USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 836 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 108 SER OG : rot -89:sc= 0.102 USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0.1 X(o=0.2,f=0) USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 GLN : amide:sc= -5.16 K(o=-5.2,f=-9!) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.00896 (180deg=0) USER MOD Single : A 2 SER OG : rot -61:sc= -0.0755 USER MOD Single : A 3 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.025) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.369 (180deg=-0.773) USER MOD Single : A 14 CYS SG : rot 102:sc= -2.91! USER MOD Single : A 15 CYS SG : rot 37:sc= 0.0306 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.023) USER MOD Single : A 30 MET CE :methyl -120:sc= -1.7 (180deg=-6.11!) USER MOD Single : A 32 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.16) USER MOD Single : A 34 CYS SG : rot -42:sc= -4.75! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -140:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 66 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.4!) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.379 F(o=-0.94,f=-0.38) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 150:sc= -0.52 (180deg=-1.78!) USER MOD Single : A 75 CYS SG : rot -59:sc= -1.73 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 88 SER OG : rot 74:sc= 1.2 USER MOD Single : A 92 TYR OH : rot 18:sc= 0.18 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 CYS SG : rot 81:sc= 0.0014 USER MOD Single : A 95 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.1!) USER MOD Single : A 99 THR OG1 : rot 17:sc= -1.02 USER MOD Single : A 100 TYR OH : rot 174:sc= 1.24 USER MOD Single : A 104 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.3!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=-0.4) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.428 -24.862 -2.838 1.00 0.00 N ATOM 2 CA GLY A 1 -13.691 -24.496 -2.138 1.00 0.00 C ATOM 3 C GLY A 1 -14.894 -25.236 -2.687 1.00 0.00 C ATOM 4 O GLY A 1 -14.786 -26.391 -3.103 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.694 -25.087 -2.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.594 -25.692 -3.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.112 -24.064 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.589 -24.713 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.856 -23.422 -2.230 1.00 0.00 H new ATOM 10 N SER A 2 -16.045 -24.571 -2.692 1.00 0.00 N ATOM 11 CA SER A 2 -17.275 -25.171 -3.196 1.00 0.00 C ATOM 12 C SER A 2 -17.824 -24.377 -4.376 1.00 0.00 C ATOM 13 O SER A 2 -17.883 -24.875 -5.500 1.00 0.00 O ATOM 14 CB SER A 2 -18.324 -25.246 -2.084 1.00 0.00 C ATOM 15 OG SER A 2 -18.770 -23.952 -1.716 1.00 0.00 O ATOM 0 H SER A 2 -16.151 -23.615 -2.352 1.00 0.00 H new ATOM 0 HA SER A 2 -17.044 -26.180 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.171 -25.845 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.902 -25.750 -1.214 1.00 0.00 H new ATOM 0 HG SER A 2 -18.013 -23.429 -1.378 1.00 0.00 H new ATOM 21 N GLN A 3 -18.223 -23.135 -4.113 1.00 0.00 N ATOM 22 CA GLN A 3 -18.766 -22.269 -5.154 1.00 0.00 C ATOM 23 C GLN A 3 -18.002 -20.950 -5.218 1.00 0.00 C ATOM 24 O GLN A 3 -18.546 -19.927 -5.633 1.00 0.00 O ATOM 25 CB GLN A 3 -20.250 -22.001 -4.901 1.00 0.00 C ATOM 26 CG GLN A 3 -21.160 -23.123 -5.375 1.00 0.00 C ATOM 27 CD GLN A 3 -22.600 -22.675 -5.540 1.00 0.00 C ATOM 28 OE1 GLN A 3 -23.515 -23.268 -4.971 1.00 0.00 O ATOM 29 NE2 GLN A 3 -22.805 -21.623 -6.323 1.00 0.00 N ATOM 0 H GLN A 3 -18.180 -22.707 -3.188 1.00 0.00 H new ATOM 0 HA GLN A 3 -18.654 -22.779 -6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -20.406 -21.845 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -20.535 -21.077 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -20.792 -23.507 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -21.119 -23.946 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -22.015 -21.162 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -23.752 -21.276 -6.473 1.00 0.00 H new ATOM 38 N ASP A 4 -16.739 -20.980 -4.805 1.00 0.00 N ATOM 39 CA ASP A 4 -15.901 -19.787 -4.816 1.00 0.00 C ATOM 40 C ASP A 4 -14.444 -20.149 -5.082 1.00 0.00 C ATOM 41 O ASP A 4 -14.096 -21.327 -5.180 1.00 0.00 O ATOM 42 CB ASP A 4 -16.020 -19.041 -3.486 1.00 0.00 C ATOM 43 CG ASP A 4 -17.425 -18.534 -3.230 1.00 0.00 C ATOM 44 OD1 ASP A 4 -18.326 -19.368 -3.005 1.00 0.00 O ATOM 45 OD2 ASP A 4 -17.624 -17.300 -3.256 1.00 0.00 O ATOM 0 H ASP A 4 -16.273 -21.819 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.248 -19.137 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.722 -19.704 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.327 -18.200 -3.481 1.00 0.00 H new ATOM 50 N ARG A 5 -13.596 -19.133 -5.196 1.00 0.00 N ATOM 51 CA ARG A 5 -12.177 -19.348 -5.450 1.00 0.00 C ATOM 52 C ARG A 5 -11.370 -18.098 -5.125 1.00 0.00 C ATOM 53 O ARG A 5 -10.513 -18.108 -4.241 1.00 0.00 O ATOM 54 CB ARG A 5 -11.953 -19.751 -6.908 1.00 0.00 C ATOM 55 CG ARG A 5 -10.846 -20.775 -7.093 1.00 0.00 C ATOM 56 CD ARG A 5 -10.242 -20.703 -8.488 1.00 0.00 C ATOM 57 NE ARG A 5 -10.340 -21.978 -9.193 1.00 0.00 N ATOM 58 CZ ARG A 5 -11.469 -22.455 -9.713 1.00 0.00 C ATOM 59 NH1 ARG A 5 -12.598 -21.765 -9.608 1.00 0.00 N ATOM 60 NH2 ARG A 5 -11.469 -23.624 -10.337 1.00 0.00 N ATOM 0 H ARG A 5 -13.867 -18.153 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.836 -20.155 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.881 -20.155 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.714 -18.861 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.067 -20.607 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.242 -21.775 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.751 -19.930 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.195 -20.409 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.493 -22.537 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.603 -20.865 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.461 -22.134 -10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.604 -24.158 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.334 -23.989 -10.735 1.00 0.00 H new ATOM 74 N LYS A 6 -11.652 -17.023 -5.848 1.00 0.00 N ATOM 75 CA LYS A 6 -10.956 -15.756 -5.645 1.00 0.00 C ATOM 76 C LYS A 6 -9.473 -15.897 -5.979 1.00 0.00 C ATOM 77 O LYS A 6 -8.828 -16.866 -5.581 1.00 0.00 O ATOM 78 CB LYS A 6 -11.129 -15.272 -4.200 1.00 0.00 C ATOM 79 CG LYS A 6 -12.512 -15.531 -3.619 1.00 0.00 C ATOM 80 CD LYS A 6 -13.399 -14.301 -3.733 1.00 0.00 C ATOM 81 CE LYS A 6 -14.408 -14.236 -2.597 1.00 0.00 C ATOM 82 NZ LYS A 6 -13.984 -13.286 -1.531 1.00 0.00 N ATOM 0 H LYS A 6 -12.359 -17.001 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.394 -15.016 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.385 -15.763 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.924 -14.202 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.977 -16.367 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.421 -15.820 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.781 -13.403 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.925 -14.317 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.378 -13.931 -2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.536 -15.230 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.801 -13.049 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.243 -13.726 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.612 -12.418 -1.967 1.00 0.00 H new ATOM 96 N ILE A 7 -8.939 -14.928 -6.720 1.00 0.00 N ATOM 97 CA ILE A 7 -7.532 -14.954 -7.112 1.00 0.00 C ATOM 98 C ILE A 7 -6.617 -14.559 -5.957 1.00 0.00 C ATOM 99 O ILE A 7 -5.430 -14.883 -5.957 1.00 0.00 O ATOM 100 CB ILE A 7 -7.255 -14.022 -8.309 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.933 -12.666 -8.107 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.726 -14.666 -9.603 1.00 0.00 C ATOM 103 CD1 ILE A 7 -7.302 -11.549 -8.909 1.00 0.00 C ATOM 0 H ILE A 7 -9.457 -14.118 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.318 -15.982 -7.403 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.179 -13.859 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.984 -12.750 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.900 -12.406 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.523 -13.995 -10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.196 -15.606 -9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.797 -14.859 -9.545 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.834 -10.617 -8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.258 -11.437 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.359 -11.787 -9.971 1.00 0.00 H new ATOM 115 N PHE A 8 -7.171 -13.860 -4.972 1.00 0.00 N ATOM 116 CA PHE A 8 -6.397 -13.429 -3.814 1.00 0.00 C ATOM 117 C PHE A 8 -6.520 -14.442 -2.678 1.00 0.00 C ATOM 118 O PHE A 8 -5.516 -14.855 -2.096 1.00 0.00 O ATOM 119 CB PHE A 8 -6.861 -12.042 -3.355 1.00 0.00 C ATOM 120 CG PHE A 8 -6.434 -10.916 -4.266 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.321 -11.040 -5.090 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.147 -9.727 -4.296 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.934 -10.005 -5.920 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.764 -8.690 -5.125 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.657 -8.829 -5.937 1.00 0.00 C ATOM 0 H PHE A 8 -8.152 -13.580 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.347 -13.367 -4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.948 -12.041 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.472 -11.853 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.751 -11.957 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.014 -9.610 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.067 -10.116 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.331 -7.771 -5.137 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.357 -8.019 -6.585 1.00 0.00 H new ATOM 135 N ARG A 9 -7.752 -14.851 -2.373 1.00 0.00 N ATOM 136 CA ARG A 9 -8.004 -15.827 -1.314 1.00 0.00 C ATOM 137 C ARG A 9 -7.201 -15.499 -0.062 1.00 0.00 C ATOM 138 O ARG A 9 -6.050 -15.915 0.078 1.00 0.00 O ATOM 139 CB ARG A 9 -7.661 -17.237 -1.799 1.00 0.00 C ATOM 140 CG ARG A 9 -7.921 -18.319 -0.764 1.00 0.00 C ATOM 141 CD ARG A 9 -7.185 -19.605 -1.103 1.00 0.00 C ATOM 142 NE ARG A 9 -6.605 -20.233 0.081 1.00 0.00 N ATOM 143 CZ ARG A 9 -5.639 -21.147 0.039 1.00 0.00 C ATOM 144 NH1 ARG A 9 -5.140 -21.542 -1.127 1.00 0.00 N ATOM 145 NH2 ARG A 9 -5.168 -21.668 1.163 1.00 0.00 N ATOM 0 H ARG A 9 -8.593 -14.520 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.064 -15.783 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.243 -17.455 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.610 -17.267 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.606 -17.967 0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.991 -18.516 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.874 -20.301 -1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.395 -19.391 -1.823 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.962 -19.954 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.497 -21.144 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.400 -22.243 -1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.546 -21.368 2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.427 -22.369 1.129 1.00 0.00 H new ATOM 159 N GLY A 10 -7.808 -14.738 0.838 1.00 0.00 N ATOM 160 CA GLY A 10 -7.123 -14.354 2.057 1.00 0.00 C ATOM 161 C GLY A 10 -6.028 -13.352 1.776 1.00 0.00 C ATOM 162 O GLY A 10 -4.849 -13.703 1.722 1.00 0.00 O ATOM 0 H GLY A 10 -8.759 -14.380 0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.838 -13.927 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.698 -15.238 2.532 1.00 0.00 H new ATOM 166 N LEU A 11 -6.424 -12.105 1.568 1.00 0.00 N ATOM 167 CA LEU A 11 -5.478 -11.043 1.260 1.00 0.00 C ATOM 168 C LEU A 11 -5.909 -9.722 1.895 1.00 0.00 C ATOM 169 O LEU A 11 -7.079 -9.536 2.227 1.00 0.00 O ATOM 170 CB LEU A 11 -5.370 -10.892 -0.259 1.00 0.00 C ATOM 171 CG LEU A 11 -3.984 -10.536 -0.790 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.829 -11.012 -2.227 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.751 -9.038 -0.692 1.00 0.00 C ATOM 0 H LEU A 11 -7.398 -11.803 1.607 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.504 -11.307 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.688 -11.826 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.071 -10.122 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.235 -11.041 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.836 -10.751 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.958 -12.094 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.582 -10.533 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.759 -8.798 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.503 -8.513 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.824 -8.726 0.350 1.00 0.00 H new ATOM 185 N GLU A 12 -4.955 -8.812 2.065 1.00 0.00 N ATOM 186 CA GLU A 12 -5.232 -7.510 2.663 