USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 582 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 57 THR OG1 : rot 180:sc= 0.222 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -0.238 F(o=-2,f=-0.016) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.152 K(o=-0.19,f=-2.7!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -0.0415 USER MOD Set 3.1: A 5 GLN :FLIP amide:sc= 0.899 F(o=-0.56,f=1.9) USER MOD Set 3.2: A 35 THR OG1 : rot -144:sc= 1.04 USER MOD Set 4.1: A 16 THR OG1 : rot 34:sc= 0.0505 USER MOD Set 4.2: A 20 CYS SG : rot 87:sc= 0.0707 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.102 USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0.655 (180deg=0.519) USER MOD Single : A 10 MET CE :methyl 152:sc= 0 (180deg=-1.28) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.136 F(o=-2.7!,f=-0.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -178:sc= -0.377 (180deg=-0.38) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.148 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0271) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.08) USER MOD Single : A 31 MET CE :methyl 170:sc= -0.253 (180deg=-0.337) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 47 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.24) USER MOD Single : A 50 TYR OH : rot 170:sc= 0.0441 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.234!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0358 F(o=-1.1,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.111 -0.266 -26.011 1.00 4.99 N ATOM 2 CA MET A 1 9.921 0.703 -25.252 1.00 4.65 C ATOM 3 C MET A 1 9.028 1.864 -24.809 1.00 3.59 C ATOM 4 O MET A 1 9.010 2.902 -25.460 1.00 3.99 O ATOM 5 CB MET A 1 11.100 1.214 -26.096 1.00 6.02 C ATOM 6 CG MET A 1 12.225 0.188 -26.272 1.00 7.33 C ATOM 7 SD MET A 1 13.567 0.783 -27.334 1.00 9.06 S ATOM 8 CE MET A 1 14.730 -0.589 -27.189 1.00 10.56 C ATOM 0 H1 MET A 1 9.712 -1.058 -26.315 1.00 4.99 H new ATOM 0 H2 MET A 1 8.344 -0.625 -25.408 1.00 4.99 H new ATOM 0 H3 MET A 1 8.704 0.201 -26.847 1.00 4.99 H new ATOM 0 HA MET A 1 10.337 0.211 -24.373 1.00 4.65 H new ATOM 0 HB2 MET A 1 10.731 1.507 -27.079 1.00 6.02 H new ATOM 0 HB3 MET A 1 11.508 2.110 -25.628 1.00 6.02 H new ATOM 0 HG2 MET A 1 12.631 -0.070 -25.294 1.00 7.33 H new ATOM 0 HG3 MET A 1 11.812 -0.727 -26.697 1.00 7.33 H new ATOM 0 HE1 MET A 1 15.617 -0.379 -27.787 1.00 10.56 H new ATOM 0 HE2 MET A 1 15.018 -0.713 -26.145 1.00 10.56 H new ATOM 0 HE3 MET A 1 14.259 -1.505 -27.547 1.00 10.56 H new ATOM 20 N LEU A 2 8.255 1.665 -23.738 1.00 3.16 N ATOM 21 CA LEU A 2 7.380 2.683 -23.177 1.00 2.85 C ATOM 22 C LEU A 2 6.947 2.180 -21.802 1.00 2.29 C ATOM 23 O LEU A 2 6.378 1.094 -21.719 1.00 2.41 O ATOM 24 CB LEU A 2 6.162 2.899 -24.095 1.00 3.40 C ATOM 25 CG LEU A 2 5.243 4.048 -23.648 1.00 4.63 C ATOM 26 CD1 LEU A 2 5.934 5.411 -23.785 1.00 6.06 C ATOM 27 CD2 LEU A 2 3.977 4.044 -24.512 1.00 5.47 C ATOM 0 H LEU A 2 8.223 0.779 -23.234 1.00 3.16 H new ATOM 0 HA LEU A 2 7.890 3.642 -23.090 1.00 2.85 H new ATOM 0 HB2 LEU A 2 6.513 3.100 -25.107 1.00 3.40 H new ATOM 0 HB3 LEU A 2 5.582 1.977 -24.136 1.00 3.40 H new ATOM 0 HG LEU A 2 4.996 3.894 -22.598 1.00 4.63 H new ATOM 0 HD11 LEU A 2 5.254 6.198 -23.460 1.00 6.06 H new ATOM 0 HD12 LEU A 2 6.831 5.428 -23.166 1.00 6.06 H new ATOM 0 HD13 LEU A 2 6.209 5.577 -24.827 1.00 6.06 H new ATOM 0 HD21 LEU A 2 3.321 4.857 -24.200 1.00 5.47 H new ATOM 0 HD22 LEU A 2 4.250 4.180 -25.558 1.00 5.47 H new ATOM 0 HD23 LEU A 2 3.458 3.093 -24.393 1.00 5.47 H new ATOM 39 N SER A 3 7.251 2.918 -20.736 1.00 2.31 N ATOM 40 CA SER A 3 6.710 2.665 -19.413 1.00 1.83 C ATOM 41 C SER A 3 5.356 3.369 -19.309 1.00 1.33 C ATOM 42 O SER A 3 5.144 4.410 -19.930 1.00 1.48 O ATOM 43 CB SER A 3 7.700 3.197 -18.368 1.00 2.16 C ATOM 44 OG SER A 3 8.321 4.377 -18.856 1.00 3.44 O ATOM 0 H SER A 3 7.887 3.715 -20.773 1.00 2.31 H new ATOM 0 HA SER A 3 6.566 1.599 -19.236 1.00 1.83 H new ATOM 0 HB2 SER A 3 7.180 3.408 -17.434 1.00 2.16 H new ATOM 0 HB3 SER A 3 8.454 2.441 -18.149 1.00 2.16 H new ATOM 0 HG SER A 3 8.951 4.716 -18.186 1.00 3.44 H new ATOM 50 N GLU A 4 4.444 2.801 -18.522 1.00 0.97 N ATOM 51 CA GLU A 4 3.206 3.414 -18.112 1.00 0.60 C ATOM 52 C GLU A 4 2.973 2.899 -16.698 1.00 0.59 C ATOM 53 O GLU A 4 3.263 1.735 -16.423 1.00 0.92 O ATOM 54 CB GLU A 4 2.079 3.015 -19.068 1.00 0.71 C ATOM 55 CG GLU A 4 0.760 3.616 -18.584 1.00 1.73 C ATOM 56 CD GLU A 4 -0.337 3.520 -19.636 1.00 2.10 C ATOM 57 OE1 GLU A 4 -0.149 4.140 -20.705 1.00 2.64 O ATOM 58 OE2 GLU A 4 -1.337 2.826 -19.354 1.00 2.92 O ATOM 0 H GLU A 4 4.564 1.862 -18.143 1.00 0.97 H new ATOM 0 HA GLU A 4 3.238 4.503 -18.133 1.00 0.60 H new ATOM 0 HB2 GLU A 4 2.302 3.366 -20.076 1.00 0.71 H new ATOM 0 HB3 GLU A 4 1.999 1.929 -19.119 1.00 0.71 H new ATOM 0 HG2 GLU A 4 0.439 3.101 -17.679 1.00 1.73 H new ATOM 0 HG3 GLU A 4 0.915 4.662 -18.318 1.00 1.73 H new ATOM 65 N GLN A 5 2.497 3.771 -15.812 1.00 0.37 N ATOM 66 CA GLN A 5 2.247 3.449 -14.421 1.00 0.32 C ATOM 67 C GLN A 5 0.747 3.422 -14.158 1.00 0.33 C ATOM 68 O GLN A 5 -0.035 3.863 -14.998 1.00 0.38 O ATOM 69 CB GLN A 5 2.977 4.447 -13.522 1.00 0.32 C ATOM 70 CG GLN A 5 2.462 5.891 -13.640 1.00 0.31 C ATOM 71 CD GLN A 5 3.207 6.846 -12.711 1.00 0.37 C ATOM 72 OE1 GLN A 5 3.566 6.383 -11.518 1.00 0.69 O flip ATOM 73 NE2 GLN A 5 3.442 8.000 -13.054 1.00 0.42 N flip ATOM 0 H GLN A 5 2.272 4.737 -16.051 1.00 0.37 H new ATOM 0 HA GLN A 5 2.635 2.457 -14.191 1.00 0.32 H new ATOM 0 HB2 GLN A 5 2.883 4.123 -12.486 1.00 0.32 H new ATOM 0 HB3 GLN A 5 4.039 4.430 -13.766 1.00 0.32 H new ATOM 0 HG2 GLN A 5 2.570 6.231 -14.670 1.00 0.31 H new ATOM 0 HG3 GLN A 5 1.398 5.916 -13.406 1.00 0.31 H new ATOM 0 HE21 GLN A 5 3.154 8.327 -13.976 1.00 0.42 H new ATOM 0 HE22 GLN A 5 3.925 8.633 -12.417 1.00 0.42 H new ATOM 82 N LYS A 6 0.336 2.937 -12.984 1.00 0.31 N ATOM 83 CA LYS A 6 -1.067 2.951 -12.619 1.00 0.35 C ATOM 84 C LYS A 6 -1.248 3.118 -11.120 1.00 0.34 C ATOM 85 O LYS A 6 -0.361 2.837 -10.317 1.00 0.31 O ATOM 86 CB LYS A 6 -1.782 1.672 -13.098 1.00 0.38 C ATOM 87 CG LYS A 6 -2.571 1.893 -14.395 1.00 0.66 C ATOM 88 CD LYS A 6 -3.694 0.856 -14.583 1.00 1.22 C ATOM 89 CE LYS A 6 -5.048 1.242 -13.941 1.00 1.71 C ATOM 90 NZ LYS A 6 -5.134 1.049 -12.473 1.00 3.22 N ATOM 0 H LYS A 6 0.955 2.535 -12.281 