VAL A 91 -7.301 -7.126 -5.566 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.198 -7.027 -4.654 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -3.985 -8.436 -4.096 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -2.867 -6.286 -4.789 1.00 0.00 C ATOM 0 H VAL A 91 -5.580 -5.082 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.323 -7.663 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.819 -6.476 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.456 -8.375 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.951 -8.917 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.396 -9.022 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.361 -6.268 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.239 -6.797 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.051 -5.264 -5.121 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.299 -9.053 -6.193 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.522 -9.835 -6.146 1.00 0.00 C ATOM 1301 C PHE A 92 -7.434 -10.925 -5.075 1.00 0.00 C ATOM 1302 O PHE A 92 -6.609 -10.844 -4.167 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.685 -10.495 -7.516 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.389 -9.564 -8.694 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -6.104 -9.235 -8.995 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -8.411 -9.064 -9.439 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -5.829 -8.371 -10.088 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.137 -8.200 -10.533 1.00 0.00 C ATOM 1309 CZ PHE A 92 -6.851 -7.872 -10.833 1.00 0.00 C ATOM 0 H PHE A 92 -5.468 -9.577 -6.467 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.367 -9.190 -5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.022 -11.359 -7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.705 -10.869 -7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.292 -9.631 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.431 -9.324 -9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.809 -8.110 -10.327 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.948 -7.804 -11.126 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.642 -7.215 -11.664 1.00 0.00 H new ATOM 1318 N SER A 93 -8.297 -11.921 -5.219 1.00 0.00 N ATOM 1319 CA SER A 93 -8.328 -13.025 -4.275 1.00 0.00 C ATOM 1320 C SER A 93 -8.464 -14.352 -5.027 1.00 0.00 C ATOM 1321 O SER A 93 -9.418 -14.549 -5.777 1.00 0.00 O ATOM 1322 CB SER A 93 -9.473 -12.864 -3.274 1.00 0.00 C ATOM 1323 OG SER A 93 -9.461 -11.581 -2.652 1.00 0.00 O ATOM 0 H SER A 93 -8.979 -11.986 -5.975 1.00 0.00 H new ATOM 0 HA SER A 93 -7.392 -13.023 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.425 -13.011 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.399 -13.638 -2.510 1.00 0.00 H new ATOM 0 HG SER A 93 -10.242 -11.067 -2.947 1.00 0.00 H new ATOM 1328 N GLU A 94 -7.495 -15.226 -4.800 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.494 -16.527 -5.445 1.00 0.00 C ATOM 1330 C GLU A 94 -8.057 -17.589 -4.500 1.00 0.00 C ATOM 1331 O GLU A 94 -7.963 -17.454 -3.281 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.089 -16.904 -5.918 1.00 0.00 C ATOM 1333 CG GLU A 94 -5.966 -16.766 -7.437 1.00 0.00 C ATOM 1334 CD GLU A 94 -5.725 -18.127 -8.094 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -6.370 -19.098 -7.641 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -4.902 -18.165 -9.034 1.00 0.00 O ATOM 0 H GLU A 94 -6.704 -15.058 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.136 -16.474 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.353 -16.264 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.865 -17.929 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.875 -16.320 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.145 -16.091 -7.679 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.632 -18.623 -5.097 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.210 -19.709 -4.323 1.00 0.00 C ATOM 1343 C ASN A 95 -9.715 -20.795 -5.274 1.00 0.00 C ATOM 1344 O ASN A 