1.00 0.00 C ATOM 187 C GLU A 12 -4.522 -6.398 1.894 1.00 0.00 C ATOM 188 O GLU A 12 -3.295 -6.325 1.885 1.00 0.00 O ATOM 189 CB GLU A 12 -4.788 -7.500 4.128 1.00 0.00 C ATOM 190 CG GLU A 12 -5.929 -7.721 5.108 1.00 0.00 C ATOM 191 CD GLU A 12 -5.564 -8.684 6.220 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.808 -8.281 7.129 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.036 -9.839 6.184 1.00 0.00 O ATOM 0 H GLU A 12 -3.981 -8.953 1.796 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.306 -7.331 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.036 -8.275 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.310 -6.546 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.221 -6.765 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.796 -8.105 4.570 1.00 0.00 H new ATOM 200 N ILE A 13 -5.301 -5.535 1.246 1.00 0.00 N ATOM 201 CA ILE A 13 -4.737 -4.432 0.474 1.00 0.00 C ATOM 202 C ILE A 13 -5.345 -3.096 0.885 1.00 0.00 C ATOM 203 O ILE A 13 -6.566 -2.946 0.935 1.00 0.00 O ATOM 204 CB ILE A 13 -4.960 -4.630 -1.037 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.572 -6.049 -1.456 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.165 -3.603 -1.829 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.679 -6.783 -2.180 1.00 0.00 C ATOM 0 H ILE A 13 -6.320 -5.578 1.240 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.667 -4.423 0.684 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.019 -4.487 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.694 -6.003 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.288 -6.617 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.333 -3.756 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.488 -2.600 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.103 -3.716 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.338 -7.783 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.550 -6.860 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.948 -6.236 -3.084 1.00 0.00 H new ATOM 219 N CYS A 14 -4.485 -2.125 1.175 1.00 0.00 N ATOM 220 CA CYS A 14 -4.937 -0.799 1.577 1.00 0.00 C ATOM 221 C CYS A 14 -4.520 0.255 0.559 1.00 0.00 C ATOM 222 O CYS A 14 -3.361 0.314 0.146 1.00 0.00 O ATOM 223 CB CYS A 14 -4.376 -0.442 2.953 1.00 0.00 C ATOM 224 SG CYS A 14 -2.571 -0.446 3.040 1.00 0.00 S ATOM 0 H CYS A 14 -3.471 -2.232 1.139 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.026 -0.817 1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.740 0.545 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.766 -1.148 3.686 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.132 0.777 2.997 1.00 0.00 H new ATOM 230 N CYS A 15 -5.473 1.091 0.162 1.00 0.00 N ATOM 231 CA CYS A 15 -5.209 2.151 -0.803 1.00 0.00 C ATOM 232 C CYS A 15 -4.948 3.472 -0.088 1.00 0.00 C ATOM 233 O CYS A 15 -5.867 4.097 0.440 1.00 0.00 O ATOM 234 CB CYS A 15 -6.388 2.297 -1.768 1.00 0.00 C ATOM 235 SG CYS A 15 -7.966 2.654 -0.960 1.00 0.00 S ATOM 0 H CYS A 15 -6.437 1.055 0.494 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.320 1.884 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.167 3.095 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.487 1.377 -2.344 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.766 3.443 0.053 1.00 0.00 H new ATOM 241 N TYR A 16 -3.686 3.890 -0.069 1.00 0.00 N ATOM 242 CA TYR A 16 -3.305 5.134 0.589 1.00 0.00 C ATOM 243 C TYR A 16 -3.289 6.292 -0.403 1.00 0.00 C ATOM 244 O TYR A 16 -2.692 6.197 -1.476 1.00 0.00 O ATOM 245 CB TYR A 16 -1.930 4.987 1.246 1.00 0.00 C ATOM 246 CG TYR A 16 -1.880 5.498 2.667 1.00 0.00 C ATOM 247 CD1 TYR A 16 -2.895 5.203 3.569 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.817 6.275 3.108 1.00 0.00 C ATOM 249 CE1 TYR A 16 -2.852 5.667 4.870 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.766 6.743 4.408 1.00 0.00 C ATOM 251 CZ TYR A 16 -1.786 6.437 5.285 1.00 0.00 C ATOM 252 OH TYR A 16 -1.740 6.901 6.579 1.00 0.00 O ATOM 0 H TYR A 16 -2.911 3.386 -0.501 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.046 5.351 1.359 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.643 3.936 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.192 5.524 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.732 4.601 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.017 6.518 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.649 5.428 5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.069 7.345 4.735 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.923 7.426 6.709 1.00 0.00 H new ATOM 262 N GLY A 17 -3.950 7.386 -0.036 1.00 0.00 N ATOM 263 CA GLY A 17 -3.999 8.547 -0.903 1.00 0.00 C ATOM 264 C GLY A 17 -5.305 8.644 -1.670 1.00 0.00 C ATOM 265 O GLY A 17 -6.051 7.669 -1.751 1.00 0.00 O ATOM 0 H GLY A 17 -4.452 7.488 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.864 9.449 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.169 8.505 -1.608 1.00 0.00 H new ATOM 269 N PRO A 18 -5.611 9.819 -2.245 1.00 0.00 N ATOM 270 CA PRO A 18 -6.841 10.030 -3.008 1.00 0.00 C ATOM 271 C PRO A 18 -6.749 9.495 -4.435 1.00 0.00 C ATOM 272 O PRO A 18 -7.764 9.326 -5.109 1.00 0.00 O ATOM 273 CB PRO A 18 -6.976 11.550 -3.016 1.00 0.00 C ATOM 274 CG PRO A 18 -5.571 12.047 -2.988 1.00 0.00 C ATOM 275 CD PRO A 18 -4.780 11.038 -2.194 1.00 0.00 C ATOM 0 HA PRO A 18 -7.691 9.506 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.503 11.897 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.540 11.903 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.173 12.145 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.517 13.033 -2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.795 10.869 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.622 11.371 -1.168 1.00 0.00 H new ATOM 283 N PHE A 19 -5.524 9.235 -4.892 1.00 0.00 N ATOM 284 CA PHE A 19 -5.299 8.725 -6.240 1.00 0.00 C ATOM 285 C PHE A 19 -5.758 9.736 -7.287 1.00 0.00 C ATOM 286 O PHE A 19 -4.948 10.477 -7.845 1.00 0.00 O ATOM 287 CB PHE A 19 -6.023 7.390 -6.439 1.00 0.00 C ATOM 288 CG PHE A 19 -5.366 6.239 -5.732 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.148 6.285 -4.364 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.966 5.112 -6.433 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.543 5.230 -3.709 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.360 4.053 -5.782 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.149 4.113 -4.418 1.00 0.00 C ATOM 0 H PHE A 19 -4.673 9.370 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.228 8.563 -6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.049 7.486 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.074 7.169 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.455 7.156 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.129 5.060 -7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.378 5.279 -2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.052 3.180 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.676 3.287 -3.907 1.00 0.00 H new ATOM 303 N THR A 20 -7.060 9.762 -7.548 1.00 0.00 N ATOM 304 CA THR A 20 -7.627 10.683 -8.526 1.00 0.00 C ATOM 305 C THR A 20 -9.090 10.982 -8.209 1.00 0.00 C ATOM 306 O THR A 20 -9.415 12.038 -7.668 1.00 0.00 O ATOM 307 CB THR A 20 -7.503 10.104 -9.937 1.00 0.00 C ATOM 308 OG1 THR A 20 -7.485 8.688 -9.898 1.00 0.00 O ATOM 309 CG2 THR A 20 -6.256 10.559 -10.663 1.00 0.00 C ATOM 0 H THR A 20 -7.744 9.155 -7.095 1.00 0.00 H new ATOM 0 HA THR A 20 -7.067 11.617 -8.476 1.00 0.00 H new ATOM 0 HB THR A 20 -8.374 10.473 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.407 8.337 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.230 10.112 -11.657 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.264 11.645 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.375 10.248 -10.102 1.00 0.00 H new ATOM 317 N ASN A 21 -9.968 10.044 -8.551 1.00 0.00 N ATOM 318 CA ASN A 21 -11.396 10.206 -8.304 1.00 0.00 C ATOM 319 C ASN A 21 -12.152 8.919 -8.617 1.00 0.00 C ATOM 320 O ASN A 21 -13.139 8.927 -9.353 1.00 0.00 O ATOM 321 CB ASN A 21 -11.952 11.359 -9.143 1.00 0.00 C ATOM 322 CG ASN A 21 -13.215 11.950 -8.549 1.00 0.00 C ATOM 323 OD1 ASN A 21 -13.175 12.624 -7.520 1.00 0.00 O ATOM 324 ND2 ASN A 21 -14.347 11.697 -9.196 1.00 0.00 N ATOM 0 H ASN A 21 -9.715 9.164 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.534 10.437 -7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.195 12.139 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.160 11.003 -10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.230 12.067 -8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.334 11.133 -10.046 1.00 0.00 H new ATOM 331 N MET A 22 -11.682 7.812 -8.050 1.00 0.00 N ATOM 332 CA MET A 22 -12.311 6.513 -8.265 1.00 0.00 C ATOM 333 C MET A 22 -11.558 5.411 -7.521 1.00 0.00 C ATOM 334 O MET A 22 -12.160 4.627 -6.787 1.00 0.00 O ATOM 335 CB MET A 22 -12.374 6.187 -9.760 1.00 0.00 C ATOM 336 CG MET A 22 -13.701 5.590 -10.198 1.00 0.00 C ATOM 337 SD MET A 22 -13.962 5.710 -11.977 1.00 0.00 S ATOM 338 CE MET A 22 -14.710 7.332 -12.102 1.00 0.00 C ATOM 0 H MET A 22 -10.867 7.789 -7.437 1.00 0.00 H new ATOM 0 HA MET A 22 -13.326 6.563 -7.872 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.189 7.098 -10.330 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.573 5.490 -10.005 1.00 0.00 H new ATOM 0 HG2 MET A 22 -13.740 4.543 -9.899 1.00 0.00 H new ATOM 0 HG3 MET A 22 -14.513 6.100 -9.680 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.931 7.551 -13.147 1.00 0.00 H new ATOM 0 HE2 MET A 22 -15.634 7.352 -11.524 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.021 8.081 -11.712 1.00 0.00 H new ATOM 348 N PRO A 23 -10.226 5.331 -7.704 1.00 0.00 N ATOM 349 CA PRO A 23 -9.394 4.313 -7.049 1.00 0.00 C ATOM 350 C PRO A 23 -9.345 4.488 -5.532 1.00 0.00 C ATOM 351 O PRO A 23 -8.286 4.750 -4.959 1.00 0.00 O ATOM 352 CB PRO A 23 -7.999 4.529 -7.658 1.00 0.00 C ATOM 353 CG PRO A 23 -8.221 5.370 -8.869 1.00 0.00 C ATOM 354 CD PRO A 23 -9.424 6.213 -8.566 1.00 0.00 C ATOM 0 HA PRO A 23 -9.789 3.310 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.334 5.026 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.533 3.579 -7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.350 5.992 -9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.389 4.750 -9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.153 7.139 -8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.962 6.492 -9.472 1.00 0.00 H new ATOM 362 N THR A 24 -10.496 4.334 -4.887 1.00 0.00 N ATOM 363 CA THR A 24 -10.585 4.468 -3.436 1.00 0.00 C ATOM 364 C THR A 24 -11.568 3.452 -2.867 1.00 0.00 C ATOM 365 O THR A 24 -11.168 2.461 -2.255 1.00 0.00 O ATOM 366 CB THR A 24 -11.011 5.889 -3.054 1.00 0.00 C ATOM 367 OG1 THR A 24 -11.346 6.643 -4.205 1.00 0.00 O ATOM 368 CG2 THR A 24 -9.939 6.649 -2.303 1.00 0.00 C ATOM 0 H THR A 24 -11.381 4.116 -5.345 1.00 0.00 H new ATOM 0 HA THR A 24 -9.600 4.275 -3.012 1.00 0.00 H new ATOM 0 HB THR A 24 -11.875 5.766 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.617 7.546 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.303 7.648 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.695 6.119 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.046 6.728 -2.924 1.00 0.00 H new ATOM 376 N ASP A 25 -12.856 3.692 -3.088 1.00 0.00 N ATOM 377 CA ASP A 25 -13.892 2.785 -2.613 1.00 0.00 C ATOM 378 C ASP A 25 -14.133 1.697 -3.646 1.00 0.00 C ATOM 379 O ASP A 25 -14.462 0.560 -3.310 1.00 0.00 O ATOM 380 CB ASP A 25 -15.189 3.547 -2.332 1.00 0.00 C ATOM 381 CG ASP A 25 -14.956 4.805 -1.521 1.00 0.00 C ATOM 382 OD1 ASP A 25 -14.394 4.701 -0.410 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.336 5.897 -1.996 1.00 0.00 O ATOM 0 H ASP A 25 -13.206 4.506 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.558 2.327 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.665 3.810 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.881 2.896 -1.797 1.00 0.00 H new ATOM 388 N GLN A 26 -13.943 2.058 -4.908 1.00 0.00 N ATOM 389 CA GLN A 26 -14.109 1.122 -6.004 1.00 0.00 C ATOM 390 C GLN A 26 -12.894 0.204 -6.093 1.00 0.00 C ATOM 391 O GLN A 26 -12.979 -0.915 -6.597 1.00 0.00 O ATOM 392 CB GLN A 26 -14.297 1.881 -7.318 1.00 0.00 C ATOM 393 CG GLN A 26 -15.400 1.318 -8.195 1.00 0.00 C ATOM 394 CD GLN A 26 -15.287 1.771 -9.637 1.00 0.00 C ATOM 395 OE1 GLN A 26 -16.232 2.320 -10.204 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.127 1.541 -10.241 1.00 0.00 N ATOM 0 H GLN A 26 -13.672 2.998 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.996 0.515 -5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.519 2.925 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.359 1.865 -7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.369 0.229 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.367 1.624 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.370 1.083 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.993 1.822 -11.212 1.00 0.00 H new ATOM 405 N LEU A 27 -11.762 0.692 -5.587 1.00 0.00 N ATOM 406 CA LEU A 27 -10.523 -0.073 -5.594 1.00 0.00 C ATOM 407 C LEU A 27 -10.565 -1.181 -4.548 1.00 0.00 C ATOM 408 O LEU A 27 -10.255 -2.335 -4.844 1.00 0.00 O