1.00 0.31 H new ATOM 0 HA LYS A 6 -1.519 3.808 -13.118 1.00 0.35 H new ATOM 0 HB2 LYS A 6 -1.045 0.884 -13.254 1.00 0.38 H new ATOM 0 HB3 LYS A 6 -2.460 1.325 -12.318 1.00 0.38 H new ATOM 0 HG2 LYS A 6 -3.002 2.894 -14.389 1.00 0.66 H new ATOM 0 HG3 LYS A 6 -1.890 1.845 -15.244 1.00 0.66 H new ATOM 0 HD2 LYS A 6 -3.847 0.696 -15.650 1.00 1.22 H new ATOM 0 HD3 LYS A 6 -3.366 -0.094 -14.162 1.00 1.22 H new ATOM 0 HE2 LYS A 6 -5.252 2.289 -14.165 1.00 1.71 H new ATOM 0 HE3 LYS A 6 -5.836 0.656 -14.414 1.00 1.71 H new ATOM 0 HZ1 LYS A 6 -6.038 1.429 -12.125 1.00 3.22 H new ATOM 0 HZ2 LYS A 6 -5.077 0.034 -12.252 1.00 3.22 H new ATOM 0 HZ3 LYS A 6 -4.348 1.548 -12.011 1.00 3.22 H new ATOM 104 N GLU A 7 -2.476 3.511 -10.793 1.00 0.36 N ATOM 105 CA GLU A 7 -3.056 3.450 -9.473 1.00 0.35 C ATOM 106 C GLU A 7 -3.550 2.025 -9.246 1.00 0.43 C ATOM 107 O GLU A 7 -3.944 1.344 -10.196 1.00 0.80 O ATOM 108 CB GLU A 7 -4.183 4.494 -9.373 1.00 0.40 C ATOM 109 CG GLU A 7 -5.266 4.434 -10.473 1.00 0.49 C ATOM 110 CD GLU A 7 -6.409 3.484 -10.146 1.00 2.03 C ATOM 111 OE1 GLU A 7 -7.116 3.765 -9.159 1.00 2.90 O ATOM 112 OE2 GLU A 7 -6.557 2.499 -10.909 1.00 3.34 O ATOM 0 H GLU A 7 -3.119 3.899 -11.484 1.00 0.36 H new ATOM 0 HA GLU A 7 -2.330 3.687 -8.695 1.00 0.35 H new ATOM 0 HB2 GLU A 7 -4.671 4.380 -8.405 1.00 0.40 H new ATOM 0 HB3 GLU A 7 -3.733 5.487 -9.389 1.00 0.40 H new ATOM 0 HG2 GLU A 7 -5.669 5.434 -10.630 1.00 0.49 H new ATOM 0 HG3 GLU A 7 -4.804 4.125 -11.411 1.00 0.49 H new ATOM 119 N ILE A 8 -3.480 1.567 -8.001 1.00 0.32 N ATOM 120 CA ILE A 8 -4.159 0.383 -7.516 1.00 0.34 C ATOM 121 C ILE A 8 -4.828 0.806 -6.206 1.00 0.27 C ATOM 122 O ILE A 8 -4.379 1.772 -5.582 1.00 0.30 O ATOM 123 CB ILE A 8 -3.141 -0.769 -7.346 1.00 0.44 C ATOM 124 CG1 ILE A 8 -3.692 -2.114 -7.842 1.00 0.69 C ATOM 125 CG2 ILE A 8 -2.681 -0.926 -5.896 1.00 0.49 C ATOM 126 CD1 ILE A 8 -3.577 -2.216 -9.364 1.00 1.43 C ATOM 0 H ILE A 8 -2.927 2.031 -7.280 1.00 0.32 H new ATOM 0 HA ILE A 8 -4.913 0.002 -8.205 1.00 0.34 H new ATOM 0 HB ILE A 8 -2.286 -0.490 -7.961 1.00 0.44 H new ATOM 0 HG12 ILE A 8 -3.143 -2.932 -7.375 1.00 0.69 H new ATOM 0 HG13 ILE A 8 -4.735 -2.218 -7.543 1.00 0.69 H new ATOM 0 HG21 ILE A 8 -1.967 -1.747 -5.828 1.00 0.49 H new ATOM 0 HG22 ILE A 8 -2.206 -0.003 -5.563 1.00 0.49 H new ATOM 0 HG23 ILE A 8 -3.542 -1.140 -5.262 1.00 0.49 H new ATOM 0 HD11 ILE A 8 -3.973 -3.176 -9.695 1.00 1.43 H new ATOM 0 HD12 ILE A 8 -4.146 -1.410 -9.827 1.00 1.43 H new ATOM 0 HD13 ILE A 8 -2.530 -2.135 -9.656 1.00 1.43 H new ATOM 138 N ALA A 9 -5.863 0.076 -5.782 1.00 0.26 N ATOM 139 CA ALA A 9 -6.523 0.266 -4.500 1.00 0.33 C ATOM 140 C ALA A 9 -6.919 -1.093 -3.936 1.00 0.39 C ATOM 141 O ALA A 9 -7.243 -1.988 -4.713 1.00 0.58 O ATOM 142 CB ALA A 9 -7.738 1.183 -4.660 1.00 0.37 C ATOM 0 H ALA A 9 -6.269 -0.678 -6.336 1.00 0.26 H new ATOM 0 HA ALA A 9 -5.841 0.748 -3.800 1.00 0.33 H new ATOM 0 HB1 ALA A 9 -8.223 1.317 -3.693 1.00 0.37 H new ATOM 0 HB2 ALA A 9 -7.415 2.152 -5.041 1.00 0.37 H new ATOM 0 HB3 ALA A 9 -8.443 0.734 -5.360 1.00 0.37 H new ATOM 148 N MET A 10 -6.842 -1.264 -2.613 1.00 0.29 N ATOM 149 CA MET A 10 -7.217 -2.504 -1.944 1.00 0.30 C ATOM 150 C MET A 10 -7.545 -2.244 -0.472 1.00 0.34 C ATOM 151 O MET A 10 -7.249 -1.160 0.034 1.00 0.37 O ATOM 152 CB MET A 10 -6.092 -3.529 -2.087 1.00 0.38 C ATOM 153 CG MET A 10 -4.754 -2.950 -1.618 1.00 0.41 C ATOM 154 SD MET A 10 -3.669 -2.315 -2.908 1.00 1.31 S ATOM 155 CE MET A 10 -2.530 -1.331 -1.919 1.00 1.20 C ATOM 0 H MET A 10 -6.515 -0.538 -1.975 1.00 0.29 H new ATOM 0 HA MET A 10 -8.114 -2.907 -2.415 1.00 0.30 H new ATOM 0 HB2 MET A 10 -6.331 -4.419 -1.504 1.00 0.38 H new ATOM 0 HB3 MET A 10 -6.011 -3.842 -3.128 1.00 0.38 H new ATOM 0 HG2 MET A 10 -4.957 -2.144 -0.913 1.00 0.41 H new ATOM 0 HG3 MET A 10 -4.218 -3.725 -1.070 1.00 0.41 H new ATOM 0 HE1 MET A 10 -1.563 -1.282 -2.419 1.00 1.20 H new ATOM 0 HE2 MET A 10 -2.928 -0.323 -1.800 1.00 1.20 H new ATOM 0 HE3 MET A 10 -2.409 -1.791 -0.938 1.00 1.20 H new ATOM 165 N GLN A 11 -8.106 -3.244 0.222 1.00 0.38 N ATOM 166 CA GLN A 11 -8.389 -3.129 1.646 1.00 0.33 C ATOM 167 C GLN A 11 -7.161 -3.596 2.419 1.00 0.32 C ATOM 168 O GLN A 11 -6.362 -4.388 1.908 1.00 0.41 O ATOM 169 CB GLN A 11 -9.679 -3.839 2.114 1.00 0.36 C ATOM 170 CG GLN A 11 -10.723 -4.175 1.039 1.00 0.52 C ATOM 171 CD GLN A 11 -10.370 -5.497 0.370 1.00 1.12 C ATOM 172 OE1 GLN A 11 -9.775 -5.438 -0.813 1.00 2.32 O flip ATOM 173 NE2 GLN A 11 -10.573 -6.560 0.944 1.00 0.76 N flip ATOM 0 H GLN A 11 -8.370 -4.140 -0.187 1.00 0.38 H new ATOM 0 HA GLN A 11 -8.594 -2.079 1.854 1.00 0.33 H new ATOM 0 HB2 GLN A 11 -9.393 -4.767 2.610 1.00 0.36 H new ATOM 0 HB3 GLN A 11 -10.157 -3.210 2.865 1.00 0.36 H new ATOM 0 HG2 GLN A 11 -11.714 -4.238 1.489 1.00 0.52 H new ATOM 0 HG3 GLN A 11 -10.761 -3.379 0.295 1.00 0.52 H new ATOM 0 HE21 GLN A 11 -11.034 -6.568 1.854 1.00 0.76 H new ATOM 0 HE22 GLN A 11 -10.281 -7.437 0.512 1.00 0.76 H new ATOM 182 N VAL A 12 -7.014 -3.107 3.649 1.00 0.35 N ATOM 183 CA VAL A 12 -5.957 -3.541 4.551 1.00 0.35 C ATOM 184 C VAL A 12 -6.602 -4.203 5.758 1.00 0.41 C ATOM 185 O VAL A 12 -7.787 -4.004 6.018 1.00 0.67 O ATOM 186 CB VAL A 12 -5.035 -2.373 4.955 1.00 0.41 C ATOM 187 CG1 VAL A 12 -3.624 -2.874 5.284 1.00 0.42 C ATOM 188 CG2 VAL A 12 -4.890 -1.356 3.823 1.00 0.46 C ATOM 0 H VAL A 12 -7.628 -2.396 4.046 1.00 0.35 H new ATOM 0 HA VAL A 12 -5.315 -4.262 4.044 1.00 0.35 H new ATOM 0 HB VAL A 12 -5.497 -1.909 5.827 1.00 0.41 H new ATOM 0 HG11 VAL A 12 -2.995 -2.030 5.566 1.00 0.42 H new ATOM 0 HG12 VAL A 12 -3.673 -3.582 6.111 1.00 0.42 H new ATOM 0 HG13 VAL A 12 -3.200 -3.367 4.409 1.00 0.42 H new ATOM 0 HG21 VAL A 12 -4.234 -0.547 4.143 1.00 0.46 H new ATOM 0 HG22 VAL A 12 -4.463 -1.845 2.947 1.00 0.46 H new ATOM 0 HG23 VAL A 12 -5.870 -0.950 3.571 1.00 0.46 H new ATOM 198 N SER A 13 -5.821 -4.997 6.484 1.00 0.36 N ATOM 199 CA SER A 13 -6.214 -5.636 7.719 1.00 0.42 C ATOM 200 C SER A 13 -5.163 -5.279 8.776 1.00 0.46 C ATOM 201 O SER A 13 -3.966 -5.333 8.492 1.00 0.65 O ATOM 202 CB SER A 13 -6.351 -7.139 7.438 1.00 0.68 C ATOM 203 OG SER A 13 -7.110 -7.781 8.445 1.00 0.79 O ATOM 0 H SER A 13 -4.863 -5.216 6.211 1.00 0.36 H new ATOM 0 HA SER A 13 -7.176 -5.299 8.105 1.00 0.42 H new ATOM 0 HB2 SER A 13 -6.827 -7.288 6.469 1.00 0.68 H new ATOM 