95 -9.344 -20.820 -6.447 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.397 -19.220 -3.491 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.596 -18.894 -4.385 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.466 -18.624 -5.567 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -12.767 -18.935 -3.755 1.00 0.00 N ATOM 0 H ASN A 95 -8.710 -18.732 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.439 -20.097 -3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.677 -19.984 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.109 -18.334 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.627 -18.733 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.804 -19.168 -2.763 1.00 0.00 H new ATOM 1354 N MET A 96 -10.554 -21.667 -4.734 1.00 0.00 N ATOM 1355 CA MET A 96 -11.113 -22.754 -5.520 1.00 0.00 C ATOM 1356 C MET A 96 -12.108 -22.225 -6.556 1.00 0.00 C ATOM 1357 O MET A 96 -12.202 -22.759 -7.660 1.00 0.00 O ATOM 1358 CB MET A 96 -11.820 -23.744 -4.592 1.00 0.00 C ATOM 1359 CG MET A 96 -13.059 -23.112 -3.958 1.00 0.00 C ATOM 1360 SD MET A 96 -14.464 -23.296 -5.044 1.00 0.00 S ATOM 1361 CE MET A 96 -15.711 -22.454 -4.084 1.00 0.00 C ATOM 0 H MET A 96 -10.860 -21.643 -3.761 1.00 0.00 H new ATOM 0 HA MET A 96 -10.300 -23.253 -6.046 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.108 -24.633 -5.154 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.133 -24.069 -3.811 1.00 0.00 H new ATOM 0 HG2 MET A 96 -13.267 -23.584 -2.998 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.878 -22.055 -3.761 1.00 0.00 H new ATOM 0 HE1 MET A 96 -16.543 -22.177 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 96 -16.070 -23.114 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.283 -21.556 -3.639 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.824 -21.182 -6.163 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.809 -20.576 -7.043 1.00 0.00 C ATOM 1371 C CYS A 97 -13.066 -19.886 -8.190 1.00 0.00 C ATOM 1372 O CYS A 97 -13.058 -20.383 -9.316 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.720 -19.607 -6.289 1.00 0.00 C ATOM 1374 SG CYS A 97 -16.250 -19.310 -7.250 1.00 0.00 S ATOM 0 H CYS A 97 -12.742 -20.741 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.465 -21.347 -7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.969 -20.016 -5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.200 -18.665 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 97 -17.260 -19.853 -6.637 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.462 -18.753 -7.865 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.719 -17.990 -8.854 1.00 0.00 C ATOM 1381 C GLY A 98 -11.315 -16.622 -8.301 1.00 0.00 C ATOM 1382 O GLY A 98 -11.153 -16.461 -7.092 1.00 0.00 O ATOM 0 H GLY A 98 -12.472 -18.344 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.828 -18.543 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.327 -17.859 -9.749 1.00 0.00 H new ATOM 1386 N LEU A 99 -11.164 -15.673 -9.212 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.782 -14.323 -8.832 1.00 0.00 C ATOM 1388 C LEU A 99 -12.040 -13.511 -8.520 1.00 0.00 C ATOM 1389 O LEU A 99 -13.098 -14.078 -8.250 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.894 -13.695 -9.906 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.489 -13.285 -9.461 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.937 -14.261 -8.420 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -7.552 -13.140 -10.662 1.00 0.00 C ATOM 0 H LEU A 99 -11.299 -15.812 -10.213 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.179 -14.339 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.800 -14.402 -10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.401 -12.813 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.555 -12.307 -8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.937 -13.947 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.591 -14.271 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.889 -15.262 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.560 -12.848 -10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.487 -14.092 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.941 -12.377 -11.337 1.00 0.00 H new ATOM 1404 N SER A 100 -11.883 -12.196 -8.569 1.00 0.00 N ATOM 1405 CA SER A 100 -12.994 -11.300 -8.295 1.00 0.00 C ATOM 1406 C SER A 100 -13.314 -10.468 -9.539 1.00 0.00 C ATOM 1407 O SER A 100 -12.422 -10.149 -10.323 1.00 0.00 O ATOM 1408 CB SER A 100 -12.684 -10.384 -7.109 1.00 0.00 C ATOM 1409 OG SER A 100 -11.431 -9.722 -7.259 1.00 0.00 O ATOM 0 H SER A 100 -11.004 -11.730 -8.794 1.00 0.00 H new ATOM 0 HA SER A 100 -13.864 -11.903 -8.035 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.476 -9.642 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.677 -10.970 -6.190 1.00 0.00 H new ATOM 0 HG SER A 100 -11.567 -8.752 -7.225 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.589 -10.139 -9.679 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.038 -9.350 -10.815 1.00 0.00 C ATOM 1416 C GLU A 101 -14.283 -8.020 -10.867 1.00 0.00 C ATOM 1417 O GLU A 101 -14.057 -7.474 -11.946 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.549 -9.121 -10.760 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.244 -9.752 -11.969 1.00 0.00 C ATOM 1420 CD GLU A 101 -17.806 -8.677 -12.901 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -17.007 -8.145 -13.702 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -19.023 -8.410 -12.791 1.00 0.00 O ATOM 0 H GLU A 101 -15.326 -10.404 -9.025 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.821 -9.905 -11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.952 -9.547 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.758 -8.051 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.537 -10.377 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.050 -10.403 -11.631 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.916 -7.537 -9.690 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.191 -6.281 -9.588 1.00 0.00 C ATOM 1429 C ASP A 102 -12.043 -6.439 -8.590 1.00 0.00 C ATOM 1430 O ASP A 102 -11.943 -7.459 -7.910 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.102 -5.160 -9.087 1.00 0.00 C ATOM 1432 CG ASP A 102 -13.462 -3.770 -9.059 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -12.928 -3.370 -10.116 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -13.520 -3.140 -7.981 1.00 0.00 O ATOM 0 H ASP A 102 -14.107 -7.993 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.816 -6.026 -10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.989 -5.123 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.439 -5.409 -8.081 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.205 -5.415 -8.533 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.068 -5.427 -7.630 1.00 0.00 C ATOM 1440 C ALA A 103 -10.023 -4.107 -6.857 1.00 0.00 C ATOM 1441 O ALA A 103 -10.492 -3.081 -7.345 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.785 -5.681 -8.426 1.00 0.00 C ATOM 0 H ALA A 103 -11.291 -4.570 -9.098 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.164 -6.233 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.932 -5.690 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.856 -6.643 -8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.653 -4.891 -9.165 1.00 0.00 H new ATOM 1448 N THR A 104 -9.453 -4.179 -5.662 1.00 0.00 N ATOM 1449 CA THR A 104 -9.339 -3.002 -4.817 1.00 0.00 C ATOM 1450 C THR A 104 -8.055 -2.236 -5.136 1.00 0.00 C ATOM 1451 O THR A 104 -6.972 -2.620 -4.696 1.00 0.00 O ATOM 1452 CB THR A 104 -9.429 -3.458 -3.359 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.816 -3.715 -3.159 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.112 -2.331 -2.373 1.00 0.00 C ATOM 0 H THR A 104 -9.066 -5.033 -5.260 1.00 0.00 H new ATOM 0 HA THR A 104 -10.152 -2.300 -5.005 1.00 0.00 H new ATOM 0 HB THR A 104 -8.741 -4.288 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.932 -4.289 -2.373 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.190 -2.707 -1.353 