ATOM 409 CB LEU A 27 -9.331 0.851 -5.331 1.00 0.00 C ATOM 410 CG LEU A 27 -7.966 0.276 -5.712 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.858 0.114 -7.221 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.849 1.166 -5.187 1.00 0.00 C ATOM 0 H LEU A 27 -11.681 1.618 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.409 -0.531 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.483 1.779 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.317 1.107 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.865 -0.708 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.880 -0.296 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.637 -0.563 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.979 1.085 -7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.884 0.742 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.946 2.163 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.915 1.231 -4.101 1.00 0.00 H new ATOM 424 N GLU A 28 -10.956 -0.828 -3.325 1.00 0.00 N ATOM 425 CA GLU A 28 -11.039 -1.809 -2.250 1.00 0.00 C ATOM 426 C GLU A 28 -12.112 -2.846 -2.557 1.00 0.00 C ATOM 427 O GLU A 28 -12.025 -3.994 -2.120 1.00 0.00 O ATOM 428 CB GLU A 28 -11.324 -1.126 -0.914 1.00 0.00 C ATOM 429 CG GLU A 28 -12.468 -0.129 -0.967 1.00 0.00 C ATOM 430 CD GLU A 28 -13.416 -0.263 0.209 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.893 -1.390 0.462 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.680 0.758 0.878 1.00 0.00 O ATOM 0 H GLU A 28 -11.218 0.121 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.077 -2.316 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.553 -1.888 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.422 -0.613 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.062 0.882 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.024 -0.269 -1.894 1.00 0.00 H new ATOM 439 N TRP A 29 -13.114 -2.442 -3.329 1.00 0.00 N ATOM 440 CA TRP A 29 -14.186 -3.346 -3.715 1.00 0.00 C ATOM 441 C TRP A 29 -13.648 -4.391 -4.682 1.00 0.00 C ATOM 442 O TRP A 29 -13.851 -5.591 -4.502 1.00 0.00 O ATOM 443 CB TRP A 29 -15.330 -2.557 -4.363 1.00 0.00 C ATOM 444 CG TRP A 29 -16.191 -3.377 -5.278 1.00 0.00 C ATOM 445 CD1 TRP A 29 -17.025 -4.392 -4.916 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.292 -3.258 -6.701 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.650 -4.908 -6.026 1.00 0.00 N ATOM 448 CE2 TRP A 29 -17.216 -4.228 -7.134 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.696 -2.424 -7.651 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.556 -4.385 -8.476 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -16.034 -2.582 -8.982 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.957 -3.555 -9.384 1.00 0.00 C ATOM 0 H TRP A 29 -13.205 -1.496 -3.698 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.571 -3.849 -2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.954 -2.130 -3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.910 -1.723 -4.925 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.173 -4.740 -3.904 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.326 -5.672 -6.025 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.984 -1.670 -7.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -18.267 -5.135 -8.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.578 -1.944 -9.725 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.201 -3.652 -10.432 1.00 0.00 H new ATOM 463 N MET A 30 -12.952 -3.914 -5.705 1.00 0.00 N ATOM 464 CA MET A 30 -12.364 -4.787 -6.714 1.00 0.00 C ATOM 465 C MET A 30 -11.480 -5.847 -6.064 1.00 0.00 C ATOM 466 O MET A 30 -11.606 -7.035 -6.361 1.00 0.00 O ATOM 467 CB MET A 30 -11.552 -3.967 -7.718 1.00 0.00 C ATOM 468 CG MET A 30 -12.389 -2.989 -8.526 1.00 0.00 C ATOM 469 SD MET A 30 -11.462 -1.524 -9.019 1.00 0.00 S ATOM 470 CE MET A 30 -10.107 -2.267 -9.924 1.00 0.00 C ATOM 0 H MET A 30 -12.780 -2.921 -5.859 1.00 0.00 H new ATOM 0 HA MET A 30 -13.173 -5.291 -7.243 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.780 -3.415 -7.183 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.042 -4.646 -8.401 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.768 -3.491 -9.416 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.255 -2.685 -7.938 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.163 -1.999 -9.450 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.219 -3.351 -9.922 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.113 -1.903 -10.951 1.00 0.00 H new ATOM 480 N VAL A 31 -10.598 -5.419 -5.163 1.00 0.00 N ATOM 481 CA VAL A 31 -9.718 -6.352 -4.470 1.00 0.00 C ATOM 482 C VAL A 31 -10.545 -7.327 -3.645 1.00 0.00 C ATOM 483 O VAL A 31 -10.313 -8.535 -3.665 1.00 0.00 O ATOM 484 CB VAL A 31 -8.715 -5.629 -3.550 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.743 -4.788 -4.363 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.438 -4.768 -2.531 1.00 0.00 C ATOM 0 H VAL A 31 -10.475 -4.441 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.150 -6.888 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.146 -6.388 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.045 -4.288 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.190 -5.431 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.296 -4.042 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.708 -4.268 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.040 -4.021 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.085 -5.395 -1.918 1.00 0.00 H new ATOM 496 N GLN A 32 -11.526 -6.783 -2.933 1.00 0.00 N ATOM 497 CA GLN A 32 -12.420 -7.587 -2.108 1.00 0.00 C ATOM 498 C GLN A 32 -13.124 -8.634 -2.963 1.00 0.00 C ATOM 499 O GLN A 32 -13.351 -9.763 -2.529 1.00 0.00 O ATOM 500 CB GLN A 32 -13.449 -6.686 -1.419 1.00 0.00 C ATOM 501 CG GLN A 32 -13.193 -6.495 0.067 1.00 0.00 C ATOM 502 CD GLN A 32 -14.310 -7.048 0.930 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.827 -8.135 0.675 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.689 -6.298 1.959 1.00 0.00 N ATOM 0 H GLN A 32 -11.723 -5.782 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.833 -8.098 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.451 -5.711 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.443 -7.113 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.256 -6.983 0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.070 -5.432 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.232 -5.403 2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.437 -6.617 2.575 1.00 0.00 H new ATOM 513 N LEU A 33 -13.453 -8.244 -4.190 1.00 0.00 N ATOM 514 CA LEU A 33 -14.120 -9.131 -5.134 1.00 0.00 C ATOM 515 C LEU A 33 -13.172 -10.233 -5.605 1.00 0.00 C ATOM 516 O LEU A 33 -13.609 -11.274 -6.094 1.00 0.00 O ATOM 517 CB LEU A 33 -14.631 -8.334 -6.335 1.00 0.00 C ATOM 518 CG LEU A 33 -15.544 -9.107 -7.286 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.720 -9.704 -6.529 1.00 0.00 C ATOM 520 CD2 LEU A 33 -16.033 -8.203 -8.408 1.00 0.00 C ATOM 0 H LEU A 33 -13.266 -7.310 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.966 -9.596 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.170 -7.460 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.774 -7.966 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.971 -9.922 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.359 -10.251 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.351 -10.385 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.294 -8.905 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.682 -8.770 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.590 -7.367 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.178 -7.824 -8.968 1.00 0.00 H new ATOM 532 N CYS A 34 -11.872 -9.984 -5.469 1.00 0.00 N ATOM 533 CA CYS A 34 -10.856 -10.942 -5.893 1.00 0.00 C ATOM 534 C CYS A 34 -10.430 -11.860 -4.747 1.00 0.00 C ATOM 535 O CYS A 34 -9.624 -12.769 -4.946 1.00 0.00 O ATOM 536 CB CYS A 34 -9.638 -10.202 -6.446 1.00 0.00 C ATOM 537 SG CYS A 34 -9.792 -9.717 -8.180 1.00 0.00 S ATOM 0 H CYS A 34 -11.497 -9.125 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.293 -11.564 -6.674 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.465 -9.310 -5.845 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.759 -10.837 -6.334 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.336 -10.686 -8.855 1.00 0.00 H new ATOM 543 N GLY A 35 -10.971 -11.626 -3.550 1.00 0.00 N ATOM 544 CA GLY A 35 -10.629 -12.455 -2.408 1.00 0.00 C ATOM 545 C GLY A 35 -9.907 -11.692 -1.313 1.00 0.00 C ATOM 546 O GLY A 35 -9.786 -12.178 -0.188 1.00 0.00 O ATOM 0 H GLY A 35 -11.637 -10.879 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.540 -12.892 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.001 -13.281 -2.741 1.00 0.00 H new ATOM 550 N ALA A 36 -9.421 -10.501 -1.638 1.00 0.00 N ATOM 551 CA ALA A 36 -8.703 -9.680 -0.670 1.00 0.00 C ATOM 552 C ALA A 36 -9.654 -9.018 0.315 1.00 0.00 C ATOM 553 O ALA A 36 -10.870 -9.189 0.239 1.00 0.00 O ATOM 554 CB ALA A 36 -7.876 -8.627 -1.387 1.00 0.00 C ATOM 0 H ALA A 36 -9.510 -10.082 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.040 -10.335 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.345 -8.020 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.156 -9.115 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.533 -7.989 -1.978 1.00 0.00 H new ATOM 560 N SER A 37 -9.082 -8.256 1.236 1.00 0.00 N ATOM 561 CA SER A 37 -9.861 -7.550 2.245 1.00 0.00 C ATOM 562 C SER A 37 -9.411 -6.097 2.345 1.00 0.00 C ATOM 563 O SER A 37 -8.214 -5.809 2.357 1.00 0.00 O ATOM 564 CB SER A 37 -9.721 -8.240 3.604 1.00 0.00 C ATOM 565 OG SER A 37 -10.990 -8.551 4.152 1.00 0.00 O ATOM 0 H SER A 37 -8.075 -8.110 1.306 1.00 0.00 H new ATOM 0 HA SER A 37 -10.910 -7.570 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.136 -9.153 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.174 -7.592 4.289 1.00 0.00 H new ATOM 0 HG SER A 37 -10.873 -8.992 5.019 1.00 0.00 H new ATOM 571 N VAL A 38 -10.373 -5.183 2.415 1.00 0.00 N ATOM 572 CA VAL A 38 -10.065 -3.763 2.511 1.00 0.00 C ATOM 573 C VAL A 38 -9.504 -3.419 3.887 1.00 0.00 C ATOM 574 O VAL A 38 -10.199 -3.531 4.897 1.00 0.00 O ATOM 575 CB VAL A 38 -11.310 -2.898 2.234 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.393 -3.162 3.269 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.942 -1.422 2.202 1.00 0.00 C ATOM 0 H VAL A 38 -11.370 -5.400 2.407 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.313 -3.546 1.753 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.704 -3.172 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.262 -2.540 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.681 -4.213 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.013 -2.922 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.835 -0.829 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.518 -1.132 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.209 -1.247 1.415 1.00 0.00 H new ATOM 587 N VAL A 39 -8.241 -3.008 3.919 1.00 0.00 N ATOM 588 CA VAL A 39 -7.583 -2.657 5.170 1.00 0.00 C ATOM 589 C VAL A 39 -7.660 -1.154 5.425 1.00 0.00 C ATOM 590 O VAL A 39 -7.239 -0.351 4.592 1.00 0.00 O ATOM 591 CB VAL A 39 -6.107 -3.102 5.163 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.526 -3.064 6.564 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.971 -4.493 4.563 1.00 0.00 C ATOM 0 H VAL A 39 -7.653 -2.910 3.091 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.106 -3.180 5.971 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.544 -2.404 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.484 -3.382 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.585 -2.048 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.092 -3.735 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.922 -4.790 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.551 -5.202 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.342 -4.485 3.538 1.00 0.00 H new ATOM 603 N LYS A 40 -8.209 -0.784 6.578 1.00 0.00 N ATOM 604 CA LYS A 40 -8.354 0.621 6.945 1.00 0.00 C ATOM 605 C LYS A 40 -7.015 1.348 6.921 1.00 0.00 C ATOM 606 O LYS A 40 -6.890 2.421 6.332 1.00 0.00 O ATOM 607 CB LYS A 40 -8.990 0.742 8.332 1.00 0.00 C ATOM 608 CG LYS A 40 -10.484 1.021 8.294 1.00 0.00 C ATOM 609 CD LYS A 40 -11.293 -0.249 8.504 1.00 0.00 C ATOM 610 CE LYS A 40 -12.785 0.042 8.549 1.00 0.00 C ATOM 611 NZ LYS A 40 -13.454 -0.288 7.260 1.00 0.00 N ATOM 0 H LYS A 40 -8.562 -1.439 7.276 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.004 1.091 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.815 -0.181 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.493 1.541 8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.739 1.748 9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.748 1.467 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.083 -0.953 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.986 -0.727 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.243 -0.533 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.943 1.095 8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.470 -0.076 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.035 0.279 