0 HB3 SER A 13 -5.361 -7.592 7.380 1.00 0.68 H new ATOM 0 HG SER A 13 -7.183 -8.737 8.240 1.00 0.79 H new ATOM 209 N GLY A 14 -5.608 -4.875 9.971 1.00 0.44 N ATOM 210 CA GLY A 14 -4.751 -4.600 11.122 1.00 0.64 C ATOM 211 C GLY A 14 -4.681 -3.115 11.497 1.00 0.75 C ATOM 212 O GLY A 14 -4.391 -2.794 12.646 1.00 1.36 O ATOM 0 H GLY A 14 -6.598 -4.728 10.166 1.00 0.44 H new ATOM 0 HA2 GLY A 14 -5.116 -5.165 11.979 1.00 0.64 H new ATOM 0 HA3 GLY A 14 -3.744 -4.960 10.909 1.00 0.64 H new ATOM 216 N MET A 15 -4.918 -2.206 10.544 1.00 0.72 N ATOM 217 CA MET A 15 -4.927 -0.767 10.764 1.00 0.83 C ATOM 218 C MET A 15 -5.781 -0.342 11.968 1.00 0.89 C ATOM 219 O MET A 15 -6.862 -0.883 12.189 1.00 0.90 O ATOM 220 CB MET A 15 -5.395 -0.040 9.492 1.00 1.07 C ATOM 221 CG MET A 15 -6.849 -0.304 9.064 1.00 0.94 C ATOM 222 SD MET A 15 -7.218 -1.931 8.365 1.00 2.64 S ATOM 223 CE MET A 15 -8.920 -1.642 7.866 1.00 3.11 C ATOM 0 H MET A 15 -5.113 -2.464 9.577 1.00 0.72 H new ATOM 0 HA MET A 15 -3.902 -0.480 10.997 1.00 0.83 H new ATOM 0 HB2 MET A 15 -5.270 1.032 9.643 1.00 1.07 H new ATOM 0 HB3 MET A 15 -4.737 -0.325 8.671 1.00 1.07 H new ATOM 0 HG2 MET A 15 -7.490 -0.156 9.933 1.00 0.94 H new ATOM 0 HG3 MET A 15 -7.128 0.451 8.329 1.00 0.94 H new ATOM 0 HE1 MET A 15 -9.335 -2.556 7.440 1.00 3.11 H new ATOM 0 HE2 MET A 15 -9.509 -1.347 8.735 1.00 3.11 H new ATOM 0 HE3 MET A 15 -8.951 -0.848 7.120 1.00 3.11 H new ATOM 233 N THR A 16 -5.316 0.673 12.705 1.00 1.34 N ATOM 234 CA THR A 16 -6.026 1.261 13.836 1.00 1.64 C ATOM 235 C THR A 16 -5.977 2.792 13.764 1.00 1.22 C ATOM 236 O THR A 16 -5.832 3.462 14.784 1.00 1.68 O ATOM 237 CB THR A 16 -5.416 0.726 15.142 1.00 2.62 C ATOM 238 OG1 THR A 16 -4.005 0.839 15.100 1.00 3.43 O ATOM 239 CG2 THR A 16 -5.778 -0.746 15.351 1.00 3.08 C ATOM 0 H THR A 16 -4.415 1.115 12.524 1.00 1.34 H new ATOM 0 HA THR A 16 -7.078 0.977 13.805 1.00 1.64 H new ATOM 0 HB THR A 16 -5.818 1.318 15.964 1.00 2.62 H new ATOM 0 HG1 THR A 16 -3.756 1.646 14.602 1.00 3.43 H new ATOM 0 HG21 THR A 16 -5.335 -1.101 16.281 1.00 3.08 H new ATOM 0 HG22 THR A 16 -6.862 -0.850 15.402 1.00 3.08 H new ATOM 0 HG23 THR A 16 -5.396 -1.336 14.518 1.00 3.08 H new ATOM 247 N CYS A 17 -6.101 3.351 12.554 1.00 1.09 N ATOM 248 CA CYS A 17 -6.063 4.795 12.326 1.00 1.84 C ATOM 249 C CYS A 17 -4.815 5.417 12.963 1.00 1.63 C ATOM 250 O CYS A 17 -3.767 4.788 12.871 1.00 2.17 O ATOM 251 CB CYS A 17 -7.416 5.411 12.704 1.00 2.69 C ATOM 252 SG CYS A 17 -7.610 7.039 11.932 1.00 4.12 S ATOM 0 H CYS A 17 -6.231 2.807 11.701 1.00 1.09 H new ATOM 0 HA CYS A 17 -5.941 5.028 11.268 1.00 1.84 H new ATOM 0 HB2 CYS A 17 -8.224 4.752 12.385 1.00 2.69 H new ATOM 0 HB3 CYS A 17 -7.490 5.505 13.787 1.00 2.69 H new ATOM 0 HG CYS A 17 -8.762 7.542 12.263 1.00 4.12 H new ATOM 258 N ALA A 18 -4.865 6.616 13.557 1.00 1.46 N ATOM 259 CA ALA A 18 -3.726 7.281 14.191 1.00 1.55 C ATOM 260 C ALA A 18 -2.412 7.083 13.418 1.00 1.61 C ATOM 261 O ALA A 18 -1.430 6.572 13.954 1.00 2.72 O ATOM 262 CB ALA A 18 -3.620 6.830 15.651 1.00 1.68 C ATOM 0 H ALA A 18 -5.724 7.163 13.610 1.00 1.46 H new ATOM 0 HA ALA A 18 -3.904 8.356 14.170 1.00 1.55 H new ATOM 0 HB1 ALA A 18 -2.772 7.325 16.124 1.00 1.68 H new ATOM 0 HB2 ALA A 18 -4.535 7.094 16.181 1.00 1.68 H new ATOM 0 HB3 ALA A 18 -3.477 5.750 15.689 1.00 1.68 H new ATOM 268 N ALA A 19 -2.417 7.462 12.134 1.00 1.08 N ATOM 269 CA ALA A 19 -1.270 7.405 11.228 1.00 0.94 C ATOM 270 C ALA A 19 -0.719 5.987 10.988 1.00 0.73 C ATOM 271 O ALA A 19 0.348 5.842 10.394 1.00 0.68 O ATOM 272 CB ALA A 19 -0.163 8.350 11.719 1.00 1.09 C ATOM 0 H ALA A 19 -3.254 7.831 11.683 1.00 1.08 H new ATOM 0 HA ALA A 19 -1.635 7.736 10.256 1.00 0.94 H new ATOM 0 HB1 ALA A 19 0.686 8.300 11.038 1.00 1.09 H new ATOM 0 HB2 ALA A 19 -0.544 9.371 11.751 1.00 1.09 H new ATOM 0 HB3 ALA A 19 0.155 8.050 12.718 1.00 1.09 H new ATOM 278 N CYS A 20 -1.426 4.937 11.412 1.00 0.76 N ATOM 279 CA CYS A 20 -0.921 3.569 11.344 1.00 0.74 C ATOM 280 C CYS A 20 -0.928 3.145 9.885 1.00 0.59 C ATOM 281 O CYS A 20 0.106 2.871 9.285 1.00 0.52 O ATOM 282 CB CYS A 20 -1.756 2.606 12.204 1.00 0.91 C ATOM 283 SG CYS A 20 -1.528 2.970 13.962 1.00 1.28 S ATOM 0 H CYS A 20 -2.362 5.013 11.811 1.00 0.76 H new ATOM 0 HA CYS A 20 0.092 3.533 11.746 1.00 0.74 H new ATOM 0 HB2 CYS A 20 -2.810 2.695 11.942 1.00 0.91 H new ATOM 0 HB3 CYS A 20 -1.462 1.577 11.998 1.00 0.91 H new ATOM 0 HG CYS A 20 -2.373 3.888 14.328 1.00 1.28 H new ATOM 289 N ALA A 21 -2.121 3.155 9.292 1.00 0.63 N ATOM 290 CA ALA A 21 -2.312 2.809 7.893 1.00 0.62 C ATOM 291 C ALA A 21 -1.452 3.695 6.986 1.00 0.46 C ATOM 292 O ALA A 21 -0.882 3.245 5.995 1.00 0.52 O ATOM 293 CB ALA A 21 -3.797 2.915 7.578 1.00 0.83 C ATOM 0 H ALA A 21 -2.984 3.405 9.775 1.00 0.63 H new ATOM 0 HA ALA A 21 -1.985 1.786 7.704 1.00 0.62 H new ATOM 0 HB1 ALA A 21 -3.966 2.660 6.532 1.00 0.83 H new ATOM 0 HB2 ALA A 21 -4.354 2.227 8.214 1.00 0.83 H new ATOM 0 HB3 ALA A 21 -4.136 3.934 7.762 1.00 0.83 H new ATOM 299 N ALA A 22 -1.324 4.967 7.364 1.00 0.36 N ATOM 300 CA ALA A 22 -0.420 5.877 6.692 1.00 0.26 C ATOM 301 C ALA A 22 1.023 5.371 6.769 1.00 0.27 C ATOM 302 O ALA A 22 1.693 5.347 5.740 1.00 0.27 O ATOM 303 CB ALA A 22 -0.564 7.274 7.298 1.00 0.30 C ATOM 0 H ALA A 22 -1.842 5.384 8.137 1.00 0.36 H new ATOM 0 HA ALA A 22 -0.680 5.930 5.635 1.00 0.26 H new ATOM 0 HB1 ALA A 22 0.116 7.961 6.794 1.00 0.30 H new ATOM 0 HB2 ALA A 22 -1.590 7.621 7.173 1.00 0.30 H new ATOM 0 HB3 ALA A 22 -0.321 7.237 8.360 1.00 0.30 H new ATOM 309 N ARG A 23 1.510 4.960 7.950 1.00 0.32 N ATOM 310 CA ARG A 23 2.825 4.326 8.061 1.00 0.32 C ATOM 311 C ARG A 23 2.939 3.153 7.087 1.00 0.30 C ATOM 312 O ARG A 23 3.942 3.058 6.382 1.00 0.33 O ATOM 313 CB ARG A 23 3.143 3.814 9.475 1.00 0.42 C ATOM 314 CG ARG A 23 3.318 4.899 10.549 1.00 0.60 C ATOM 315 CD ARG A 23 4.758 4.913 11.091 1.00 1.14 C ATOM 316 NE ARG A 23 4.834 5.403 12.478 1.00 2.27 N ATOM 317 CZ ARG A 23 4.757 6.682 12.876 1.00 2.77 C ATOM 318 NH1 ARG A 23 4.538 7.644 11.975 1.00 3.37 N ATOM 319 NH2 ARG A 23 4.901 6.986 14.171 1.00 4.00 N ATOM 0 H ARG A 23 1.013 5.056 8.835 1.00 0.32 H new ATOM 0 HA ARG A 23 3.546 5.106 7.819 1.00 0.32 H new ATOM 0 HB2 ARG A 23 2.343 3.144 9.788 1.00 0.42 H new ATOM 0 HB3 ARG A 23 4.056 3.221 9.431 1.00 0.42 H new ATOM 0 HG2 ARG A 23 3.075 5.875 10.128 