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.100 -1.967 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.820 -1.515 -2.514 1.00 0.00 H new ATOM 1462 N MET A 105 -8.216 -1.167 -5.901 1.00 0.00 N ATOM 1463 CA MET A 105 -7.082 -0.343 -6.286 1.00 0.00 C ATOM 1464 C MET A 105 -6.738 0.664 -5.186 1.00 0.00 C ATOM 1465 O MET A 105 -7.628 1.185 -4.516 1.00 0.00 O ATOM 1466 CB MET A 105 -7.409 0.405 -7.579 1.00 0.00 C ATOM 1467 CG MET A 105 -6.177 1.138 -8.115 1.00 0.00 C ATOM 1468 SD MET A 105 -6.646 2.746 -8.733 1.00 0.00 S ATOM 1469 CE MET A 105 -6.613 2.424 -10.489 1.00 0.00 C ATOM 0 H MET A 105 -9.115 -0.852 -6.265 1.00 0.00 H new ATOM 0 HA MET A 105 -6.221 -0.993 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.773 -0.298 -8.328 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.211 1.120 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.435 1.245 -7.324 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.713 0.554 -8.910 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.457 3.359 -11.027 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.801 1.734 -10.717 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.561 1.982 -10.796 1.00 0.00 H new ATOM 1477 N THR A 106 -5.444 0.908 -5.036 1.00 0.00 N ATOM 1478 CA THR A 106 -4.972 1.843 -4.029 1.00 0.00 C ATOM 1479 C THR A 106 -5.719 3.174 -4.144 1.00 0.00 C ATOM 1480 O THR A 106 -5.753 3.781 -5.213 1.00 0.00 O ATOM 1481 CB THR A 106 -3.456 1.983 -4.187 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.287 2.424 -5.532 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.737 0.634 -4.144 1.00 0.00 C ATOM 0 H THR A 106 -4.709 0.475 -5.595 1.00 0.00 H new ATOM 0 HA THR A 106 -5.177 1.476 -3.023 1.00 0.00 H new ATOM 0 HB THR A 106 -3.066 2.627 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.755 3.247 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.664 0.789 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.932 0.148 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.102 0.001 -4.953 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.302 3.587 -3.028 1.00 0.00 N ATOM 1492 CA LYS A 107 -7.047 4.833 -2.990 1.00 0.00 C ATOM 1493 C LYS A 107 -6.296 5.897 -3.794 1.00 0.00 C ATOM 1494 O LYS A 107 -6.909 6.800 -4.361 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.333 5.243 -1.545 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.829 5.154 -1.234 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.498 6.524 -1.362 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.347 6.837 -0.129 1.00 0.00 C ATOM 1499 NZ LYS A 107 -9.707 7.894 0.686 1.00 0.00 N ATOM 0 H LYS A 107 -6.273 3.080 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.022 4.707 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.778 4.598 -0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.983 6.261 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.304 4.448 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.972 4.768 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.737 7.294 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.124 6.545 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.342 7.159 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.475 5.935 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.296 8.095 1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.768 7.573 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.607 8.759 0.117 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.979 5.754 -3.817 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.137 6.691 -4.541 1.00 0.00 C ATOM 1511 C GLU A 108 -3.020 5.944 -5.275 1.00 0.00 C ATOM 1512 O GLU A 108 -2.808 4.754 -5.043 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.561 7.751 -3.601 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.619 8.795 -3.238 1.00 0.00 C ATOM 1515 CD GLU A 108 -4.083 9.782 -2.200 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -4.252 9.487 -0.996 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -3.515 10.808 -2.632 