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.326 -1.299 7.051 1.00 0.00 H new ATOM 625 N GLU A 41 -6.019 0.760 7.568 1.00 0.00 N ATOM 626 CA GLU A 41 -4.689 1.357 7.627 1.00 0.00 C ATOM 627 C GLU A 41 -3.600 0.295 7.513 1.00 0.00 C ATOM 628 O GLU A 41 -3.888 -0.889 7.332 1.00 0.00 O ATOM 629 CB GLU A 41 -4.517 2.141 8.929 1.00 0.00 C ATOM 630 CG GLU A 41 -4.962 3.591 8.831 1.00 0.00 C ATOM 631 CD GLU A 41 -4.000 4.544 9.513 1.00 0.00 C ATOM 632 OE1 GLU A 41 -2.808 4.556 9.136 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.437 5.278 10.423 1.00 0.00 O ATOM 0 H GLU A 41 -6.105 -0.129 8.060 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.591 2.038 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.085 1.648 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.468 2.111 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.058 3.867 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.950 3.695 9.280 1.00 0.00 H new ATOM 640 N LEU A 42 -2.348 0.729 7.620 1.00 0.00 N ATOM 641 CA LEU A 42 -1.211 -0.180 7.528 1.00 0.00 C ATOM 642 C LEU A 42 -1.106 -1.050 8.778 1.00 0.00 C ATOM 643 O LEU A 42 -0.786 -2.235 8.696 1.00 0.00 O ATOM 644 CB LEU A 42 0.085 0.610 7.332 1.00 0.00 C ATOM 645 CG LEU A 42 0.013 1.728 6.290 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.289 2.557 6.305 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.233 1.150 4.904 1.00 0.00 C ATOM 0 H LEU A 42 -2.095 1.706 7.771 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.366 -0.830 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.376 1.044 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.875 -0.084 7.044 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.822 2.381 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.219 3.347 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.422 3.002 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.141 1.917 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.281 1.959 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.581 0.474 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.175 0.602 4.900 1.00 0.00 H new ATOM 659 N SER A 43 -1.375 -0.453 9.934 1.00 0.00 N ATOM 660 CA SER A 43 -1.309 -1.175 11.200 1.00 0.00 C ATOM 661 C SER A 43 -2.512 -2.101 11.380 1.00 0.00 C ATOM 662 O SER A 43 -2.561 -2.884 12.329 1.00 0.00 O ATOM 663 CB SER A 43 -1.233 -0.188 12.367 1.00 0.00 C ATOM 664 OG SER A 43 0.104 -0.025 12.813 1.00 0.00 O ATOM 0 H SER A 43 -1.641 0.528 10.021 1.00 0.00 H new ATOM 0 HA SER A 43 -0.409 -1.789 11.186 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.637 0.776 12.058 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.853 -0.544 13.190 1.00 0.00 H new ATOM 0 HG SER A 43 0.125 0.612 13.558 1.00 0.00 H new ATOM 670 N SER A 44 -3.479 -2.010 10.471 1.00 0.00 N ATOM 671 CA SER A 44 -4.675 -2.842 10.543 1.00 0.00 C ATOM 672 C SER A 44 -4.371 -4.283 10.141 1.00 0.00 C ATOM 673 O SER A 44 -5.085 -5.207 10.532 1.00 0.00 O ATOM 674 CB SER A 44 -5.772 -2.270 9.643 1.00 0.00 C ATOM 675 OG SER A 44 -6.685 -1.484 10.390 1.00 0.00 O ATOM 0 H SER A 44 -3.457 -1.369 9.678 1.00 0.00 H new ATOM 0 HA SER A 44 -5.021 -2.842 11.576 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.323 -1.663 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.305 -3.084 9.152 1.00 0.00 H new ATOM 0 HG SER A 44 -7.597 -1.650 10.071 1.00 0.00 H new ATOM 681 N PHE A 45 -3.310 -4.472 9.359 1.00 0.00 N ATOM 682 CA PHE A 45 -2.920 -5.805 8.908 1.00 0.00 C ATOM 683 C PHE A 45 -2.787 -6.767 10.086 1.00 0.00 C ATOM 684 O PHE A 45 -2.213 -6.421 11.120 1.00 0.00 O ATOM 685 CB PHE A 45 -1.599 -5.742 8.138 1.00 0.00 C ATOM 686 CG PHE A 45 -1.686 -4.963 6.857 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.686 -5.227 5.934 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.765 -3.967 6.575 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.766 -4.511 4.755 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.841 -3.247 5.398 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.842 -3.520 4.488 1.00 0.00 C ATOM 0 H PHE A 45 -2.707 -3.720 9.025 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.703 -6.176 8.247 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.838 -5.293 8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.270 -6.757 7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.411 -6.001 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.021 -3.751 7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.550 -4.726 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.118 -2.472 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.903 -2.959 3.567 1.00 0.00 H new ATOM 701 N THR A 46 -3.321 -7.972 9.923 1.00 0.00 N ATOM 702 CA THR A 46 -3.262 -8.983 10.973 1.00 0.00 C ATOM 703 C THR A 46 -2.797 -10.324 10.413 1.00 0.00 C ATOM 704 O THR A 46 -3.328 -10.809 9.414 1.00 0.00 O ATOM 705 CB THR A 46 -4.631 -9.140 11.635 1.00 0.00 C ATOM 706 OG1 THR A 46 -5.293 -7.891 11.720 1.00 0.00 O ATOM 707 CG2 THR A 46 -4.557 -9.715 13.034 1.00 0.00 C ATOM 0 H THR A 46 -3.800 -8.273 9.074 1.00 0.00 H new ATOM 0 HA THR A 46 -2.540 -8.653 11.720 1.00 0.00 H new ATOM 0 HB THR A 46 -5.180 -9.836 11.001 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.168 -8.013 12.145 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.563 -9.800 13.446 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.095 -10.702 12.998 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.960 -9.058 13.666 1.00 0.00 H new ATOM 715 N LEU A 47 -1.804 -10.918 11.065 1.00 0.00 N ATOM 716 CA LEU A 47 -1.267 -12.204 10.633 1.00 0.00 C ATOM 717 C LEU A 47 -2.178 -13.347 11.070 1.00 0.00 C ATOM 718 O LEU A 47 -1.970 -13.953 12.121 1.00 0.00 O ATOM 719 CB LEU A 47 0.138 -12.412 11.200 1.00 0.00 C ATOM 720 CG LEU A 47 0.292 -12.088 12.688 1.00 0.00 C ATOM 721 CD1 LEU A 47 1.189 -13.110 13.371 1.00 0.00 C ATOM 722 CD2 LEU A 47 0.847 -10.682 12.872 1.00 0.00 C ATOM 0 H LEU A 47 -1.354 -10.530 11.894 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.214 -12.200 9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.428 -13.450 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.836 -11.794 10.635 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.693 -12.134 13.153 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.285 -12.861 14.428 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.751 -14.103 13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.174 -13.099 12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.950 -10.468 13.936 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.823 -10.610 12.391 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.166 -9.960 12.421 1.00 0.00 H new ATOM 734 N GLY A 48 -3.188 -13.636 10.256 1.00 0.00 N ATOM 735 CA GLY A 48 -4.116 -14.705 10.574 1.00 0.00 C ATOM 736 C GLY A 48 -3.566 -16.075 10.229 1.00 0.00 C ATOM 737 O GLY A 48 -2.695 -16.596 10.925 1.00 0.00 O ATOM 0 H GLY A 48 -3.380 -13.148 9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.354 -14.670 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.049 -14.545 10.033 1.00 0.00 H new ATOM 741 N THR A 49 -4.075 -16.660 9.150 1.00 0.00 N ATOM 742 CA THR A 49 -3.630 -17.978 8.712 1.00 0.00 C ATOM 743 C THR A 49 -3.229 -17.956 7.240 1.00 0.00 C ATOM 744 O THR A 49 -2.190 -18.496 6.862 1.00 0.00 O ATOM 745 CB THR A 49 -4.733 -19.012 8.937 1.00 0.00 C ATOM 746 OG1 THR A 49 -6.007 -18.452 8.673 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.757 -19.565 10.345 1.00 0.00 C ATOM 0 H THR A 49 -4.796 -16.242 8.562 1.00 0.00 H new ATOM 0 HA THR A 49 -2.757 -18.254 9.303 1.00 0.00 H new ATOM 0 HB THR A 49 -4.510 -19.827 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.699 -19.130 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.563 -20.293 10.436 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.805 -20.049 10.562 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.920 -18.752 11.052 1.00 0.00 H new ATOM 755 N GLY A 50 -4.061 -17.329 6.415 1.00 0.00 N ATOM 756 CA GLY A 50 -3.776 -17.249 4.994 1.00 0.00 C ATOM 757 C GLY A 50 -4.026 -15.865 4.429 1.00 0.00 C ATOM 758 O GLY A 50 -4.374 -15.721 3.256 1.00 0.00 O ATOM 0 H GLY A 50 -4.927 -16.875 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.737 -17.527 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.394 -17.972 4.462 1.00 0.00 H new ATOM 762 N VAL A 51 -3.849 -14.846 5.262 1.00 0.00 N ATOM 763 CA VAL A 51 -4.056 -13.467 4.838 1.00 0.00 C ATOM 764 C VAL A 51 -2.730 -12.731 4.690 1.00 0.00 C ATOM 765 O VAL A 51 -2.042 -12.467 5.675 1.00 0.00 O ATOM 766 CB VAL A 51 -4.950 -12.698 5.831 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.414 -13.048 5.614 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.532 -12.988 7.264 1.00 0.00 C ATOM 0 H VAL A 51 -3.562 -14.949 6.235 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.555 -13.508 3.870 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.825 -11.630 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.029 -12.495 6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.705 -12.782 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.558 -14.118 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.175 -12.436 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.624 -14.056 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.497 -12.680 7.410 1.00 0.00 H new ATOM 778 N HIS A 52 -2.377 -12.402 3.450 1.00 0.00 N ATOM 779 CA HIS A 52 -1.131 -11.696 3.173 1.00 0.00 C ATOM 780 C HIS A 52 -1.364 -10.187 3.112 1.00 0.00 C ATOM 781 O HIS A 52 -2.330 -9.726 2.503 1.00 0.00 O ATOM 782 CB HIS A 52 -0.527 -12.183 1.855 1.00 0.00 C ATOM 783 CG HIS A 52 0.258 -13.451 1.990 1.00 0.00 C ATOM 784 ND1 HIS A 52 0.145 -14.504 1.107 1.00 0.00 N ATOM 785 CD2 HIS A 52 1.172 -13.832 2.914 1.00 0.00 C ATOM 786 CE1 HIS A 52 0.956 -15.479 1.482 1.00 0.00 C ATOM 787 NE2 HIS A 52 1.590 -15.096 2.574 1.00 0.00 N ATOM 0 H HIS A 52 -2.936 -12.613 2.623 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.434 -11.907 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.328 -12.336 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.121 -11.405 1.452 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.509 -13.251 3.760 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.079 -16.427 0.980 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.279 -15.649 3.084 1.00 0.00 H new ATOM 796 N PRO A 53 -0.484 -9.393 3.748 1.00 0.00 N ATOM 797 CA PRO A 53 -0.604 -7.936 3.765 1.00 0.00 C ATOM 798 C PRO A 53 -0.043 -7.284 2.505 1.00 0.00 C ATOM 799 O PRO A 53 1.025 -7.661 2.020 1.00 0.00 O ATOM 800 CB PRO A 53 0.223 -7.546 4.985 1.00 0.00 C ATOM 801 CG PRO A 53 1.295 -8.579 5.053 1.00 0.00 C ATOM 802 CD PRO A 53 0.697 -9.853 4.508 1.00 0.00 C ATOM 0 HA PRO A 53 -1.643 -7.608 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.642 -6.545 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.383 -7.542 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.163 -8.276 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.635 -8.718 6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.402 -10.384 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.416 -10.537 5.309 1.00 0.00 H new ATOM 810 N ILE A 54 -0.770 -6.302 1.983 1.00 0.00 N ATOM 811 CA ILE A 54 -0.355 -5.586 0.781 1.00 0.00 C ATOM 812 C ILE A 54 -0.751 -4.115 0.867 1.00 0.00 C ATOM 813 O ILE A 54 -1.722 -3.765 1.537 1.00 0.00 O ATOM 814 CB ILE A 54 -0.983 -6.195 -0.489 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.919 -7.723 -0.445 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.287 -5.662 -1.731 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.477 -8.284 -0.598 1.00 0.00 C ATOM 0 H ILE A 54 -1.655 -5.982 2.376 1.00 0.00 H new ATOM 0 HA ILE A 54 0.729 -5.676 0.717 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.032 -5.902 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.336 -8.067 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.550 -8.126 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.741 -6.101 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.390 -4.578 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.770 -5.925 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.438 -9.373 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.891 -7.972 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.109 -7.912 0.209 1.00 0.00 H new ATOM 829 N VAL A 55 0.001 -3.257 0.187 1.00 0.00 N ATOM 830 CA VAL A 55 -0.279 -1.826 0.192 1.00 0.00 C ATOM 831 C VAL A 55 -0.357 -1.273 -1.227 1.00 0.00 C ATOM 832 O VAL A 55 0.278 -1.794 -2.144 1.00 0.00 O ATOM 833 CB VAL A 55 0.791 -1.047 0.982 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.428 0.428 1.067 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.964 -1.641 2.371 1.00 0.00 C ATOM 0 H VAL A 55 0.809 -3.527 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.245 -1.695 0.680 1.00 0.00 H new ATOM 0 HB VAL A 55 1.740 -1.132 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.196 0.960 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.359 0.844 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.532 0.538 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.723 -1.079 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.018 -1.588 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.275 -2.682 2.285 1.00 0.00 H new ATOM 845 N VAL A 56 -1.147 -0.217 -1.404 1.00 0.00 N ATOM 846 CA VAL A 56 -1.311 0.404 -2.713 1.00 0.00 C ATOM 847 C VAL A 56 -1.086 1.914 -2.642 1.00 0.00 C ATOM 848 O VAL A 56 -1.394 2.550 -1.634 1.00 0.00 O ATOM 849 CB VAL A 56 -2.713 0.117 -3.288 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.907 0.782 -4.645 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.947 -1.382 -3.389 1.00 0.00 C ATOM 0 H VAL A 56 -1.683 0.225 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.561 -0.031 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.448 0.542 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.906 0.559 -5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.791 1.861 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.163 0.403 -5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.941 -1.569 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.197 -1.824 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.871 -1.830 -2.398 1.00 0.00 H new ATOM 861 N VAL A 57 -0.544 2.479 -3.719 1.00 0.00 N ATOM 862 CA VAL A 57 -0.274 3.912 -3.781 1.00 0.00 C ATOM 863 C VAL A 57 -0.630 4.485 -5.151 1.00 0.00 C ATOM 864 O VAL A 57 -1.152 3.779 -6.013 1.00 0.00 O ATOM 865 CB VAL A 57 1.208 4.216 -3.487 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.479 4.164 -1.992 1.00 0.00 C ATOM 867 CG2 VAL A 57 2.112 3.252 -4.240 1.00 0.00 C ATOM 0 H VAL A 57 -0.283 1.965 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.897 4.381 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 57 1.429 5.225 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.531 4.381 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.860 4.903 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.241 3.170 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.154 3.483 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.893 2.230 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.937 3.351 -5.311 1.00 0.00 H new ATOM 877 N GLN A 58 -0.344 5.771 -5.342 1.00 0.00 N ATOM 878 CA GLN A 58 -0.631 6.439 -6.607 1.00 0.00 C ATOM 879 C GLN A 58 -0.105 7.873 -6.597 1.00 0.00 C ATOM 880 O GLN A 58 -0.791 8.792 -6.149 1.00 0.00 O ATOM 881 CB GLN A 58 -2.136 6.437 -6.878 1.00 0.00 C ATOM 882 CG GLN A 58 -2.496 6.038 -8.300 1.00 0.00 C ATOM 883 CD GLN A 58 -3.686 6.808 -8.838 1.00 0.00 C ATOM 884 OE1 GLN A 58 -4.643 6.221 -9.345 1.00 0.00 O ATOM 885 NE2 GLN A 58 -3.632 8.131 -8.734 1.00 0.00 N ATOM 0 H GLN A 58 0.086 6.370 -4.637 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.125 5.891 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.621 5.752 -6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.535 7.431 -6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.636 6.205 -8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.715 4.971 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.820 8.576 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.403 8.702 -9.081 1.00 0.00 H new ATOM 894 N PRO A 59 1.127 8.086 -7.093 1.00 0.00 N ATOM 895 CA PRO A 59 1.742 9.417 -7.137 1.00 0.00 C ATOM 896 C PRO A 59 1.095 10.321 -8.182 1.00 0.00 C ATOM 897 O PRO A 59 1.750 10.765 -9.126 1.00 0.00 O ATOM 898 CB PRO A 59 3.196 9.124 -7.507 1.00 0.00 C ATOM 899 CG PRO A 59 3.142 7.838 -8.258 1.00 0.00 C ATOM 900 CD PRO A 59 2.018 7.048 -7.647 1.00 0.00 C ATOM 0 HA PRO A 59 1.629 9.950 -6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.618 9.922 -8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.821 9.038 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.964 8.013 -9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.086 7.299 -8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.507 6.436 -8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.378 6.372 -6.871 1.00 0.00 H new ATOM 908 N ASP A 60 -0.193 10.594 -8.006 1.00 0.00 N ATOM 909 CA ASP A 60 -0.928 11.449 -8.931 1.00 0.00 C ATOM 910 C ASP A 60 -1.495 12.664 -8.207 1.00 0.00 C ATOM 911 O ASP A 60 -1.065 13.795 -8.436 1.00 0.00 O ATOM 912 CB ASP A 60 -2.057 10.664 -9.602 1.00 0.00 C ATOM 913 CG ASP A 60 -2.323 11.130 -11.018 1.00 0.00 C ATOM 914 OD1 ASP A 60 -1.347 11.302 -11.780 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.506 11.326 -11.368 1.00 0.00 O ATOM 0 H ASP A 60 -0.750 10.235 -7.231 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.235 11.794 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.802 9.604 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.968 10.767 -9.012 1.00 0.00 H new ATOM 920 N ALA A 61 -2.459 12.419 -7.331 1.00 0.00 N ATOM 921 CA ALA A 61 -3.086 13.488 -6.565 1.00 0.00 C ATOM 922 C ALA A 61 -2.270 13.823 -5.319 1.00 0.00 C ATOM 923 O ALA A 61 -2.353 14.931 -4.791 1.00 0.00 O ATOM 924 CB ALA A 61 -4.505 13.096 -6.180 1.00 0.00 C ATOM 0 H ALA A 61 -2.825 11.488 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.123 14.379 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.963 13.903 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.089 12.913 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.481 12.190 -5.574 1.00 0.00 H new ATOM 930 N TRP A 62 -1.481 12.856 -4.856 1.00 0.00 N ATOM 931 CA TRP A 62 -0.648 13.047 -3.673 1.00 0.00 C ATOM 932 C TRP A 62 0.283 14.244 -3.845 1.00 0.00 C ATOM 933 O TRP A 62 0.649 14.902 -2.871 1.00 0.00 O ATOM 934 CB TRP A 62 0.172 11.783 -3.396 1.00 0.00 C ATOM 935 CG TRP A 62 -0.153 11.137 -2.085 1.00 0.00 C ATOM 936 CD1 TRP A 62 -1.128 10.211 -1.847 1.00 0.00 C ATOM 937 CD2 TRP A 62 0.498 11.366 -0.830 1.00 0.00 C ATOM 938 NE1 TRP A 62 -1.124 9.853 -0.520 1.00 0.00 N ATOM 939 CE2 TRP A 62 -0.135 10.548 0.125 1.00 0.00 C ATOM 940 CE3 TRP A 62 1.555 12.185 -0.421 1.00 0.00 C ATOM 941 CZ2 TRP A 62 0.255 10.524 1.461 1.00 0.00 C ATOM 942 CZ3 TRP A 62 1.942 12.161 0.906 1.00 0.00 C ATOM 943 CH2 TRP A 62 1.293 11.336 1.833 1.00 0.00 C ATOM 0 H TRP A 62 -1.402 11.933 -5.282 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.304 13.243 -2.825 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.001 11.065 -4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.232 12.036 -3.415 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.803 9.818 -2.592 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.755 9.179 -0.086 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.060 12.825 -1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.243 9.888 2.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.758 12.789 1.233 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.618 11.340 2.863 1.00 0.00 H new ATOM 954 N THR A 63 0.666 14.517 -5.092 1.00 0.00 N ATOM 955 CA THR A 63 1.557 15.633 -5.403 1.00 0.00 C ATOM 956 C THR A 63 2.748 15.677 -4.447 1.00 0.00 C ATOM 957 O THR A 63 2.986 14.734 -3.692 1.00 0.00 O ATOM 958 CB THR A 63 0.793 16.959 -5.356 1.00 0.00 C ATOM 959 OG1 THR A 63 1.595 18.017 -5.849 1.00 0.00 O ATOM 960 CG2 THR A 63 0.333 17.343 -3.965 1.00 0.00 C ATOM 0 H THR A 63 0.371 13.978 -5.906 1.00 0.00 H new ATOM 0 HA THR A 63 1.939 15.481 -6.412 1.00 0.00 H new ATOM 0 HB THR A 63 -0.087 16.803 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.089 18.855 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.201 18.292 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.330 16.571 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.199 17.442 -3.310 1.00 0.00 H new ATOM 968 N GLU A 64 3.491 16.778 -4.485 1.00 0.00 N ATOM 969 CA GLU A 64 4.655 16.945 -3.622 1.00 0.00 C ATOM 970 C GLU A 64 4.405 18.020 -2.571 1.00 0.00 C ATOM 971 O GLU A 64 4.027 19.145 -2.897 1.00 0.00 O ATOM 972 CB GLU A 64 5.886 17.307 -4.456 1.00 0.00 C ATOM 973 CG GLU A 64 6.448 16.139 -5.251 1.00 0.00 C ATOM 974 CD GLU A 64 6.364 16.356 -6.749 1.00 0.00 C ATOM 975 OE1 GLU A 64 7.283 16.991 -7.309 1.00 0.00 O ATOM 976 OE2 GLU A 64 5.379 15.892 -7.361 1.00 0.00 O ATOM 0 H GLU A 64 3.308 17.568 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 64 4.835 15.999 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.625 18.111 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.662 17.692 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.489 15.980 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.905 15.231 -4.989 1.00 0.00 H new ATOM 983 N ASP A 65 4.620 17.666 -1.308 1.00 0.00 N ATOM 984 CA ASP A 65 4.417 18.601 -0.207 1.00 0.00 C ATOM 985 C ASP A 65 4.796 17.964 1.126 1.00 0.00 C ATOM 986 O ASP A 65 5.436 18.594 1.967 1.00 0.00 O ATOM 987 CB ASP A 65 2.960 19.066 -0.166 1.00 0.00 C ATOM 988 CG ASP A 65 1.983 17.908 -0.187 1.00 0.00 C ATOM 989 OD1 ASP A 65 1.991 17.141 -1.173 1.00 0.00 O ATOM 990 OD2 ASP A 65 1.210 17.767 0.784 1.00 0.00 O ATOM 0 H ASP A 65 4.935 16.739 -1.022 1.00 0.00 H new ATOM 0 HA ASP A 65 5.062 19.463 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.796 19.660 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.765 19.718 -1.018 1.00 0.00 H new ATOM 995 N ASN A 66 4.394 16.710 1.312 1.00 0.00 N ATOM 996 CA ASN A 66 4.691 15.989 2.544 1.00 0.00 C ATOM 997 C ASN A 66 5.919 15.099 2.374 1.00 0.00 C ATOM 998 O ASN A 66 6.842 15.136 3.187 1.00 0.00 O ATOM 999 CB ASN A 66 3.486 15.143 2.965 1.00 0.00 C ATOM 1000 CG ASN A 66 3.054 15.422 4.392 1.00 0.00 C ATOM 1001 OD1 ASN A 66 3.764 16.084 5.150 1.00 0.00 O ATOM 1002 ND2 ASN A 66 1.885 14.917 4.765 1.00 0.00 N ATOM 0 H ASN A 66 3.863 16.174 0.626 1.00 0.00 H new ATOM 0 HA ASN A 66 4.903 16.722 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.653 15.341 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.734 14.086 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.542 15.071 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.329 14.374 4.104 1.00 0.00 H new ATOM 1009 N GLY A 67 5.923 14.303 1.310 1.00 0.00 N ATOM 1010 CA GLY A 67 7.041 13.415 1.052 1.00 0.00 C ATOM 1011 C GLY A 67 6.602 11.982 0.829 1.00 0.00 C ATOM 1012 O GLY A 67 6.072 11.339 1.736 1.00 0.00 O ATOM 0 H GLY A 67 5.172 14.257 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.585 13.766 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.733 13.453 1.893 1.00 0.00 H new ATOM 1016 N PHE A 68 6.820 11.479 -0.382 1.00 0.00 N ATOM 1017 CA PHE A 68 6.440 10.113 -0.721 1.00 0.00 C ATOM 1018 C PHE A 68 7.650 9.177 -0.715 1.00 0.00 C ATOM 1019 O PHE A 68 7.544 8.015 -1.104 1.00 0.00 O ATOM 1020 CB PHE A 68 5.765 10.079 -2.094 1.00 0.00 C ATOM 1021 CG PHE A 68 5.075 8.778 -2.386 1.00 0.00 C ATOM 1022 CD1 PHE A 68 3.788 8.542 -1.928 1.00 0.00 C ATOM 1023 CD2 PHE A 68 5.714 7.790 -3.117 1.00 0.00 C ATOM 1024 CE1 PHE A 68 3.153 7.345 -2.193 1.00 0.00 C ATOM 1025 CE2 PHE A 68 5.085 6.589 -3.383 1.00 0.00 C ATOM 1026 CZ PHE A 68 3.803 6.367 -2.921 1.00 0.00 C ATOM 0 H PHE A 68 7.258 11.997 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 68 5.739 9.765 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.038 10.889 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.514 10.266 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.276 9.303 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.716 7.961 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.150 7.173 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.595 5.825 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.309 5.430 -3.129 1.00 0.00 H new ATOM 1036 N HIS A 69 8.797 9.685 -0.274 1.00 0.00 N ATOM 1037 CA HIS A 69 10.014 8.884 -0.225 1.00 0.00 C ATOM 1038 C HIS A 69 10.163 8.196 1.130 1.00 0.00 C ATOM 1039 O HIS A 69 11.181 8.348 1.808 1.00 0.00 O ATOM 1040 CB HIS A 69 11.237 9.760 -0.506 1.00 0.00 C ATOM 1041 CG HIS A 69 12.516 8.989 -0.611 1.00 0.00 C ATOM 1042 ND1 HIS A 69 12.752 7.656 -0.577 1.00 0.00 N flip ATOM 1043 CD2 HIS A 69 13.748 9.590 -0.771 1.00 0.00 C flip ATOM 1044 CE1 HIS A 69 14.107 7.479 -0.716 1.00 0.00 C flip ATOM 1045 NE2 HIS A 69 14.685 8.660 -0.832 1.00 0.00 N flip ATOM 0 H HIS A 69 8.908 10.645 0.053 1.00 0.00 H new ATOM 0 HA HIS A 69 9.943 8.114 -0.993 1.00 0.00 H new ATOM 0 HB2 HIS A 69 11.075 10.308 -1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 69 11.333 10.500 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.920 10.654 -0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.617 6.527 -0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.685 8.826 -0.949 1.00 0.00 H new ATOM 1054 N ALA A 70 9.142 7.439 1.520 1.00 0.00 N ATOM 1055 CA ALA A 70 9.161 6.729 2.794 1.00 0.00 C ATOM 1056 C ALA A 70 7.917 5.862 2.964 1.00 0.00 C ATOM 1057 O ALA A 70 7.395 5.723 4.070 1.00 0.00 O ATOM 1058 CB ALA A 70 9.278 7.715 3.946 1.00 0.00 C ATOM 0 H ALA A 70 8.292 7.302 0.973 1.00 0.00 H new ATOM 0 HA ALA A 70 10.031 6.073 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.291 7.171 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.201 8.286 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.426 8.395 3.931 1.00 0.00 H new ATOM 1064 N ILE A 71 7.448 5.278 1.866 1.00 0.00 N ATOM 1065 CA ILE A 71 6.267 4.426 1.901 1.00 0.00 C ATOM 1066 C ILE A 71 6.571 3.100 2.591 1.00 0.00 C ATOM 1067 O ILE A 71 6.010 2.794 3.643 1.00 0.00 O ATOM 1068 CB ILE A 71 5.733 4.146 0.485 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.587 5.453 -0.294 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.402 3.413 