1.00 0.60 H new ATOM 0 HG3 ARG A 23 2.620 4.722 11.367 1.00 0.60 H new ATOM 0 HD2 ARG A 23 5.171 3.905 11.042 1.00 1.14 H new ATOM 0 HD3 ARG A 23 5.377 5.543 10.452 1.00 1.14 H new ATOM 0 HE ARG A 23 4.957 4.701 13.208 1.00 2.27 H new ATOM 0 HH11 ARG A 23 4.430 7.405 10.989 1.00 3.37 H new ATOM 0 HH12 ARG A 23 4.479 8.618 12.273 1.00 3.37 H new ATOM 0 HH21 ARG A 23 5.069 6.246 14.853 1.00 4.00 H new ATOM 0 HH22 ARG A 23 4.843 7.958 14.476 1.00 4.00 H new ATOM 333 N ILE A 24 1.932 2.267 7.062 1.00 0.30 N ATOM 334 CA ILE A 24 1.952 1.097 6.183 1.00 0.34 C ATOM 335 C ILE A 24 2.314 1.543 4.767 1.00 0.29 C ATOM 336 O ILE A 24 3.334 1.136 4.206 1.00 0.31 O ATOM 337 CB ILE A 24 0.600 0.344 6.164 1.00 0.36 C ATOM 338 CG1 ILE A 24 0.152 -0.109 7.557 1.00 0.48 C ATOM 339 CG2 ILE A 24 0.704 -0.877 5.246 1.00 0.46 C ATOM 340 CD1 ILE A 24 -1.224 -0.786 7.531 1.00 0.58 C ATOM 0 H ILE A 24 1.096 2.342 7.641 1.00 0.30 H new ATOM 0 HA ILE A 24 2.698 0.403 6.571 1.00 0.34 H new ATOM 0 HB ILE A 24 -0.149 1.044 5.792 1.00 0.36 H new ATOM 0 HG12 ILE A 24 0.888 -0.801 7.966 1.00 0.48 H new ATOM 0 HG13 ILE A 24 0.119 0.752 8.224 1.00 0.48 H new ATOM 0 HG21 ILE A 24 -0.249 -1.406 5.234 1.00 0.46 H new ATOM 0 HG22 ILE A 24 0.951 -0.552 4.235 1.00 0.46 H new ATOM 0 HG23 ILE A 24 1.484 -1.544 5.614 1.00 0.46 H new ATOM 0 HD11 ILE A 24 -1.499 -1.090 8.541 1.00 0.58 H new ATOM 0 HD12 ILE A 24 -1.967 -0.086 7.148 1.00 0.58 H new ATOM 0 HD13 ILE A 24 -1.186 -1.664 6.886 1.00 0.58 H new ATOM 352 N GLU A 25 1.474 2.404 4.196 1.00 0.25 N ATOM 353 CA GLU A 25 1.621 2.741 2.794 1.00 0.22 C ATOM 354 C GLU A 25 2.863 3.609 2.568 1.00 0.22 C ATOM 355 O GLU A 25 3.543 3.490 1.553 1.00 0.29 O ATOM 356 CB GLU A 25 0.355 3.428 2.279 1.00 0.24 C ATOM 357 CG GLU A 25 0.007 2.913 0.869 1.00 0.22 C ATOM 358 CD GLU A 25 -0.503 1.472 0.827 1.00 1.20 C ATOM 359 OE1 GLU A 25 -0.592 0.854 1.910 1.00 2.37 O ATOM 360 OE2 GLU A 25 -0.795 1.015 -0.298 1.00 2.30 O ATOM 0 H GLU A 25 0.703 2.869 4.675 1.00 0.25 H new ATOM 0 HA GLU A 25 1.760 1.821 2.226 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -0.475 3.236 2.959 1.00 0.24 H new ATOM 0 HB3 GLU A 25 0.503 4.508 2.254 1.00 0.24 H new ATOM 0 HG2 GLU A 25 -0.750 3.566 0.434 1.00 0.22 H new ATOM 0 HG3 GLU A 25 0.893 2.990 0.239 1.00 0.22 H new ATOM 367 N LYS A 26 3.191 4.492 3.518 1.00 0.19 N ATOM 368 CA LYS A 26 4.438 5.235 3.495 1.00 0.21 C ATOM 369 C LYS A 26 5.632 4.284 3.390 1.00 0.27 C ATOM 370 O LYS A 26 6.594 4.577 2.680 1.00 0.34 O ATOM 371 CB LYS A 26 4.529 6.101 4.752 1.00 0.28 C ATOM 372 CG LYS A 26 3.747 7.417 4.616 1.00 0.32 C ATOM 373 CD LYS A 26 4.607 8.439 3.850 1.00 0.46 C ATOM 374 CE LYS A 26 3.987 9.845 3.825 1.00 0.56 C ATOM 375 NZ LYS A 26 3.981 10.486 5.157 1.00 1.52 N ATOM 0 H LYS A 26 2.596 4.705 4.318 1.00 0.19 H new ATOM 0 HA LYS A 26 4.460 5.882 2.618 1.00 0.21 H new ATOM 0 HB2 LYS A 26 4.146 5.540 5.604 1.00 0.28 H new ATOM 0 HB3 LYS A 26 5.575 6.323 4.961 1.00 0.28 H new ATOM 0 HG2 LYS A 26 2.809 7.244 4.088 1.00 0.32 H new ATOM 0 HG3 LYS A 26 3.491 7.805 5.602 1.00 0.32 H new ATOM 0 HD2 LYS A 26 5.594 8.491 4.309 1.00 0.46 H new ATOM 0 HD3 LYS A 26 4.749 8.092 2.827 1.00 0.46 H new ATOM 0 HE2 LYS A 26 4.543 10.471 3.127 1.00 0.56 H new ATOM 0 HE3 LYS A 26 2.965 9.781 3.452 1.00 0.56 H new ATOM 0 HZ1 LYS A 26 3.648 11.467 5.069 1.00 1.52 H new ATOM 0 HZ2 LYS A 26 3.347 9.961 5.792 1.00 1.52 H new ATOM 0 HZ3 LYS A 26 4.944 10.482 5.549 1.00 1.52 H new ATOM 389 N GLY A 27 5.560 3.138 4.068 1.00 0.29 N ATOM 390 CA GLY A 27 6.490 2.043 3.866 1.00 0.40 C ATOM 391 C GLY A 27 6.592 1.692 2.384 1.00 0.42 C ATOM 392 O GLY A 27 7.688 1.658 1.827 1.00 0.48 O ATOM 0 H GLY A 27 4.849 2.949 4.775 1.00 0.29 H new ATOM 0 HA2 GLY A 27 7.473 2.318 4.249 1.00 0.40 H new ATOM 0 HA3 GLY A 27 6.161 1.170 4.430 1.00 0.40 H new ATOM 396 N LEU A 28 5.458 1.472 1.715 1.00 0.37 N ATOM 397 CA LEU A 28 5.487 1.181 0.290 1.00 0.38 C ATOM 398 C LEU A 28 6.004 2.349 -0.527 1.00 0.37 C ATOM 399 O LEU A 28 6.610 2.124 -1.568 1.00 0.42 O ATOM 400 CB LEU A 28 4.116 0.792 -0.232 1.00 0.33 C ATOM 401 CG LEU A 28 3.630 -0.515 0.388 1.00 0.39 C ATOM 402 CD1 LEU A 28 2.197 -0.693 -0.106 1.00 0.40 C ATOM 403 CD2 LEU A 28 4.557 -1.704 0.074 1.00 0.43 C ATOM 0 H LEU A 28 4.527 1.490 2.132 1.00 0.37 H new ATOM 0 HA LEU A 28 6.172 0.341 0.176 1.00 0.38 H new ATOM 0 HB2 LEU A 28 3.403 1.587 -0.012 1.00 0.33 H new ATOM 0 HB3 LEU A 28 4.154 0.689 -1.316 1.00 0.33 H new ATOM 0 HG LEU A 28 3.652 -0.477 1.477 1.00 0.39 H new ATOM 0 HD11 LEU A 28 1.784 -1.615 0.302 1.00 0.40 H new ATOM 0 HD12 LEU A 28 1.592 0.152 0.222 1.00 0.40 H new ATOM 0 HD13 LEU A 28 2.191 -0.743 -1.195 1.00 0.40 H new ATOM 0 HD21 LEU A 28 4.162 -2.606 0.540 1.00 0.43 H new ATOM 0 HD22 LEU A 28 4.612 -1.847 -1.005 1.00 0.43 H new ATOM 0 HD23 LEU A 28 5.554 -1.501 0.464 1.00 0.43 H new ATOM 415 N LYS A 29 5.802 3.589 -0.081 1.00 0.35 N ATOM 416 CA LYS A 29 6.339 4.737 -0.793 1.00 0.40 C ATOM 417 C LYS A 29 7.887 4.674 -0.799 1.00 0.45 C ATOM 418 O LYS A 29 8.535 5.306 -1.628 1.00 0.59 O ATOM 419 CB LYS A 29 5.696 6.043 -0.298 1.00 0.41 C ATOM 420 CG LYS A 29 6.296 7.306 -0.947 1.00 0.56 C ATOM 421 CD LYS A 29 5.215 8.057 -1.724 1.00 1.43 C ATOM 422 CE LYS A 29 4.243 8.783 -0.786 1.00 0.86 C ATOM 423 NZ LYS A 29 4.291 10.245 -0.993 1.00 1.48 N ATOM 0 H LYS A 29 5.275 3.818 0.762 1.00 0.35 H new ATOM 0 HA LYS A 29 6.063 4.712 -1.847 1.00 0.40 H new ATOM 0 HB2 LYS A 29 4.626 6.012 -0.502 1.00 0.41 H new ATOM 0 HB3 LYS A 29 5.812 6.109 0.784 1.00 0.41 H new ATOM 0 HG2 LYS A 29 6.720 7.953 -0.179 1.00 0.56 H new ATOM 0 HG3 LYS A 29 7.111 7.029 -1.616 1.00 0.56 H new ATOM 0 HD2 LYS A 29 5.683 8.779 -2.393 1.00 1.43 H new ATOM 0 HD3 LYS A 29 4.662 7.355 -2.349 1.00 1.43 H new ATOM 0 HE2 LYS A 29 3.229 8.422 -0.959 1.00 0.86 H new ATOM 0 HE3 LYS A 29 4.492 8.551 0.250 1.00 0.86 H new ATOM 0 HZ1 LYS A 29 3.636 10.711 -0.333 1.00 1.48 H new ATOM 0 HZ2 LYS A 29 5.258 10.588 -0.821 1.00 1.48 H new ATOM 0 HZ3 LYS A 29 4.014 10.467 -1.971 1.00 1.48 H new ATOM 437 N ARG A 30 8.511 3.886 0.086 1.00 0.43 N ATOM 438 CA ARG A 30 9.938 3.591 -0.038 1.00 0.51 C ATOM 439 C ARG A 30 10.288 2.680 -1.236 1.00 0.35 C ATOM 440 O ARG A 30 11.444 2.669 -1.654 1.00 0.40 O ATOM 441 CB ARG A 30 10.484 3.009 1.281 1.00 0.79 C ATOM 442 CG ARG A 30 11.660 3.819 1.839 