1.00 0.00 O ATOM 0 H GLU A 108 -4.474 5.003 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.752 7.204 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.189 7.274 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.710 8.240 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.925 9.335 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.507 8.298 -2.847 1.00 0.00 H new ATOM 1522 N SER A 109 -2.337 6.673 -6.144 1.00 0.00 N ATOM 1523 CA SER A 109 -1.247 6.095 -6.912 1.00 0.00 C ATOM 1524 C SER A 109 0.075 6.277 -6.164 1.00 0.00 C ATOM 1525 O SER A 109 0.131 6.980 -5.158 1.00 0.00 O ATOM 1526 CB SER A 109 -1.160 6.723 -8.305 1.00 0.00 C ATOM 1527 OG SER A 109 -0.508 7.990 -8.278 1.00 0.00 O ATOM 0 H SER A 109 -2.517 7.659 -6.334 1.00 0.00 H new ATOM 0 HA SER A 109 -1.443 5.030 -7.035 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.620 6.051 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.164 6.840 -8.714 1.00 0.00 H new ATOM 0 HG SER A 109 -0.862 8.556 -8.996 1.00 0.00 H new ATOM 1532 N ALA A 110 1.107 5.630 -6.686 1.00 0.00 N ATOM 1533 CA ALA A 110 2.426 5.712 -6.080 1.00 0.00 C ATOM 1534 C ALA A 110 3.354 6.511 -6.996 1.00 0.00 C ATOM 1535 O ALA A 110 3.562 6.142 -8.151 1.00 0.00 O ATOM 1536 CB ALA A 110 2.950 4.300 -5.805 1.00 0.00 C ATOM 0 H ALA A 110 1.057 5.047 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 110 2.378 6.234 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.939 4.361 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.270 3.785 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.015 3.747 -6.742 1.00 0.00 H new ATOM 1542 N VAL A 111 3.888 7.591 -6.446 1.00 0.00 N ATOM 1543 CA VAL A 111 4.791 8.446 -7.200 1.00 0.00 C ATOM 1544 C VAL A 111 6.218 7.911 -7.074 1.00 0.00 C ATOM 1545 O VAL A 111 6.808 7.952 -5.995 1.00 0.00 O ATOM 1546 CB VAL A 111 4.652 9.896 -6.730 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.651 10.803 -7.451 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.220 10.399 -6.918 1.00 0.00 C ATOM 0 H VAL A 111 3.713 7.894 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 111 4.533 8.435 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 111 4.880 9.926 -5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.532 11.828 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.666 10.464 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.468 10.764 -8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.149 11.432 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.952 10.347 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.537 9.777 -6.339 1.00 0.00 H new ATOM 1558 N ILE A 112 6.732 7.419 -8.192 1.00 0.00 N ATOM 1559 CA ILE A 112 8.080 6.876 -8.220 1.00 0.00 C ATOM 1560 C ILE A 112 9.087 8.012 -8.030 1.00 0.00 C ATOM 1561 O ILE A 112 8.897 9.109 -8.553 1.00 0.00 O ATOM 1562 CB ILE A 112 8.303 6.064 -9.497 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.194 5.025 -9.688 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.693 5.426 -9.505 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.021 4.173 -8.430 1.00 0.00 C ATOM 0 H ILE A 112 6.240 7.385 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 112 8.227 6.178 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 112 8.256 6.745 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.256 5.528 -9.923 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.433 4.384 -10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.826 4.854 -10.424 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.452 6.206 -9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.793 4.762 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.228 3.443 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.954 3.653 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.758 4.815 -7.589 1.00 0.00 H new ATOM 1576 N ALA A 113 10.137 7.710 -7.281 1.00 0.00 N ATOM 1577 CA ALA A 113 11.174 8.691 -7.016 1.00 0.00 C ATOM 1578 C ALA A 113 12.430 7.976 -6.510 1.00 0.00 C ATOM 1579 O ALA A 113 12.353 6.849 -6.025 