0.555 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.585 6.411 0.315 1.00 0.00 C ATOM 0 H ILE A 71 7.868 5.380 0.942 1.00 0.00 H new ATOM 0 HA ILE A 71 5.505 4.962 2.466 1.00 0.00 H new ATOM 0 HB ILE A 71 6.447 3.510 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.559 5.944 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.285 5.226 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.038 3.223 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.535 2.466 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.678 4.025 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.533 7.316 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.603 5.939 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.896 6.668 1.327 1.00 0.00 H new ATOM 1083 N GLY A 72 7.465 2.319 1.995 1.00 0.00 N ATOM 1084 CA GLY A 72 7.830 1.037 2.569 1.00 0.00 C ATOM 1085 C GLY A 72 8.393 1.173 3.970 1.00 0.00 C ATOM 1086 O GLY A 72 8.323 0.237 4.768 1.00 0.00 O ATOM 0 H GLY A 72 7.944 2.551 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.953 0.390 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.567 0.552 1.929 1.00 0.00 H new ATOM 1090 N GLN A 73 8.951 2.341 4.271 1.00 0.00 N ATOM 1091 CA GLN A 73 9.529 2.598 5.585 1.00 0.00 C ATOM 1092 C GLN A 73 8.439 2.876 6.617 1.00 0.00 C ATOM 1093 O GLN A 73 8.638 2.673 7.815 1.00 0.00 O ATOM 1094 CB GLN A 73 10.496 3.781 5.517 1.00 0.00 C ATOM 1095 CG GLN A 73 11.636 3.692 6.519 1.00 0.00 C ATOM 1096 CD GLN A 73 12.963 4.136 5.933 1.00 0.00 C ATOM 1097 OE1 GLN A 73 13.575 3.420 5.141 1.00 0.00 O ATOM 1098 NE2 GLN A 73 13.413 5.324 6.321 1.00 0.00 N ATOM 0 H GLN A 73 9.015 3.125 3.622 1.00 0.00 H new ATOM 0 HA GLN A 73 10.076 1.707 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.911 3.843 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.942 4.703 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.401 4.309 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.725 2.665 6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.872 5.884 6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.300 5.676 5.960 1.00 0.00 H new ATOM 1107 N MET A 74 7.286 3.343 6.146 1.00 0.00 N ATOM 1108 CA MET A 74 6.168 3.649 7.031 1.00 0.00 C ATOM 1109 C MET A 74 5.218 2.460 7.139 1.00 0.00 C ATOM 1110 O MET A 74 4.583 2.251 8.173 1.00 0.00 O ATOM 1111 CB MET A 74 5.411 4.879 6.522 1.00 0.00 C ATOM 1112 CG MET A 74 5.422 6.046 7.495 1.00 0.00 C ATOM 1113 SD MET A 74 4.180 7.293 7.101 1.00 0.00 S ATOM 1114 CE MET A 74 2.695 6.290 7.060 1.00 0.00 C ATOM 0 H MET A 74 7.102 3.517 5.158 1.00 0.00 H new ATOM 0 HA MET A 74 6.568 3.861 8.022 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.850 5.200 5.577 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.378 4.599 6.315 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.249 5.673 8.505 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.409 6.508 7.490 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.839 6.895 7.359 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.538 5.913 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.804 5.451 7.747 1.00 0.00 H new ATOM 1124 N CYS A 75 5.127 1.683 6.065 1.00 0.00 N ATOM 1125 CA CYS A 75 4.255 0.514 6.041 1.00 0.00 C ATOM 1126 C CYS A 75 5.069 -0.774 6.119 1.00 0.00 C ATOM 1127 O CYS A 75 6.214 -0.824 5.668 1.00 0.00 O ATOM 1128 CB CYS A 75 3.402 0.516 4.770 1.00 0.00 C ATOM 1129 SG CYS A 75 4.352 0.346 3.242 1.00 0.00 S ATOM 0 H CYS A 75 5.645 1.841 5.201 1.00 0.00 H new ATOM 0 HA CYS A 75 3.600 0.561 6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.680 -0.299 4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.832 1.444 4.729 1.00 0.00 H new ATOM 0 HG CYS A 75 5.198 1.328 3.145 1.00 0.00 H new ATOM 1135 N GLU A 76 4.471 -1.811 6.693 1.00 0.00 N ATOM 1136 CA GLU A 76 5.140 -3.099 6.828 1.00 0.00 C ATOM 1137 C GLU A 76 4.645 -4.081 5.771 1.00 0.00 C ATOM 1138 O GLU A 76 4.596 -5.289 6.006 1.00 0.00 O ATOM 1139 CB GLU A 76 4.907 -3.675 8.227 1.00 0.00 C ATOM 1140 CG GLU A 76 6.107 -4.421 8.787 1.00 0.00 C ATOM 1141 CD GLU A 76 5.736 -5.350 9.925 1.00 0.00 C ATOM 1142 OE1 GLU A 76 4.792 -6.151 9.754 1.00 0.00 O ATOM 1143 OE2 GLU A 76 6.389 -5.280 10.987 1.00 0.00 O ATOM 0 H GLU A 76 3.524 -1.785 7.072 1.00 0.00 H new ATOM 0 HA GLU A 76 6.209 -2.943 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.646 -2.863 8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.053 -4.351 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.576 -4.998 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.847 -3.701 9.137 1.00 0.00 H new ATOM 1150 N ALA A 77 4.280 -3.554 4.607 1.00 0.00 N ATOM 1151 CA ALA A 77 3.788 -4.384 3.515 1.00 0.00 C ATOM 1152 C ALA A 77 4.242 -3.841 2.163 1.00 0.00 C ATOM 1153 O ALA A 77 4.750 -2.724 2.071 1.00 0.00 O ATOM 1154 CB ALA A 77 2.270 -4.478 3.567 1.00 0.00 C ATOM 0 H ALA A 77 4.316 -2.557 4.396 1.00 0.00 H new ATOM 0 HA ALA A 77 4.207 -5.383 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.916 -5.101 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.965 -4.920 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.840 -3.480 3.477 1.00 0.00 H new ATOM 1160 N PRO A 78 4.062 -4.630 1.089 1.00 0.00 N ATOM 1161 CA PRO A 78 4.455 -4.227 -0.264 1.00 0.00 C ATOM 1162 C PRO A 78 3.502 -3.200 -0.866 1.00 0.00 C ATOM 1163 O PRO A 78 2.305 -3.452 -0.995 1.00 0.00 O ATOM 1164 CB PRO A 78 4.389 -5.537 -1.048 1.00 0.00 C ATOM 1165 CG PRO A 78 3.347 -6.336 -0.345 1.00 0.00 C ATOM 1166 CD PRO A 78 3.463 -5.979 1.112 1.00 0.00 C ATOM 0 HA PRO A 78 5.434 -3.747 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.121 -5.364 -2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.351 -6.050 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.353 -6.102 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.504 -7.404 -0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.490 -5.978 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.092 -6.688 1.650 1.00 0.00 H new ATOM 1174 N VAL A 79 4.043 -2.044 -1.235 1.00 0.00 N ATOM 1175 CA VAL A 79 3.241 -0.981 -1.826 1.00 0.00 C ATOM 1176 C VAL A 79 3.252 -1.076 -3.349 1.00 0.00 C ATOM 1177 O VAL A 79 4.315 -1.076 -3.968 1.00 0.00 O ATOM 1178 CB VAL A 79 3.750 0.412 -1.409 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.745 1.484 -1.796 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.041 0.460 0.085 1.00 0.00 C ATOM 0 H VAL A 79 5.033 -1.820 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 79 2.223 -1.110 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 79 4.682 0.607 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.121 2.461 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.596 1.470 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.796 1.290 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.399 1.454 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.129 0.240 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.803 -0.279 0.331 1.00 0.00 H new ATOM 1190 N VAL A 80 2.068 -1.161 -3.951 1.00 0.00 N ATOM 1191 CA VAL A 80 1.964 -1.261 -5.404 1.00 0.00 C ATOM 1192 C VAL A 80 0.851 -0.372 -5.945 1.00 0.00 C ATOM 1193 O VAL A 80 -0.270 -0.395 -5.443 1.00 0.00 O ATOM 1194 CB VAL A 80 1.692 -2.709 -5.852 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.958 -3.546 -5.769 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.580 -3.326 -5.018 1.00 0.00 C ATOM 0 H VAL A 80 1.174 -1.163 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 80 2.922 -0.930 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 80 1.368 -2.690 -6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.742 -4.565 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.722 -3.116 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.319 -3.558 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.402 -4.349 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.872 -3.330 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.332 -2.742 -5.139 1.00 0.00 H new ATOM 1206 N THR A 81 1.161 0.403 -6.979 1.00 0.00 N ATOM 1207 CA THR A 81 0.174 1.290 -7.590 1.00 0.00 C ATOM 1208 C THR A 81 -1.109 0.531 -7.922 1.00 0.00 C ATOM 1209 O THR A 81 -1.096 -0.690 -8.070 1.00 0.00 O ATOM 1210 CB THR A 81 0.742 1.925 -8.861 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.749 0.992 -9.926 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.154 2.442 -8.695 1.00 0.00 C ATOM 0 H THR A 81 2.084 0.436 -7.411 1.00 0.00 H new ATOM 0 HA THR A 81 -0.062 2.076 -6.872 1.00 0.00 H new ATOM 0 HB THR A 81 0.088 2.769 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.114 1.417 -10.730 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.494 2.879 -9.634 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.174 3.201 -7.913 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.813 1.619 -8.418 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.216 1.261 -8.033 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.507 0.649 -8.346 1.00 0.00 C ATOM 1222 C ARG A 82 -3.407 -0.269 -9.563 1.00 0.00 C ATOM 1223 O ARG A 82 -4.208 -1.190 -9.718 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.578 1.718 -8.588 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.093 2.918 -9.389 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.081 2.625 -10.880 1.00 0.00 C ATOM 1227 NE ARG A 82 -5.073 3.420 -11.602 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.897 4.696 -11.940 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -3.773 5.325 -11.622 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -5.849 5.343 -12.599 1.00 0.00 N ATOM 0 H ARG A 82 -2.247 2.273 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.797 0.049 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.419 1.262 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.952 2.066 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.738 3.774 -9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.090 3.193 -9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.089 2.831 -11.282 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.277 1.565 -11.043 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.951 2.971 -11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.038 4.831 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.644 6.302 -11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.714 4.863 -12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.716 6.320 -12.859 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.419 -0.018 -10.422 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.219 -0.830 -11.621 1.00 0.00 C ATOM 1246 C GLU A 83 -2.318 -2.316 -11.288 1.00 0.00 C ATOM 1247 O GLU A 83 -2.903 -3.093 -12.043 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.859 -0.523 -12.252 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.885 -0.501 -13.771 1.00 0.00 C ATOM 1250 CD GLU A 83 -1.185 0.877 -14.329 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -0.230 1.658 -14.529 1.00 0.00 O ATOM 1252 OE2 GLU A 83 -2.374 1.176 -14.564 1.00 0.00 O ATOM 0 H GLU A 83 -1.746 0.740 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.003 -0.581 -12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.509 0.443 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.137 -1.269 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.078 -0.842 -14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.636 -1.205 -14.128 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.762 -2.697 -10.145 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.807 -4.083 -9.699 1.00 0.00 C ATOM 1261 C TRP A 84 -3.250 -4.522 -9.520 1.00 0.00 C ATOM 1262 O TRP A 84 -3.708 -5.489 -10.127 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.067 -4.230 -8.370 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.076 -5.628 -7.828 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.318 -6.681 -8.253 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.887 -6.123 -6.757 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.608 -7.801 -7.511 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.569 -7.484 -6.586 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.853 -5.548 -5.926 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.182 -8.276 -5.617 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.460 -6.336 -4.966 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.123 -7.685 -4.817 1.00 0.00 C ATOM 0 H TRP A 84 -1.274 -2.065 -9.510 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.327 -4.708 -10.451 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.034 -3.907 -8.501 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.519 -3.562 -7.637 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.404 -6.640 -9.055 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.178 -8.718 -7.629 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.120 -4.507 -6.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.924 -9.318 -5.