1.00 1.28 C ATOM 443 CD ARG A 30 11.164 5.104 2.516 1.00 1.09 C ATOM 444 NE ARG A 30 12.287 5.879 3.068 1.00 1.98 N ATOM 445 CZ ARG A 30 12.173 6.873 3.965 1.00 2.21 C ATOM 446 NH1 ARG A 30 10.963 7.241 4.400 1.00 2.52 N ATOM 447 NH2 ARG A 30 13.267 7.492 4.423 1.00 3.18 N ATOM 0 H ARG A 30 8.054 3.447 0.885 1.00 0.43 H new ATOM 0 HA ARG A 30 10.429 4.542 -0.243 1.00 0.51 H new ATOM 0 HB2 ARG A 30 9.684 2.980 2.020 1.00 0.79 H new ATOM 0 HB3 ARG A 30 10.802 1.980 1.116 1.00 0.79 H new ATOM 0 HG2 ARG A 30 12.215 3.215 2.557 1.00 1.28 H new ATOM 0 HG3 ARG A 30 12.350 4.070 1.033 1.00 1.28 H new ATOM 0 HD2 ARG A 30 10.619 5.712 1.794 1.00 1.09 H new ATOM 0 HD3 ARG A 30 10.465 4.852 3.314 1.00 1.09 H new ATOM 0 HE ARG A 30 13.225 5.643 2.744 1.00 1.98 H new ATOM 0 HH11 ARG A 30 10.130 6.767 4.051 1.00 2.52 H new ATOM 0 HH12 ARG A 30 10.873 7.995 5.081 1.00 2.52 H new ATOM 0 HH21 ARG A 30 14.189 7.210 4.091 1.00 3.18 H new ATOM 0 HH22 ARG A 30 13.179 8.246 5.104 1.00 3.18 H new ATOM 461 N MET A 31 9.357 1.872 -1.764 1.00 0.33 N ATOM 462 CA MET A 31 9.669 0.868 -2.788 1.00 0.28 C ATOM 463 C MET A 31 10.039 1.554 -4.122 1.00 0.17 C ATOM 464 O MET A 31 9.311 2.438 -4.573 1.00 0.19 O ATOM 465 CB MET A 31 8.450 -0.039 -3.018 1.00 0.37 C ATOM 466 CG MET A 31 8.087 -0.912 -1.806 1.00 0.64 C ATOM 467 SD MET A 31 8.414 -2.694 -1.906 1.00 1.85 S ATOM 468 CE MET A 31 10.217 -2.725 -1.884 1.00 1.70 C ATOM 0 H MET A 31 8.374 1.896 -1.495 1.00 0.33 H new ATOM 0 HA MET A 31 10.514 0.275 -2.440 1.00 0.28 H new ATOM 0 HB2 MET A 31 7.592 0.581 -3.277 1.00 0.37 H new ATOM 0 HB3 MET A 31 8.646 -0.685 -3.873 1.00 0.37 H new ATOM 0 HG2 MET A 31 8.625 -0.523 -0.942 1.00 0.64 H new ATOM 0 HG3 MET A 31 7.024 -0.779 -1.606 1.00 0.64 H new ATOM 0 HE1 MET A 31 10.562 -3.752 -1.761 1.00 1.70 H new ATOM 0 HE2 MET A 31 10.599 -2.324 -2.823 1.00 1.70 H new ATOM 0 HE3 MET A 31 10.581 -2.118 -1.055 1.00 1.70 H new ATOM 478 N PRO A 32 11.126 1.150 -4.801 1.00 0.20 N ATOM 479 CA PRO A 32 11.574 1.793 -6.030 1.00 0.29 C ATOM 480 C PRO A 32 10.585 1.511 -7.165 1.00 0.31 C ATOM 481 O PRO A 32 10.618 0.429 -7.733 1.00 0.44 O ATOM 482 CB PRO A 32 12.949 1.175 -6.317 1.00 0.42 C ATOM 483 CG PRO A 32 12.851 -0.222 -5.705 1.00 0.42 C ATOM 484 CD PRO A 32 11.962 0.004 -4.483 1.00 0.29 C ATOM 0 HA PRO A 32 11.634 2.878 -5.940 1.00 0.29 H new ATOM 0 HB2 PRO A 32 13.153 1.130 -7.387 1.00 0.42 H new ATOM 0 HB3 PRO A 32 13.752 1.756 -5.863 1.00 0.42 H new ATOM 0 HG2 PRO A 32 12.410 -0.937 -6.399 1.00 0.42 H new ATOM 0 HG3 PRO A 32 13.830 -0.611 -5.426 1.00 0.42 H new ATOM 0 HD2 PRO A 32 11.354 -0.876 -4.275 1.00 0.29 H new ATOM 0 HD3 PRO A 32 12.563 0.194 -3.594 1.00 0.29 H new ATOM 492 N GLY A 33 9.689 2.446 -7.498 1.00 0.26 N ATOM 493 CA GLY A 33 8.698 2.268 -8.558 1.00 0.21 C ATOM 494 C GLY A 33 7.373 2.913 -8.167 1.00 0.24 C ATOM 495 O GLY A 33 6.548 3.224 -9.023 1.00 0.30 O ATOM 0 H GLY A 33 9.633 3.353 -7.035 1.00 0.26 H new ATOM 0 HA2 GLY A 33 9.065 2.710 -9.484 1.00 0.21 H new ATOM 0 HA3 GLY A 33 8.549 1.205 -8.749 1.00 0.21 H new ATOM 499 N VAL A 34 7.157 3.108 -6.864 1.00 0.21 N ATOM 500 CA VAL A 34 6.041 3.887 -6.358 1.00 0.20 C ATOM 501 C VAL A 34 6.202 5.364 -6.726 1.00 0.23 C ATOM 502 O VAL A 34 7.320 5.848 -6.892 1.00 0.27 O ATOM 503 CB VAL A 34 5.970 3.671 -4.845 1.00 0.22 C ATOM 504 CG1 VAL A 34 7.130 4.398 -4.156 1.00 0.28 C ATOM 505 CG2 VAL A 34 4.614 4.094 -4.266 1.00 0.28 C ATOM 0 H VAL A 34 7.757 2.726 -6.133 1.00 0.21 H new ATOM 0 HA VAL A 34 5.104 3.562 -6.811 1.00 0.20 H new ATOM 0 HB VAL A 34 6.067 2.603 -4.651 1.00 0.22 H new ATOM 0 HG11 VAL A 34 7.071 4.239 -3.079 1.00 0.28 H new ATOM 0 HG12 VAL A 34 8.077 4.008 -4.529 1.00 0.28 H new ATOM 0 HG13 VAL A 34 7.068 5.465 -4.369 1.00 0.28 H new ATOM 0 HG21 VAL A 34 4.609 3.923 -3.189 1.00 0.28 H new ATOM 0 HG22 VAL A 34 4.447 5.152 -4.466 1.00 0.28 H new ATOM 0 HG23 VAL A 34 3.821 3.508 -4.730 1.00 0.28 H new ATOM 515 N THR A 35 5.082 6.080 -6.825 1.00 0.25 N ATOM 516 CA THR A 35 5.050 7.536 -6.907 1.00 0.31 C ATOM 517 C THR A 35 4.422 8.078 -5.628 1.00 0.31 C ATOM 518 O THR A 35 5.080 8.794 -4.875 1.00 0.39 O ATOM 519 CB THR A 35 4.295 8.010 -8.164 1.00 0.41 C ATOM 520 OG1 THR A 35 3.866 6.901 -8.922 1.00 0.46 O ATOM 521 CG2 THR A 35 5.190 8.868 -9.060 1.00 0.45 C ATOM 0 H THR A 35 4.156 5.654 -6.851 1.00 0.25 H new ATOM 0 HA THR A 35 6.065 7.922 -6.999 1.00 0.31 H new ATOM 0 HB THR A 35 3.443 8.599 -7.824 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.932 7.112 -9.877 1.00 0.46 H new ATOM 0 HG21 THR A 35 4.628 9.186 -9.938 1.00 0.45 H new ATOM 0 HG22 THR A 35 5.526 9.745 -8.506 1.00 0.45 H new ATOM 0 HG23 THR A 35 6.055 8.285 -9.375 1.00 0.45 H new ATOM 529 N ASP A 36 3.164 7.712 -5.364 1.00 0.28 N ATOM 530 CA ASP A 36 2.418 8.261 -4.235 1.00 0.30 C ATOM 531 C ASP A 36 1.453 7.238 -3.661 1.00 0.24 C ATOM 532 O ASP A 36 1.013 6.332 -4.361 1.00 0.39 O ATOM 533 CB ASP A 36 1.703 9.570 -4.606 1.00 0.47 C ATOM 534 CG ASP A 36 2.544 10.780 -4.233 1.00 1.51 C ATOM 535 OD1 ASP A 36 2.839 10.898 -3.020 1.00 2.30 O ATOM 536 OD2 ASP A 36 2.884 11.558 -5.144 1.00 2.76 O ATOM 0 H ASP A 36 2.642 7.035 -5.921 1.00 0.28 H new ATOM 0 HA ASP A 36 3.140 8.503 -3.455 1.00 0.30 H new ATOM 0 HB2 ASP A 36 1.496 9.584 -5.676 1.00 0.47 H new ATOM 0 HB3 ASP A 36 0.742 9.620 -4.094 1.00 0.47 H new ATOM 541 N ALA A 37 1.160 7.395 -2.371 1.00 0.22 N ATOM 542 CA ALA A 37 0.385 6.495 -1.538 1.00 0.26 C ATOM 543 C ALA A 37 -0.642 7.331 -0.779 1.00 0.42 C ATOM 544 O ALA A 37 -0.280 8.392 -0.273 1.00 0.68 O ATOM 545 CB ALA A 37 1.348 5.824 -0.561 1.00 0.46 C ATOM 0 H ALA A 37 1.482 8.211 -1.851 1.00 0.22 H new ATOM 0 HA ALA A 37 -0.129 5.734 -2.126 1.00 0.26 H new ATOM 0 HB1 ALA A 37 0.795 5.139 0.082 1.00 0.46 H new ATOM 0 HB2 ALA A 37 2.104 5.270 -1.118 1.00 0.46 H new ATOM 0 HB3 ALA A 37 1.833 6.584 0.051 1.00 0.46 H new ATOM 551 N ASN A 38 -1.900 6.885 -0.708 1.00 0.33 N ATOM 552 CA ASN A 38 -2.982 7.629 -0.069 1.00 0.47 C ATOM 553 C ASN A 38 -3.940 6.659 0.615 1.00 0.39 C ATOM 554 O ASN A 38 -4.488 5.767 -0.032 1.00 0.36 O ATOM 555 CB ASN A 38 -3.732 8.487 -1.100 1.00 0.61 C ATOM 556 CG ASN A 38 -3.249 9.933 -1.084 1.00 0.91 C ATOM 557 OD1 ASN A 38 -3.687 10.724 -0.256 1.00 1.57 O ATOM 558 ND2 ASN A 38 -2.346 10.298 -1.989 1.00 0.91 N ATOM 0 H ASN A 38 -2.195 5.989 -1.097 1.00 0.33 H