1.00 0.00 O ATOM 1580 CB ALA A 113 10.653 9.729 -6.019 1.00 0.00 C ATOM 0 H ALA A 113 10.292 6.799 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 113 11.442 9.222 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.432 10.465 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.779 10.229 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.377 9.233 -5.089 1.00 0.00 H new ATOM 1586 N ARG A 114 13.556 8.663 -6.640 1.00 0.00 N ATOM 1587 CA ARG A 114 14.825 8.107 -6.203 1.00 0.00 C ATOM 1588 C ARG A 114 15.087 8.470 -4.740 1.00 0.00 C ATOM 1589 O ARG A 114 16.204 8.835 -4.378 1.00 0.00 O ATOM 1590 CB ARG A 114 15.979 8.626 -7.064 1.00 0.00 C ATOM 1591 CG ARG A 114 16.869 7.476 -7.540 1.00 0.00 C ATOM 1592 CD ARG A 114 18.255 7.554 -6.899 1.00 0.00 C ATOM 1593 NE ARG A 114 18.983 6.283 -7.112 1.00 0.00 N ATOM 1594 CZ ARG A 114 20.318 6.171 -7.090 1.00 0.00 C ATOM 1595 NH1 ARG A 114 21.079 7.250 -6.865 1.00 0.00 N ATOM 1596 NH2 ARG A 114 20.893 4.977 -7.293 1.00 0.00 N ATOM 0 H ARG A 114 13.615 9.599 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 114 14.767 7.024 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 114 15.582 9.163 -7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 114 16.574 9.337 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 114 16.402 6.523 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 114 16.964 7.510 -8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.818 8.382 -7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 114 18.160 7.754 -5.832 1.00 0.00 H new ATOM 0 HE ARG A 114 18.435 5.441 -7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 114 20.642 8.159 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 114 22.095 7.163 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 114 20.314 4.155 -7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.909 4.891 -7.276 1.00 0.00 H new ATOM 1607 N ASP A 115 14.038 8.355 -3.939 1.00 0.00 N ATOM 1608 CA ASP A 115 14.140 8.665 -2.523 1.00 0.00 C ATOM 1609 C ASP A 115 13.059 7.900 -1.759 1.00 0.00 C ATOM 1610 O ASP A 115 12.017 7.562 -2.320 1.00 0.00 O ATOM 1611 CB ASP A 115 13.931 10.160 -2.271 1.00 0.00 C ATOM 1612 CG ASP A 115 15.150 10.899 -1.717 1.00 0.00 C ATOM 1613 OD1 ASP A 115 16.192 10.229 -1.547 1.00 0.00 O ATOM 1614 OD2 ASP A 115 15.014 12.118 -1.477 1.00 0.00 O ATOM 0 H ASP A 115 13.113 8.051 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 115 15.136 8.378 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.633 10.633 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.102 10.283 -1.574 1.00 0.00 H new ATOM 1618 N GLY A 116 13.341 7.650 -0.489 1.00 0.00 N ATOM 1619 CA GLY A 116 12.406 6.930 0.359 1.00 0.00 C ATOM 1620 C GLY A 116 12.536 7.373 1.818 1.00 0.00 C ATOM 1621 O GLY A 116 11.699 8.122 2.320 1.00 0.00 O ATOM 0 H GLY A 116 14.205 7.933 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.387 7.103 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.591 5.859 0.283 1.00 0.00 H new ATOM 1625 N LYS A 117 13.591 6.892 2.457 1.00 0.00 N ATOM 1626 CA LYS A 117 13.842 7.228 3.848 1.00 0.00 C ATOM 1627 C LYS A 117 12.858 6.465 4.738 1.00 0.00 C ATOM 1628 O LYS A 117 12.101 5.626 4.254 1.00 0.00 O ATOM 1629 CB LYS A 117 13.803 8.745 4.048 1.00 0.00 C ATOM 1630 CG LYS A 117 15.199 9.293 4.354 1.00 0.00 C ATOM 1631 CD LYS A 117 15.361 9.577 5.849 1.00 0.00 C ATOM 1632 CE LYS A 117 14.550 10.805 6.265 1.00 0.00 C ATOM 1633 NZ LYS A 117 14.888 11.206 7.648 1.00 0.00 N ATOM 0 H LYS A 117 14.283 6.271 2.037 1.00 0.00 H new ATOM 0 HA LYS A 117 14.845 6.916 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 117 13.409 9.224 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 117 13.125 8.991 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 117 15.954 8.575 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 117 15.367 10.208 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.036 8.710 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 117 16.414 9.737 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.752 