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.208 -5.902 -4.319 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.615 -8.272 -4.056 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.953 -3.784 -8.676 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.355 -4.057 -8.388 1.00 0.00 C ATOM 1285 C VAL A 85 -6.182 -4.113 -9.669 1.00 0.00 C ATOM 1286 O VAL A 85 -7.052 -4.970 -9.821 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.944 -2.988 -7.446 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.414 -3.260 -7.163 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.150 -2.923 -6.150 1.00 0.00 C ATOM 0 H VAL A 85 -3.572 -2.983 -8.173 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.399 -5.029 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.871 -2.021 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.804 -2.491 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.973 -3.247 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.519 -4.237 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.580 -2.163 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.187 -3.892 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.114 -2.667 -6.371 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.906 -3.194 -10.586 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.627 -3.139 -11.852 1.00 0.00 C ATOM 1301 C LEU A 86 -6.219 -4.295 -12.760 1.00 0.00 C ATOM 1302 O LEU A 86 -7.069 -5.011 -13.290 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.370 -1.803 -12.553 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.626 -1.011 -12.918 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -8.058 -0.129 -11.757 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.381 -0.173 -14.164 1.00 0.00 C ATOM 0 H LEU A 86 -5.189 -2.477 -10.477 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.693 -3.228 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.745 -1.186 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.801 -1.991 -13.463 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.430 -1.716 -13.129 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.953 0.427 -12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.273 -0.751 -10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.258 0.570 -11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.284 0.385 -14.411 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.564 0.524 -13.979 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.119 -0.826 -14.996 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.914 -4.469 -12.934 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.391 -5.537 -13.777 1.00 0.00 C ATOM 1320 C ASP A 87 -4.831 -6.903 -13.260 1.00 0.00 C ATOM 1321 O ASP A 87 -5.048 -7.832 -14.037 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.864 -5.468 -13.833 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.272 -6.497 -14.775 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.910 -6.795 -15.807 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.171 -7.008 -14.482 1.00 0.00 O ATOM 0 H ASP A 87 -4.199 -3.884 -12.502 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.792 -5.403 -14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.560 -4.471 -14.151 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.459 -5.620 -12.832 1.00 0.00 H new ATOM 1330 N SER A 88 -4.960 -7.017 -11.942 1.00 0.00 N ATOM 1331 CA SER A 88 -5.373 -8.271 -11.322 1.00 0.00 C ATOM 1332 C SER A 88 -6.875 -8.488 -11.472 1.00 0.00 C ATOM 1333 O SER A 88 -7.318 -9.571 -11.849 1.00 0.00 O ATOM 1334 CB SER A 88 -4.993 -8.288 -9.841 1.00 0.00 C ATOM 1335 OG SER A 88 -3.593 -8.149 -9.671 1.00 0.00 O ATOM 0 H SER A 88 -4.785 -6.258 -11.284 1.00 0.00 H new ATOM 0 HA SER A 88 -4.853 -9.081 -11.833 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.507 -7.480 -9.321 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.326 -9.222 -9.388 1.00 0.00 H new ATOM 0 HG SER A 88 -3.331 -7.223 -9.856 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.655 -7.456 -11.170 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.108 -7.541 -11.269 1.00 0.00 C ATOM 1343 C VAL A 89 -9.563 -7.588 -12.727 1.00 0.00 C ATOM 1344 O VAL A 89 -10.630 -8.121 -13.035 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.791 -6.355 -10.562 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.306 -6.481 -10.635 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.330 -6.262 -9.115 1.00 0.00 C ATOM 0 H VAL A 89 -7.306 -6.551 -10.855 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.404 -8.466 -10.773 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.503 -5.438 -11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.766 -5.632 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.620 -6.495 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.618 -7.406 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.822 -5.419 -8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.587 -7.183 -8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.250 -6.118 -9.086 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.753 -7.028 -13.619 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.080 -7.009 -15.040 1.00 0.00 C ATOM 1359 C ALA A 90 -9.042 -8.415 -15.632 1.00 0.00 C ATOM 1360 O ALA A 90 -10.036 -8.899 -16.173 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.125 -6.092 -15.788 1.00 0.00 C ATOM 0 H ALA A 90 -7.866 -6.582 -13.384 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.095 -6.626 -15.149 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.380 -6.087 -16.848 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.206 -5.080 -15.391 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.103 -6.450 -15.663 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.887 -9.062 -15.526 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.714 -10.412 -16.050 1.00 0.00 C ATOM 1369 C LEU A 91 -8.045 -11.466 -14.991 1.00 0.00 C ATOM 1370 O LEU A 91 -8.194 -12.646 -15.305 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.278 -10.603 -16.543 1.00 0.00 C ATOM 1372 CG LEU A 91 -5.933 -12.014 -17.020 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.753 -12.377 -18.248 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.446 -12.128 -17.316 1.00 0.00 C ATOM 0 H LEU A 91 -7.055 -8.673 -15.081 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.404 -10.540 -16.884 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.097 -9.906 -17.361 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.596 -10.333 -15.737 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.179 -12.717 -16.224 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.494 -13.385 -18.574 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.814 -12.336 -18.002 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.539 -11.671 -19.050 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.219 -13.139 -17.654 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.174 -11.415 -18.095 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.877 -11.912 -16.412 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.155 -11.033 -13.737 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.463 -11.940 -12.635 1.00 0.00 C ATOM 1388 C TYR A 92 -7.291 -12.878 -12.363 1.00 0.00 C ATOM 1389 O TYR A 92 -7.285 -14.027 -12.806 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.729 -12.749 -12.938 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.802 -12.625 -11.877 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.471 -12.490 -10.533 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.148 -12.643 -12.222 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.451 -12.378 -9.565 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.133 -12.530 -11.258 1.00 0.00 C ATOM 1396 CZ TYR A 92 -12.779 -12.399 -9.933 1.00 0.00 C ATOM 1397 OH TYR A 92 -13.757 -12.286 -8.971 1.00 0.00 O ATOM 0 H TYR A 92 -8.035 -10.059 -13.459 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.639 -11.339 -11.743 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.137 -12.422 -13.894 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.460 -13.799 -13.048 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.431 -12.472 -10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.429 -12.747 -13.260 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.178 -12.275 -8.525 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.175 -12.544 -11.542 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.367 -11.922 -8.149 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.298 -12.379 -11.633 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.119 -13.170 -11.300 1.00 0.00 C ATOM 1409 C GLN A 93 -4.131 -12.350 -10.474 1.00 0.00 C ATOM 1410 O GLN A 93 -3.774 -11.232 -10.844 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.440 -13.680 -12.574 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.429 -15.195 -12.691 1.00 0.00 C ATOM 1413 CD GLN A 93 -3.478 -15.691 -13.763 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -3.904 -16.141 -14.827 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -2.182 -15.611 -13.487 1.00 0.00 N ATOM 0 H GLN A 93 -6.287 -11.429 -11.261 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.442 -14.025 -10.705 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.950 -13.260 -13.441 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.414 -13.314 -12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.146 -15.628 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.437 -15.546 -12.914 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.874 -15.231 -12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.495 -15.930 -14.170 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.694 -12.914 -9.353 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.747 -12.236 -8.474 1.00 0.00 C ATOM 1426 C CYS A 94 -1.437 -11.951 -9.202 1.00 0.00 C ATOM 1427 O CYS A 94 -0.495 -12.741 -9.136 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.478 -13.085 -7.231 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.716 -12.175 -5.867 1.00 0.00 S ATOM 0 H CYS A 94 -3.980 -13.839 -9.031 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.187 -11.286 -8.170 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.419 -13.514 -6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.830 -13.917 -7.506 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.631 -11.518 -5.219 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.383 -10.818 -9.896 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.188 -10.430 -10.637 1.00 0.00 C ATOM 1437 C GLN A 95 0.955 -10.084 -9.687 1.00 0.00 C ATOM 1438 O GLN A 95 0.731 -9.774 -8.518 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.486 -9.235 -11.544 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.718 -9.422 -12.414 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.582 -10.587 -13.375 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.928 -11.722 -13.046 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.075 -10.311 -14.572 1.00 0.00 N ATOM 0 H GLN A 95 -2.153 -10.153 -9.960 1.00 0.00 H new ATOM 0 HA GLN A 95 0.115 -11.278 -11.251 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.619 -8.346 -10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.377 -9.052 -12.185 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.588 -9.581 -11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.901 -8.508 -12.980 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.802 -9.356 -14.802 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.959 -11.054 -15.261 1.00 0.00 H new ATOM 1452 N GLU A 96 2.180 -10.137 -10.201 1.00 0.00 N ATOM 1453 CA GLU A 96 3.358 -9.825 -9.397 1.00 0.00 C ATOM 1454 C GLU A 96 3.369 -8.351 -9.006 1.00 0.00 C ATOM 1455 O GLU A 96 3.269 -7.469 -9.858 1.00 0.00 O ATOM 1456 CB GLU A 96 4.641 -10.179 -10.156 1.00 0.00 C ATOM 1457 CG GLU A 96 4.612 -9.794 -11.628 1.00 0.00 C ATOM 1458 CD GLU A 96 5.985 -9.845 -12.270 1.00 0.00 C ATOM 1459 OE1 GLU A 96 6.831 -8.993 -11.929 1.00 0.00 O ATOM 1460 OE2 GLU A 96 6.213 -10.739 -13.113 1.00 0.00 O ATOM 0 H GLU A 96 2.383 -10.392 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 96 3.315 -10.425 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.484 -9.681 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.816 -11.252 -10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.940 -10.465 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.205 -8.788 -11.729 1.00 0.00 H new ATOM 1467 N LEU A 97 3.484 -8.094 -7.707 1.00 0.00 N ATOM 1468 CA LEU A 97 3.500 -6.730 -7.190 1.00 0.00 C ATOM 1469 C LEU A 97 4.744 -5.976 -7.651 1.00 0.00 C ATOM 1470 O LEU A 97 4.709 -4.761 -7.845 1.00 0.00 O ATOM 1471 CB LEU A 97 3.439 -6.749 -5.663 1.00 0.00 C ATOM 1472 CG LEU A 97 2.027 -6.757 -5.077 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.530 -8.185 -4.902 1.00 0.00 C ATOM 1474 CD2 LEU A 97 1.993 -6.011 -3.752 1.00 0.00 C ATOM 0 H LEU A 97 3.568 -8.815 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 97 2.625 -6.211 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.971 -7.630 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.970 -5.877 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 97 1.363 -6.246 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.523 -8.171 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.514 -8.686 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.196 -8.722 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.980 -6.028 