new ATOM 0 HA ASN A 38 -2.556 8.296 0.681 1.00 0.47 H new ATOM 0 HB2 ASN A 38 -3.591 8.067 -2.096 1.00 0.61 H new ATOM 0 HB3 ASN A 38 -4.801 8.457 -0.890 1.00 0.61 H new ATOM 0 HD21 ASN A 38 -2.000 11.257 -2.006 1.00 0.91 H new ATOM 0 HD22 ASN A 38 -1.999 9.619 -2.666 1.00 0.91 H new ATOM 565 N VAL A 39 -4.122 6.822 1.930 1.00 0.42 N ATOM 566 CA VAL A 39 -4.954 5.938 2.734 1.00 0.41 C ATOM 567 C VAL A 39 -6.362 6.491 2.965 1.00 0.44 C ATOM 568 O VAL A 39 -6.537 7.678 3.224 1.00 0.65 O ATOM 569 CB VAL A 39 -4.197 5.548 4.009 1.00 0.70 C ATOM 570 CG1 VAL A 39 -4.084 6.682 5.038 1.00 0.98 C ATOM 571 CG2 VAL A 39 -4.818 4.309 4.652 1.00 0.89 C ATOM 0 H VAL A 39 -3.691 7.577 2.464 1.00 0.42 H new ATOM 0 HA VAL A 39 -5.141 5.018 2.180 1.00 0.41 H new ATOM 0 HB VAL A 39 -3.179 5.324 3.690 1.00 0.70 H new ATOM 0 HG11 VAL A 39 -3.536 6.328 5.911 1.00 0.98 H new ATOM 0 HG12 VAL A 39 -3.554 7.525 4.594 1.00 0.98 H new ATOM 0 HG13 VAL A 39 -5.082 7.000 5.341 1.00 0.98 H new ATOM 0 HG21 VAL A 39 -4.264 4.051 5.555 1.00 0.89 H new ATOM 0 HG22 VAL A 39 -5.857 4.515 4.910 1.00 0.89 H new ATOM 0 HG23 VAL A 39 -4.777 3.476 3.951 1.00 0.89 H new ATOM 581 N ASN A 40 -7.359 5.606 2.854 1.00 0.33 N ATOM 582 CA ASN A 40 -8.785 5.868 2.941 1.00 0.34 C ATOM 583 C ASN A 40 -9.449 4.967 3.979 1.00 0.34 C ATOM 584 O ASN A 40 -10.245 4.081 3.657 1.00 0.31 O ATOM 585 CB ASN A 40 -9.435 5.687 1.563 1.00 0.34 C ATOM 586 CG ASN A 40 -10.842 6.276 1.545 1.00 0.86 C ATOM 587 OD1 ASN A 40 -11.205 7.070 2.408 1.00 1.02 O ATOM 588 ND2 ASN A 40 -11.669 5.847 0.599 1.00 1.30 N ATOM 0 H ASN A 40 -7.167 4.618 2.689 1.00 0.33 H new ATOM 0 HA ASN A 40 -8.928 6.899 3.264 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -8.824 6.171 0.801 1.00 0.34 H new ATOM 0 HB3 ASN A 40 -9.477 4.627 1.312 1.00 0.34 H new ATOM 0 HD21 ASN A 40 -12.634 6.177 0.577 1.00 1.30 H new ATOM 0 HD22 ASN A 40 -11.340 5.187 -0.105 1.00 1.30 H new ATOM 595 N LEU A 41 -9.149 5.218 5.254 1.00 0.40 N ATOM 596 CA LEU A 41 -9.754 4.473 6.349 1.00 0.44 C ATOM 597 C LEU A 41 -11.257 4.703 6.457 1.00 0.45 C ATOM 598 O LEU A 41 -11.951 3.860 7.012 1.00 0.47 O ATOM 599 CB LEU A 41 -9.058 4.778 7.676 1.00 0.56 C ATOM 600 CG LEU A 41 -7.584 4.352 7.661 1.00 0.62 C ATOM 601 CD1 LEU A 41 -6.994 4.496 9.064 1.00 0.74 C ATOM 602 CD2 LEU A 41 -7.404 2.899 7.216 1.00 0.63 C ATOM 0 H LEU A 41 -8.487 5.935 5.550 1.00 0.40 H new ATOM 0 HA LEU A 41 -9.613 3.417 6.120 1.00 0.44 H new ATOM 0 HB2 LEU A 41 -9.125 5.846 7.884 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -9.576 4.263 8.485 1.00 0.56 H new ATOM 0 HG LEU A 41 -7.072 4.999 6.948 1.00 0.62 H new ATOM 0 HD11 LEU A 41 -5.947 4.193 9.051 1.00 0.74 H new ATOM 0 HD12 LEU A 41 -7.067 5.535 9.385 1.00 0.74 H new ATOM 0 HD13 LEU A 41 -7.547 3.863 9.758 1.00 0.74 H new ATOM 0 HD21 LEU A 41 -6.344 2.645 7.222 1.00 0.63 H new ATOM 0 HD22 LEU A 41 -7.939 2.240 7.900 1.00 0.63 H new ATOM 0 HD23 LEU A 41 -7.801 2.775 6.208 1.00 0.63 H new ATOM 614 N ALA A 42 -11.777 5.771 5.845 1.00 0.46 N ATOM 615 CA ALA A 42 -13.216 5.969 5.699 1.00 0.49 C ATOM 616 C ALA A 42 -13.858 4.837 4.889 1.00 0.45 C ATOM 617 O ALA A 42 -15.079 4.772 4.769 1.00 0.63 O ATOM 618 CB ALA A 42 -13.485 7.311 5.019 1.00 0.54 C ATOM 0 H ALA A 42 -11.213 6.518 5.440 1.00 0.46 H new ATOM 0 HA ALA A 42 -13.661 5.964 6.694 1.00 0.49 H new ATOM 0 HB1 ALA A 42 -14.560 7.455 4.912 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -13.069 8.116 5.625 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -13.018 7.320 4.034 1.00 0.54 H new ATOM 624 N THR A 43 -13.040 3.982 4.275 1.00 0.38 N ATOM 625 CA THR A 43 -13.481 2.802 3.564 1.00 0.37 C ATOM 626 C THR A 43 -12.545 1.624 3.881 1.00 0.33 C ATOM 627 O THR A 43 -12.511 0.659 3.122 1.00 0.31 O ATOM 628 CB THR A 43 -13.511 3.186 2.072 1.00 0.39 C ATOM 629 OG1 THR A 43 -14.151 4.443 1.922 1.00 0.45 O ATOM 630 CG2 THR A 43 -14.261 2.193 1.188 1.00 0.44 C ATOM 0 H THR A 43 -12.027 4.102 4.263 1.00 0.38 H new ATOM 0 HA THR A 43 -14.475 2.470 3.865 1.00 0.37 H new ATOM 0 HB THR A 43 -12.469 3.201 1.752 1.00 0.39 H new ATOM 0 HG1 THR A 43 -14.170 4.690 0.974 1.00 0.45 H new ATOM 0 HG21 THR A 43 -14.236 2.536 0.154 1.00 0.44 H new ATOM 0 HG22 THR A 43 -13.787 1.214 1.257 1.00 0.44 H new ATOM 0 HG23 THR A 43 -15.296 2.119 1.521 1.00 0.44 H new ATOM 638 N GLU A 44 -11.739 1.701 4.955 1.00 0.32 N ATOM 639 CA GLU A 44 -10.787 0.656 5.323 1.00 0.34 C ATOM 640 C GLU A 44 -9.888 0.253 4.138 1.00 0.28 C ATOM 641 O GLU A 44 -9.451 -0.895 4.041 1.00 0.32 O ATOM 642 CB GLU A 44 -11.547 -0.548 5.910 1.00 0.47 C ATOM 643 CG GLU A 44 -12.210 -0.247 7.267 1.00 0.57 C ATOM 644 CD GLU A 44 -13.500 0.566 7.192 1.00 1.72 C ATOM 645 OE1 GLU A 44 -14.155 0.536 6.128 1.00 2.89 O ATOM 646 OE2 GLU A 44 -13.821 1.186 8.228 1.00 2.56 O ATOM 0 H GLU A 44 -11.735 2.498 5.591 1.00 0.32 H new ATOM 0 HA GLU A 44 -10.116 1.048 6.087 1.00 0.34 H new ATOM 0 HB2 GLU A 44 -12.312 -0.866 5.202 1.00 0.47 H new ATOM 0 HB3 GLU A 44 -10.856 -1.383 6.028 1.00 0.47 H new ATOM 0 HG2 GLU A 44 -12.423 -1.192 7.767 1.00 0.57 H new ATOM 0 HG3 GLU A 44 -11.496 0.290 7.891 1.00 0.57 H new ATOM 653 N THR A 45 -9.610 1.200 3.236 1.00 0.30 N ATOM 654 CA THR A 45 -8.990 0.945 1.946 1.00 0.30 C ATOM 655 C THR A 45 -7.813 1.891 1.802 1.00 0.26 C ATOM 656 O THR A 45 -7.785 2.953 2.419 1.00 0.24 O ATOM 657 CB THR A 45 -10.043 1.099 0.828 1.00 0.33 C ATOM 658 OG1 THR A 45 -11.009 0.080 0.955 1.00 0.53 O ATOM 659 CG2 THR A 45 -9.529 0.984 -0.612 1.00 0.35 C ATOM 0 H THR A 45 -9.818 2.186 3.393 1.00 0.30 H new ATOM 0 HA THR A 45 -8.613 -0.075 1.869 1.00 0.30 H new ATOM 0 HB THR A 45 -10.418 2.113 0.969 1.00 0.33 H new ATOM 0 HG1 THR A 45 -11.668 0.337 1.633 1.00 0.53 H new ATOM 0 HG21 THR A 45 -10.360 1.109 -1.306 1.00 0.35 H new ATOM 0 HG22 THR A 45 -8.783 1.758 -0.795 1.00 0.35 H new ATOM 0 HG23 THR A 45 -9.078 0.003 -0.760 1.00 0.35 H new ATOM 667 N VAL A 46 -6.824 1.497 1.010 1.00 0.26 N ATOM 668 CA VAL A 46 -5.696 2.339 0.675 1.00 0.23 C ATOM 669 C VAL A 46 -5.449 2.218 -0.817 1.00 0.22 C ATOM 670 O VAL A 46 -5.727 1.167 -1.401 1.00 0.25 O ATOM 671 CB VAL A 46 -4.505 1.932 1.545 1.00 0.34 C ATOM 672 CG1 VAL A 46 -4.060 0.486 1.297 1.00 0.46 C ATOM 673 CG2 VAL A 46 -3.290 2.835 1.336 1.00 0.31 C ATOM 0 H VAL A 46 -6.787 0.573 0.580 1.00 0.26 H new ATOM 0 HA VAL A 46 -5.880 