11.630 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.485 10.586 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.328 12.041 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.673 10.424 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.901 11.436 7.705 1.00 0.00 H new ATOM 1643 N ILE A 118 12.901 6.786 6.023 1.00 0.00 N ATOM 1644 CA ILE A 118 12.023 6.141 6.985 1.00 0.00 C ATOM 1645 C ILE A 118 10.940 7.130 7.422 1.00 0.00 C ATOM 1646 O ILE A 118 11.155 7.931 8.330 1.00 0.00 O ATOM 1647 CB ILE A 118 12.833 5.564 8.147 1.00 0.00 C ATOM 1648 CG1 ILE A 118 13.771 4.456 7.665 1.00 0.00 C ATOM 1649 CG2 ILE A 118 11.912 5.086 9.272 1.00 0.00 C ATOM 1650 CD1 ILE A 118 15.159 4.602 8.292 1.00 0.00 C ATOM 0 H ILE A 118 13.530 7.484 6.420 1.00 0.00 H new ATOM 0 HA ILE A 118 11.515 5.292 6.528 1.00 0.00 H new ATOM 0 HB ILE A 118 13.457 6.358 8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.352 3.483 7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.853 4.491 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 118 12.512 4.680 10.086 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.321 5.925 9.640 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.245 4.312 8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.806 3.802 7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 118 15.585 5.566 8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.076 4.542 9.377 1.00 0.00 H new ATOM 1661 N TYR A 119 9.799 7.041 6.754 1.00 0.00 N ATOM 1662 CA TYR A 119 8.681 7.918 7.061 1.00 0.00 C ATOM 1663 C TYR A 119 7.615 7.181 7.876 1.00 0.00 C ATOM 1664 O TYR A 119 6.472 7.629 7.957 1.00 0.00 O ATOM 1665 CB TYR A 119 8.084 8.327 5.714 1.00 0.00 C ATOM 1666 CG TYR A 119 7.975 9.841 5.515 1.00 0.00 C ATOM 1667 CD1 TYR A 119 9.115 10.619 5.510 1.00 0.00 C ATOM 1668 CD2 TYR A 119 6.738 10.427 5.342 1.00 0.00 C ATOM 1669 CE1 TYR A 119 9.013 12.043 5.324 1.00 0.00 C ATOM 1670 CE2 TYR A 119 6.636 11.852 5.156 1.00 0.00 C ATOM 1671 CZ TYR A 119 7.779 12.589 5.156 1.00 0.00 C ATOM 1672 OH TYR A 119 7.683 13.935 4.980 1.00 0.00 O ATOM 0 H TYR A 119 9.624 6.375 6.001 1.00 0.00 H new ATOM 0 HA TYR A 119 9.014 8.774 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 119 8.696 7.909 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.092 7.886 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 119 10.083 10.160 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 119 5.846 9.818 5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 119 9.897 12.664 5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 119 5.674 12.324 5.020 1.00 0.00 H new ATOM 0 HH TYR A 119 6.741 14.184 4.872 1.00 0.00 H new ATOM 1681 N LYS A 120 8.027 6.065 8.458 1.00 0.00 N ATOM 1682 CA LYS A 120 7.122 5.263 9.263 1.00 0.00 C ATOM 1683 C LYS A 120 6.464 6.151 10.322 1.00 0.00 C ATOM 1684 O LYS A 120 5.328 5.906 10.723 1.00 0.00 O ATOM 1685 CB LYS A 120 7.853 4.051 9.845 1.00 0.00 C ATOM 1686 CG LYS A 120 8.674 4.444 11.075 1.00 0.00 C ATOM 1687 CD LYS A 120 8.048 3.883 12.354 1.00 0.00 C ATOM 1688 CE LYS A 120 8.022 4.940 13.460 1.00 0.00 C ATOM 1689 NZ LYS A 120 7.669 4.323 14.758 1.00 0.00 N ATOM 0 H LYS A 120 8.976 5.697 8.388 1.00 0.00 H new ATOM 0 HA LYS A 120 6.321 4.857 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 120 7.130 3.282 10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.509 3.620 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.693 4.071 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 120 8.737 5.530 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.033 3.542 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.614 3.014 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.997 5.423 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.299 5.717 13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.656 5.054 15.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.729 3.883 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.374 3.598 15.001 1.00 0.00 H new TER 1699 LYS A 120