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.671 -6.492 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.304 -4.978 -3.908 1.00 0.00 H new ATOM 1486 N ASP A 98 5.841 -6.703 -7.815 1.00 0.00 N ATOM 1487 CA ASP A 98 7.103 -6.107 -8.245 1.00 0.00 C ATOM 1488 C ASP A 98 6.937 -5.315 -9.543 1.00 0.00 C ATOM 1489 O ASP A 98 7.732 -4.424 -9.840 1.00 0.00 O ATOM 1490 CB ASP A 98 8.163 -7.193 -8.434 1.00 0.00 C ATOM 1491 CG ASP A 98 8.877 -7.535 -7.140 1.00 0.00 C ATOM 1492 OD1 ASP A 98 8.324 -8.328 -6.349 1.00 0.00 O ATOM 1493 OD2 ASP A 98 9.988 -7.011 -6.918 1.00 0.00 O ATOM 0 H ASP A 98 5.884 -7.710 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 98 7.425 -5.416 -7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.692 -8.091 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.893 -6.860 -9.172 1.00 0.00 H new ATOM 1498 N THR A 99 5.908 -5.649 -10.315 1.00 0.00 N ATOM 1499 CA THR A 99 5.651 -4.970 -11.582 1.00 0.00 C ATOM 1500 C THR A 99 5.049 -3.582 -11.365 1.00 0.00 C ATOM 1501 O THR A 99 5.096 -2.734 -12.256 1.00 0.00 O ATOM 1502 CB THR A 99 4.716 -5.813 -12.452 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.276 -7.092 -12.693 1.00 0.00 O ATOM 1504 CG2 THR A 99 4.415 -5.183 -13.795 1.00 0.00 C ATOM 0 H THR A 99 5.239 -6.384 -10.087 1.00 0.00 H new ATOM 0 HA THR A 99 6.607 -4.846 -12.091 1.00 0.00 H new ATOM 0 HB THR A 99 3.786 -5.887 -11.889 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.997 -7.260 -12.051 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.747 -5.833 -14.360 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.937 -4.215 -13.644 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.344 -5.047 -14.349 1.00 0.00 H new ATOM 1512 N TYR A 100 4.482 -3.353 -10.185 1.00 0.00 N ATOM 1513 CA TYR A 100 3.874 -2.063 -9.874 1.00 0.00 C ATOM 1514 C TYR A 100 4.282 -1.578 -8.486 1.00 0.00 C ATOM 1515 O TYR A 100 3.618 -0.725 -7.899 1.00 0.00 O ATOM 1516 CB TYR A 100 2.349 -2.162 -9.958 1.00 0.00 C ATOM 1517 CG TYR A 100 1.856 -2.914 -11.174 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.023 -2.393 -12.451 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.226 -4.145 -11.045 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.576 -3.077 -13.565 1.00 0.00 C ATOM 1521 CE2 TYR A 100 0.776 -4.835 -12.154 1.00 0.00 C ATOM 1522 CZ TYR A 100 0.952 -4.297 -13.411 1.00 0.00 C ATOM 1523 OH TYR A 100 0.505 -4.982 -14.518 1.00 0.00 O ATOM 0 H TYR A 100 4.430 -4.039 -9.432 1.00 0.00 H new ATOM 0 HA TYR A 100 4.232 -1.341 -10.608 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.976 -2.655 -9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.928 -1.157 -9.968 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.510 -1.437 -12.575 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.086 -4.570 -10.062 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.715 -2.659 -14.551 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.289 -5.792 -12.037 1.00 0.00 H new ATOM 0 HH TYR A 100 0.177 -5.865 -14.246 1.00 0.00 H new ATOM 1533 N LEU A 101 5.376 -2.124 -7.965 1.00 0.00 N ATOM 1534 CA LEU A 101 5.866 -1.742 -6.647 1.00 0.00 C ATOM 1535 C LEU A 101 6.778 -0.522 -6.736 1.00 0.00 C ATOM 1536 O LEU A 101 7.111 -0.061 -7.829 1.00 0.00 O ATOM 1537 CB LEU A 101 6.613 -2.912 -6.004 1.00 0.00 C ATOM 1538 CG LEU A 101 6.101 -3.334 -4.625 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.227 -4.839 -4.446 1.00 0.00 C ATOM 1540 CD2 LEU A 101 6.862 -2.602 -3.529 1.00 0.00 C ATOM 0 H LEU A 101 5.939 -2.832 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 101 5.008 -1.482 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.556 -3.770 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.666 -2.646 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 101 5.047 -3.066 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.858 -5.120 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.640 -5.347 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.273 -5.130 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.486 -2.913 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.923 -2.840 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.723 -1.527 -3.645 1.00 0.00 H new ATOM 1552 N ILE A 102 7.181 -0.005 -5.580 1.00 0.00 N ATOM 1553 CA ILE A 102 8.056 1.161 -5.526 1.00 0.00 C ATOM 1554 C ILE A 102 9.383 0.884 -6.232 1.00 0.00 C ATOM 1555 O ILE A 102 10.200 0.104 -5.745 1.00 0.00 O ATOM 1556 CB ILE A 102 8.341 1.583 -4.071 1.00 0.00 C ATOM 1557 CG1 ILE A 102 7.034 1.733 -3.290 1.00 0.00 C ATOM 1558 CG2 ILE A 102 9.132 2.884 -4.041 1.00 0.00 C ATOM 1559 CD1 ILE A 102 7.102 1.174 -1.886 1.00 0.00 C ATOM 0 H ILE A 102 6.916 -0.375 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 102 7.536 1.972 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 102 8.938 0.804 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.769 2.789 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.235 1.230 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.325 3.169 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.079 2.746 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.558 3.670 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.141 1.315 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.336 0.110 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.878 1.694 -1.325 1.00 0.00 H new ATOM 1571 N PRO A 103 9.618 1.521 -7.396 1.00 0.00 N ATOM 1572 CA PRO A 103 10.856 1.330 -8.160 1.00 0.00 C ATOM 1573 C PRO A 103 12.098 1.654 -7.339 1.00 0.00 C ATOM 1574 O PRO A 103 12.924 0.782 -7.069 1.00 0.00 O ATOM 1575 CB PRO A 103 10.717 2.311 -9.330 1.00 0.00 C ATOM 1576 CG PRO A 103 9.253 2.559 -9.452 1.00 0.00 C ATOM 1577 CD PRO A 103 8.703 2.468 -8.057 1.00 0.00 C ATOM 0 HA PRO A 103 10.982 0.293 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 103 11.259 3.236 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.124 1.890 -10.249 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.058 3.540 -9.886 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.785 1.823 -10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.701 3.439 -7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.675 2.105 -8.052 1.00 0.00 H new ATOM 1585 N GLN A 104 12.222 2.914 -6.945 1.00 0.00 N ATOM 1586 CA GLN A 104 13.362 3.364 -6.153 1.00 0.00 C ATOM 1587 C GLN A 104 14.676 3.055 -6.864 1.00 0.00 C ATOM 1588 O GLN A 104 15.267 1.995 -6.665 1.00 0.00 O ATOM 1589 CB GLN A 104 13.344 2.700 -4.775 1.00 0.00 C ATOM 1590 CG GLN A 104 13.736 3.638 -3.643 1.00 0.00 C ATOM 1591 CD GLN A 104 15.057 3.261 -3.001 1.00 0.00 C ATOM 1592 OE1 GLN A 104 15.809 2.446 -3.535 1.00 0.00 O ATOM 1593 NE2 GLN A 104 15.345 3.854 -1.848 1.00 0.00 N ATOM 0 H GLN A 104 11.545 3.646 -7.161 1.00 0.00 H new ATOM 0 HA GLN A 104 13.284 4.444 -6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.345 2.309 -4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 104 14.024 1.848 -4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.801 4.656 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 104 12.953 3.632 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.692 4.524 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.220 3.640 -1.369 1.00 0.00 H new ATOM 1602 N ILE A 105 15.127 3.990 -7.695 1.00 0.00 N ATOM 1603 CA ILE A 105 16.371 3.817 -8.436 1.00 0.00 C ATOM 1604 C ILE A 105 17.148 5.127 -8.520 1.00 0.00 C ATOM 1605 O ILE A 105 16.572 6.210 -8.412 1.00 0.00 O ATOM 1606 CB ILE A 105 16.106 3.299 -9.863 1.00 0.00 C ATOM 1607 CG1 ILE A 105 14.992 4.109 -10.528 1.00 0.00 C ATOM 1608 CG2 ILE A 105 15.748 1.821 -9.831 1.00 0.00 C ATOM 1609 CD1 ILE A 105 15.242 4.392 -11.993 1.00 0.00 C ATOM 0 H ILE A 105 14.650 4.874 -7.872 1.00 0.00 H new ATOM 0 HA ILE A 105 16.963 3.081 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 105 17.015 3.421 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 105 14.051 3.569 -10.426 1.00 0.00 H new ATOM 0 HG13 ILE A 105 14.876 5.055 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 105 15.564 1.469 -10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 105 16.572 1.256 -9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 105 14.851 1.677 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 105 14.412 4.970 -12.399 1.00 0.00 H new ATOM 0 HD12 ILE A 105 16.166 4.960 -12.101 1.00 0.00 H new ATOM 0 HD13 ILE A 105 15.328 3.451 -12.536 1.00 0.00 H new ATOM 1621 N PRO A 106 18.476 5.048 -8.717 1.00 0.00 N ATOM 1622 CA PRO A 106 19.334 6.234 -8.817 1.00 0.00 C ATOM 1623 C PRO A 106 18.955 7.120 -10.000 1.00 0.00 C ATOM 1624 O PRO A 106 18.386 6.648 -10.984 1.00 0.00 O ATOM 1625 CB PRO A 106 20.740 5.655 -9.011 1.00 0.00 C ATOM 1626 CG PRO A 106 20.524 4.262 -9.495 1.00 0.00 C ATOM 1627 CD PRO A 106 19.245 3.800 -8.860 1.00 0.00 C ATOM 0 HA PRO A 106 19.245 6.872 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 106 21.310 6.239 -9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 106 21.303 5.665 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.453 4.233 -10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.356 3.617 -9.212 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.724 3.074 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 106 19.422 3.323 -7.896 1.00 0.00 H new ATOM 1635 N HIS A 107 19.272 8.406 -9.895 1.00 0.00 N ATOM 1636 CA HIS A 107 18.963 9.359 -10.955 1.00 0.00 C ATOM 1637 C HIS A 107 17.457 9.446 -11.183 1.00 0.00 C ATOM 1638 O HIS A 107 16.672 8.842 -10.454 1.00 0.00 O ATOM 1639 CB HIS A 107 19.669 8.957 -12.253 1.00 0.00 C ATOM 1640 CG HIS A 107 20.835 9.833 -12.594 1.00 0.00 C ATOM 1641 ND1 HIS A 107 21.102 10.264 -13.878 1.00 0.00 N ATOM 1642 CD2 HIS A 107 21.807 10.360 -11.813 1.00 0.00 C ATOM 1643 CE1 HIS A 107 22.188 11.017 -13.870 1.00 0.00 C ATOM 1644 NE2 HIS A 107 22.634 11.092 -12.630 1.00 0.00 N ATOM 0 H HIS A 107 19.743 8.813 -9.087 1.00 0.00 H new ATOM 0 HA HIS A 107 19.322 10.341 -10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 107 20.012 7.926 -12.167 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.951 8.986 -13.072 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.913 10.229 -10.746 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.635 11.491 -14.732 1.00 0.00 H new ATOM 0 HE2 HIS A 107 23.459 11.610 -12.327 1.00 0.00 H new ATOM 1653 N SER A 108 17.061 10.203 -12.202 1.00 0.00 N ATOM 1654 CA SER A 108 15.649 10.368 -12.525 1.00 0.00 C ATOM 1655 C SER A 108 15.461 10.664 -14.009 1.00 0.00 C ATOM 1656 O SER A 108 14.762 9.936 -14.715 1.00 0.00 O ATOM 1657 CB SER A 108 15.042 11.496 -11.688 1.00 0.00 C ATOM 1658 OG SER A 108 13.635 11.553 -11.852 1.00 0.00 O ATOM 0 H SER A 108 17.697 10.711 -12.817 1.00 0.00 H new ATOM 0 HA SER A 108 15.137 9.434 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.283 11.342 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 108 15.484 12.448 -11.980 1.00 0.00 H new ATOM 0 HG SER A 108 13.417 12.139 -12.607 1.00 0.00 H new ATOM 1664 N HIS A 109 16.087 11.739 -14.477 1.00 0.00 N ATOM 1665 CA HIS A 109 15.990 12.133 -15.877 1.00 0.00 C ATOM 1666 C HIS A 109 17.354 12.078 -16.556 1.00 0.00 C ATOM 1667 O HIS A 109 18.268 12.820 -16.195 1.00 0.00 O ATOM 1668 CB HIS A 109 15.405 13.542 -15.994 1.00 0.00 C ATOM 1669 CG HIS A 109 13.936 13.604 -15.713 1.00 0.00 C ATOM 1670 ND1 HIS A 109 13.413 13.655 -14.439 1.00 0.00 N ATOM 1671 CD2 HIS A 109 12.874 13.626 -16.554 1.00 0.00 C ATOM 1672 CE1 HIS A 109 12.095 13.704 -14.507 1.00 0.00 C ATOM 1673 NE2 HIS A 109 11.743 13.688 -15.779 1.00 0.00 N ATOM 0 H HIS A 109 16.668 12.353 -13.906 1.00 0.00 H new ATOM 0 HA HIS A 109 15.327 11.429 -16.380 1.00 0.00 H new ATOM 0 HB2 HIS A 109 15.927 14.202 -15.302 1.00 0.00 H new ATOM 0 HB3 HIS A 109 15.591 13.922 -16.999 1.00 0.00 H new ATOM 0 HD2 HIS A 109 12.911 13.600 -17.633 1.00 0.00 H new ATOM 0 HE1 HIS A 109 11.420 13.749 -13.665 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.785 13.717 -16.129 1.00 0.00 H new ATOM 1682 N TYR A 110 17.486 11.194 -17.539 1.00 0.00 N ATOM 1683 CA TYR A 110 18.740 11.043 -18.268 1.00 0.00 C ATOM 1684 C TYR A 110 18.488 10.531 -19.683 1.00 0.00 C ATOM 1685 O TYR A 110 19.476 10.265 -20.399 1.00 0.00 O ATOM 1686 CB TYR A 110 19.674 10.085 -17.525 1.00 0.00 C ATOM 1687 CG TYR A 110 19.132 8.678 -17.410 1.00 0.00 C ATOM 1688 CD1 TYR A 110 18.023 8.403 -16.619 1.00 0.00 C ATOM 1689 CD2 TYR A 110 19.730 7.625 -18.091 1.00 0.00 C ATOM 1690 CE1 TYR A 110 17.526 7.118 -16.510 1.00 0.00 C ATOM 1691 CE2 TYR A 110 19.238 6.338 -17.988 1.00 0.00 C ATOM 1692 CZ TYR A 110 18.136 6.090 -17.196 1.00 0.00 C ATOM 1693 OH TYR A 110 17.643 4.809 -17.090 1.00 0.00 O ATOM 1694 OXT TYR A 110 17.305 10.400 -20.062 1.00 0.00 O ATOM 0 H TYR A 110 16.740 10.571 -17.849 1.00 0.00 H new ATOM 0 HA TYR A 110 19.214 12.023 -18.334 1.00 0.00 H new ATOM 0 HB2 TYR A 110 20.634 10.054 -18.040 1.00 0.00 H new ATOM 0 HB3 TYR A 110 19.861 10.476 -16.525 1.00 0.00 H new ATOM 0 HD1 TYR A 110 17.542 9.206 -16.081 1.00 0.00 H new ATOM 0 HD2 TYR A 110 20.594 7.816 -18.711 1.00 0.00 H new ATOM 0 HE1 TYR A 110 16.664 6.920 -15.890 1.00 0.00 H new ATOM 0 HE2 TYR A 110 19.714 5.530 -18.525 1.00 0.00 H new ATOM 0 HH TYR A 110 18.186 4.203 -17.636 1.00 0.00 H new TER 1704 TYR A 110