3.393 0.883 1.00 0.23 H new ATOM 0 HB VAL A 46 -4.867 2.034 2.568 1.00 0.34 H new ATOM 0 HG11 VAL A 46 -3.212 0.251 1.940 1.00 0.46 H new ATOM 0 HG12 VAL A 46 -4.884 -0.192 1.520 1.00 0.46 H new ATOM 0 HG13 VAL A 46 -3.767 0.369 0.254 1.00 0.46 H new ATOM 0 HG21 VAL A 46 -2.474 2.502 1.977 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -2.975 2.786 0.294 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -3.553 3.862 1.588 1.00 0.31 H new ATOM 683 N ASN A 47 -4.979 3.311 -1.422 1.00 0.19 N ATOM 684 CA ASN A 47 -4.595 3.349 -2.818 1.00 0.22 C ATOM 685 C ASN A 47 -3.146 3.786 -2.924 1.00 0.18 C ATOM 686 O ASN A 47 -2.643 4.522 -2.075 1.00 0.26 O ATOM 687 CB ASN A 47 -5.540 4.243 -3.638 1.00 0.37 C ATOM 688 CG ASN A 47 -5.124 5.713 -3.647 1.00 1.25 C ATOM 689 OD1 ASN A 47 -5.622 6.514 -2.864 1.00 2.84 O ATOM 690 ND2 ASN A 47 -4.227 6.092 -4.557 1.00 0.88 N ATOM 0 H ASN A 47 -4.856 4.202 -0.942 1.00 0.19 H new ATOM 0 HA ASN A 47 -4.684 2.350 -3.245 1.00 0.22 H new ATOM 0 HB2 ASN A 47 -5.577 3.877 -4.664 1.00 0.37 H new ATOM 0 HB3 ASN A 47 -6.549 4.160 -3.234 1.00 0.37 H new ATOM 0 HD21 ASN A 47 -3.940 7.069 -4.614 1.00 0.88 H new ATOM 0 HD22 ASN A 47 -3.828 5.405 -5.197 1.00 0.88 H new ATOM 697 N VAL A 48 -2.483 3.335 -3.983 1.00 0.21 N ATOM 698 CA VAL A 48 -1.098 3.670 -4.243 1.00 0.23 C ATOM 699 C VAL A 48 -0.875 3.629 -5.748 1.00 0.23 C ATOM 700 O VAL A 48 -1.452 2.793 -6.444 1.00 0.27 O ATOM 701 CB VAL A 48 -0.162 2.771 -3.407 1.00 0.24 C ATOM 702 CG1 VAL A 48 -0.380 1.286 -3.701 1.00 0.27 C ATOM 703 CG2 VAL A 48 1.316 3.106 -3.631 1.00 0.27 C ATOM 0 H VAL A 48 -2.898 2.724 -4.686 1.00 0.21 H new ATOM 0 HA VAL A 48 -0.853 4.682 -3.921 1.00 0.23 H new ATOM 0 HB VAL A 48 -0.417 2.972 -2.367 1.00 0.24 H new ATOM 0 HG11 VAL A 48 0.299 0.691 -3.091 1.00 0.27 H new ATOM 0 HG12 VAL A 48 -1.410 1.016 -3.466 1.00 0.27 H new ATOM 0 HG13 VAL A 48 -0.185 1.091 -4.756 1.00 0.27 H new ATOM 0 HG21 VAL A 48 1.935 2.447 -3.022 1.00 0.27 H new ATOM 0 HG22 VAL A 48 1.565 2.967 -4.683 1.00 0.27 H new ATOM 0 HG23 VAL A 48 1.501 4.142 -3.348 1.00 0.27 H new ATOM 713 N ILE A 49 -0.095 4.591 -6.239 1.00 0.22 N ATOM 714 CA ILE A 49 0.287 4.738 -7.629 1.00 0.20 C ATOM 715 C ILE A 49 1.726 4.253 -7.761 1.00 0.20 C ATOM 716 O ILE A 49 2.603 4.723 -7.032 1.00 0.27 O ATOM 717 CB ILE A 49 0.107 6.197 -8.088 1.00 0.23 C ATOM 718 CG1 ILE A 49 -1.328 6.704 -7.836 1.00 0.30 C ATOM 719 CG2 ILE A 49 0.422 6.333 -9.583 1.00 0.31 C ATOM 720 CD1 ILE A 49 -1.327 7.908 -6.892 1.00 0.87 C ATOM 0 H ILE A 49 0.302 5.319 -5.645 1.00 0.22 H new ATOM 0 HA ILE A 49 -0.351 4.140 -8.280 1.00 0.20 H new ATOM 0 HB ILE A 49 0.800 6.801 -7.503 1.00 0.23 H new ATOM 0 HG12 ILE A 49 -1.791 6.981 -8.783 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -1.931 5.903 -7.408 1.00 0.30 H new ATOM 0 HG21 ILE A 49 0.290 7.370 -9.890 1.00 0.31 H new ATOM 0 HG22 ILE A 49 1.452 6.029 -9.767 1.00 0.31 H new ATOM 0 HG23 ILE A 49 -0.252 5.696 -10.156 1.00 0.31 H new ATOM 0 HD11 ILE A 49 -2.351 8.245 -6.731 1.00 0.87 H new ATOM 0 HD12 ILE A 49 -0.885 7.622 -5.938 1.00 0.87 H new ATOM 0 HD13 ILE A 49 -0.744 8.716 -7.334 1.00 0.87 H new ATOM 732 N TYR A 50 1.957 3.297 -8.665 1.00 0.18 N ATOM 733 CA TYR A 50 3.266 2.714 -8.894 1.00 0.16 C ATOM 734 C TYR A 50 3.421 2.300 -10.350 1.00 0.16 C ATOM 735 O TYR A 50 2.437 2.206 -11.089 1.00 0.16 O ATOM 736 CB TYR A 50 3.495 1.499 -7.978 1.00 0.18 C ATOM 737 CG TYR A 50 2.363 0.479 -7.959 1.00 0.22 C ATOM 738 CD1 TYR A 50 2.083 -0.314 -9.091 1.00 1.82 C ATOM 739 CD2 TYR A 50 1.646 0.253 -6.771 1.00 1.82 C ATOM 740 CE1 TYR A 50 1.174 -1.382 -9.004 1.00 1.82 C ATOM 741 CE2 TYR A 50 0.740 -0.819 -6.685 1.00 1.82 C ATOM 742 CZ TYR A 50 0.544 -1.669 -7.786 1.00 0.27 C ATOM 743 OH TYR A 50 -0.087 -2.868 -7.620 1.00 0.32 O ATOM 0 H TYR A 50 1.227 2.907 -9.261 1.00 0.18 H new ATOM 0 HA TYR A 50 4.014 3.472 -8.660 1.00 0.16 H new ATOM 0 HB2 TYR A 50 4.410 0.996 -8.290 1.00 0.18 H new ATOM 0 HB3 TYR A 50 3.658 1.856 -6.961 1.00 0.18 H new ATOM 0 HD1 TYR A 50 2.570 -0.099 -10.031 1.00 1.82 H new ATOM 0 HD2 TYR A 50 1.791 0.905 -5.922 1.00 1.82 H new ATOM 0 HE1 TYR A 50 0.961 -1.982 -9.876 1.00 1.82 H new ATOM 0 HE2 TYR A 50 0.193 -0.989 -5.769 1.00 1.82 H new ATOM 0 HH TYR A 50 -0.335 -2.979 -6.679 1.00 0.32 H new ATOM 753 N ASP A 51 4.668 2.027 -10.734 1.00 0.20 N ATOM 754 CA ASP A 51 5.038 1.545 -12.047 1.00 0.18 C ATOM 755 C ASP A 51 5.210 0.019 -12.024 1.00 0.20 C ATOM 756 O ASP A 51 6.187 -0.452 -11.439 1.00 0.20 O ATOM 757 CB ASP A 51 6.335 2.242 -12.451 1.00 0.23 C ATOM 758 CG ASP A 51 6.656 1.931 -13.906 1.00 0.35 C ATOM 759 OD1 ASP A 51 6.687 0.719 -14.210 1.00 2.05 O ATOM 760 OD2 ASP A 51 6.839 2.889 -14.686 1.00 1.82 O ATOM 0 H ASP A 51 5.468 2.142 -10.112 1.00 0.20 H new ATOM 0 HA ASP A 51 4.258 1.770 -12.774 1.00 0.18 H new ATOM 0 HB2 ASP A 51 6.238 3.319 -12.313 1.00 0.23 H new ATOM 0 HB3 ASP A 51 7.152 1.910 -11.810 1.00 0.23 H new ATOM 765 N PRO A 52 4.325 -0.762 -12.671 1.00 0.31 N ATOM 766 CA PRO A 52 4.375 -2.219 -12.675 1.00 0.42 C ATOM 767 C PRO A 52 5.516 -2.794 -13.520 1.00 0.44 C ATOM 768 O PRO A 52 5.519 -3.999 -13.770 1.00 0.60 O ATOM 769 CB PRO A 52 2.999 -2.661 -13.184 1.00 0.61 C ATOM 770 CG PRO A 52 2.627 -1.544 -14.154 1.00 0.61 C ATOM 771 CD PRO A 52 3.212 -0.300 -13.484 1.00 0.42 C ATOM 0 HA PRO A 52 4.588 -2.600 -11.676 1.00 0.42 H new ATOM 0 HB2 PRO A 52 3.043 -3.631 -13.680 1.00 0.61 H new ATOM 0 HB3 PRO A 52 2.276 -2.750 -12.373 1.00 0.61 H new ATOM 0 HG2 PRO A 52 3.055 -1.709 -15.143 1.00 0.61 H new ATOM 0 HG3 PRO A 52 1.548 -1.464 -14.283 1.00 0.61 H new ATOM 0 HD2 PRO A 52 3.547 0.422 -14.229 1.00 0.42 H new ATOM 0 HD3 PRO A 52 2.463 0.200 -12.870 1.00 0.42 H new ATOM 779 N ALA A 53 6.495 -1.986 -13.941 1.00 0.38 N ATOM 780 CA ALA A 53 7.683 -2.505 -14.610 1.00 0.50 C ATOM 781 C ALA A 53 8.642 -2.979 -13.525 1.00 0.44 C ATOM 782 O ALA A 53 9.107 -4.116 -13.534 1.00 0.59 O ATOM 783 CB ALA A 53 8.318 -1.427 -15.496 1.00 0.60 C ATOM 0 H ALA A 53 6.484 -0.972 -13.829 1.00 0.38 H new ATOM 0 HA ALA A 53 7.428 -3.336 -15.268 1.00 0.50 H new ATOM 0 HB1 ALA A 53 9.203 -1.834 -15.986 1.00 0.60 H new ATOM 0 HB2 ALA A 53 7.600 -1.107 -16.251 1.00 0.60 H new ATOM 0 HB3 ALA A 53 8.604 -0.573 -14.882 1.00 0.60 H new ATOM 789 N GLU A 54 8.887 -2.085 -12.567 1.00 0.31 N ATOM 790 CA GLU A 54 9.643 -2.341 -11.356 1.00 0.30 C ATOM 791 C GLU A 54 8.745 -3.036 -10.325 1.00 0.34 C ATOM 792 O GLU A 54 9.132 -4.011 -9.683 1.00 0.53 O ATOM 793 CB GLU A 54 10.118 -0.980 -10.821 1.00 0.33 C ATOM 794 CG GLU A 54 11.158 -0.312 -11.735 1.00 0.43 C ATOM 795 CD GLU A 54 12.489 -1.055 -11.749 1.00 1.66 C ATOM 796 OE1 GLU A 54 13.034 -1.268 -10.645 1.00 2.67 O ATOM 797 OE2 GLU A 54 12.946 -1.384 -12.865 1.00 2.74 O ATOM 0 H GLU A 54 8.547 -1.125 -12.623 1.00 0.31 H new ATOM 0 HA GLU A 54 10.495 -2.991 -11.554 1.00 0.30 H new ATOM 0 HB2 GLU A 54 9.259 -0.318 -10.711 1.00 0.33 H new ATOM 0 HB3 GLU A 54 10.546 -1.114 -9.828 1.00 0.33 H new ATOM 0 HG2 GLU A 54 10.764 -0.260 -12.750 1.00 0.43 H new ATOM 0 HG3 GLU A 54 11.322 0.713 -11.404 1.00 0.43 H new ATOM 804 N THR A 55 7.550 -2.472 -10.144 1.00 0.28 N ATOM 805 CA THR A 55 6.839 -2.422 -8.878 1.00 0.19 C ATOM 806 C THR A 55 5.334 -2.574 -8.922 1.00 0.33 C ATOM 807 O THR A 55 4.622 -1.765 -9.505 1.00 0.61 O ATOM 808 CB THR A 55 7.211 -1.116 -8.216 1.00 0.42 C ATOM 809 OG1 THR A 55 8.607 -1.206 -8.062 1.00 0.71 O ATOM 810 CG2 THR A 55 6.680 -0.950 -6.810 1.00 0.63 C ATOM 0 H THR A 55 7.038 -2.024 -10.904 1.00 0.28 H new ATOM 0 HA THR A 55 7.152 -3.304 -8.319 1.00 0.19 H new ATOM 0 HB THR A 55 6.816 -0.297 -8.817 1.00 0.42 H new ATOM 0 HG1 THR A 55 8.943 -0.387 -7.642 1.00 0.71 H new ATOM 0 HG21 THR A 55 6.995 0.015 -6.414 1.00 0.63 H new ATOM 0 HG22 THR A 55 5.591 -0.998 -6.824 1.00 0.63 H new ATOM 0 HG23 THR A 55 7.070 -1.747 -6.177 1.00 0.63 H new ATOM 818 N GLY A 56 4.836 -3.535 -8.149 1.00 0.30 N ATOM 819 CA GLY A 56 3.433 -3.605 -7.836 1.00 0.50 C ATOM 820 C GLY A 56 3.205 -4.596 -6.710 1.00 0.28 C ATOM 821 O GLY A 56 4.127 -4.946 -5.969 1.00 0.19 O ATOM 0 H GLY A 56 5.398 -4.276 -7.730 1.00 0.30 H new ATOM 0 HA2 GLY A 56 3.067 -2.620 -7.546 1.00 0.50 H new ATOM 0 HA3 GLY A 56 2.869 -3.907 -8.718 1.00 0.50 H new ATOM 825 N THR A 57 1.955 -5.049 -6.632 1.00 0.26 N ATOM 826 CA THR A 57 1.391 -6.035 -5.724 1.00 0.25 C ATOM 827 C THR A 57 2.420 -7.081 -5.275 1.00 0.23 C ATOM 828 O THR A 57 2.589 -7.297 -4.078 1.00 0.25 O ATOM 829 CB THR A 57 0.112 -6.615 -6.369 1.00 0.46 C ATOM 830 OG1 THR A 57 -0.335 -7.773 -5.707 1.00 0.73 O ATOM 831 CG2 THR A 57 0.205 -6.906 -7.872 1.00 0.58 C ATOM 0 H THR A 57 1.243 -4.695 -7.271 1.00 0.26 H new ATOM 0 HA THR A 57 1.102 -5.561 -4.786 1.00 0.25 H new ATOM 0 HB THR A 57 -0.611 -5.807 -6.252 1.00 0.46 H new ATOM 0 HG1 THR A 57 -1.146 -8.107 -6.144 1.00 0.73 H new ATOM 0 HG21 THR A 57 -0.745 -7.309 -8.224 1.00 0.58 H new ATOM 0 HG22 THR A 57 0.428 -5.984 -8.408 1.00 0.58 H new ATOM 0 HG23 THR A 57 0.997 -7.632 -8.054 1.00 0.58 H new ATOM 839 N ALA A 58 3.145 -7.685 -6.223 1.00 0.26 N ATOM 840 CA ALA A 58 4.204 -8.648 -5.950 1.00 0.28 C ATOM 841 C ALA A 58 5.168 -8.172 -4.854 1.00 0.24 C ATOM 842 O ALA A 58 5.390 -8.872 -3.869 1.00 0.29 O ATOM 843 CB ALA A 58 4.972 -8.926 -7.247 1.00 0.32 C ATOM 0 H ALA A 58 3.005 -7.511 -7.218 1.00 0.26 H new ATOM 0 HA ALA A 58 3.739 -9.562 -5.580 1.00 0.28 H new ATOM 0 HB1 ALA A 58 5.767 -9.646 -7.052 1.00 0.32 H new ATOM 0 HB2 ALA A 58 4.290 -9.332 -7.994 1.00 0.32 H new ATOM 0 HB3 ALA A 58 5.406 -7.998 -7.619 1.00 0.32 H new ATOM 849 N ALA A 59 5.771 -6.996 -5.045 1.00 0.18 N ATOM 850 CA ALA A 59 6.717 -6.435 -4.088 1.00 0.15 C ATOM 851 C ALA A 59 5.962 -5.927 -2.870 1.00 0.16 C ATOM 852 O ALA A 59 6.421 -6.011 -1.730 1.00 0.20 O ATOM 853 CB ALA A 59 7.521 -5.311 -4.751 1.00 0.18 C ATOM 0 H ALA A 59 5.615 -6.411 -5.866 1.00 0.18 H new ATOM 0 HA ALA A 59 7.417 -7.205 -3.763 1.00 0.15 H new ATOM 0 HB1 ALA A 59 8.226 -4.895 -4.032 1.00 0.18 H new ATOM 0 HB2 ALA A 59 8.067 -5.710 -5.606 1.00 0.18 H new ATOM 0 HB3 ALA A 59 6.842 -4.528 -5.088 1.00 0.18 H new ATOM 859 N ILE A 60 4.799 -5.343 -3.152 1.00 0.17 N ATOM 860 CA ILE A 60 4.033 -4.615 -2.179 1.00 0.18 C ATOM 861 C ILE A 60 3.583 -5.546 -1.059 1.00 0.18 C ATOM 862 O ILE A 60 3.948 -5.284 0.079 1.00 0.21 O ATOM 863 CB ILE A 60 2.962 -3.786 -2.914 1.00 0.21 C ATOM 864 CG1 ILE A 60 3.551 -2.386 -3.142 1.00 0.28 C ATOM 865 CG2 ILE A 60 1.625 -3.698 -2.175 1.00 0.24 C ATOM 866 CD1 ILE A 60 2.935 -1.651 -4.328 1.00 0.60 C ATOM 0 H ILE A 60 4.369 -5.370 -4.077 1.00 0.17 H new ATOM 0 HA ILE A 60 4.620 -3.871 -1.640 1.00 0.18 H new ATOM 0 HB ILE A 60 2.725 -4.285 -3.854 1.00 0.21 H new ATOM 0 HG12 ILE A 60 3.408 -1.789 -2.241 1.00 0.28 H new ATOM 0 HG13 ILE A 60 4.626 -2.474 -3.298 1.00 0.28 H new ATOM 0 HG21 ILE A 60 0.926 -3.098 -2.758 1.00 0.24 H new ATOM 0 HG22 ILE A 60 1.218 -4.700 -2.039 1.00 0.24 H new ATOM 0 HG23 ILE A 60 1.778 -3.233 -1.201 1.00 0.24 H new ATOM 0 HD11 ILE A 60 3.399 -0.670 -4.429 1.00 0.60 H new ATOM 0 HD12 ILE A 60 3.101 -2.226 -5.239 1.00 0.60 H new ATOM 0 HD13 ILE A 60 1.864 -1.531 -4.165 1.00 0.60 H new ATOM 878 N GLN A 61 2.874 -6.645 -1.342 1.00 0.18 N ATOM 879 CA GLN A 61 2.460 -7.596 -0.305 1.00 0.20 C ATOM 880 C GLN A 61 3.643 -7.957 0.599 1.00 0.19 C ATOM 881 O GLN A 61 3.560 -7.844 1.819 1.00 0.21 O ATOM 882 CB GLN A 61 1.921 -8.891 -0.926 1.00 0.23 C ATOM 883 CG GLN A 61 0.398 -8.995 -1.046 1.00 0.32 C ATOM 884 CD GLN A 61 -0.183 -8.263 -2.241 1.00 0.38 C ATOM 885 OE1 GLN A 61 0.031 -6.957 -2.317 1.00 0.76 O flip ATOM 886 NE2 GLN A 61 -0.840 -8.867 -3.080 1.00 0.29 N flip ATOM 0 H GLN A 61 2.574 -6.898 -2.284 1.00 0.18 H new ATOM 0 HA GLN A 61 1.675 -7.114 0.278 1.00 0.20 H new ATOM 0 HB2 GLN A 61 2.352 -9.000 -1.921 1.00 0.23 H new ATOM 0 HB3 GLN A 61 2.277 -9.732 -0.330 1.00 0.23 H new ATOM 0 HG2 GLN A 61 0.121 -10.047 -1.109 1.00 0.32 H new ATOM 0 HG3 GLN A 61 -0.055 -8.600 -0.137 1.00 0.32 H new ATOM 0 HE21 GLN A 61 -0.984 -9.873 -2.988 1.00 0.29 H new ATOM 0 HE22 GLN A 61 -1.244 -8.364 -3.870 1.00 0.29 H new ATOM 895 N GLU A 62 4.738 -8.380 -0.033 1.00 0.20 N ATOM 896 CA GLU A 62 5.998 -8.705 0.620 1.00 0.22 C ATOM 897 C GLU A 62 6.383 -7.664 1.669 1.00 0.22 C ATOM 898 O GLU A 62 6.673 -7.989 2.818 1.00 0.25 O ATOM 899 CB GLU A 62 7.079 -8.864 -0.471 1.00 0.26 C ATOM 900 CG GLU A 62 7.974 -10.097 -0.317 1.00 0.36 C ATOM 901 CD GLU A 62 9.174 -9.784 0.565 1.00 1.18 C ATOM 902 OE1 GLU A 62 10.008 -8.976 0.095 1.00 2.51 O ATOM 903 OE2 GLU A 62 9.240 -10.282 1.705 1.00 1.74 O ATOM 0 H GLU A 62 4.769 -8.509 -1.044 1.00 0.20 H new ATOM 0 HA GLU A 62 5.897 -9.642 1.167 1.00 0.22 H new ATOM 0 HB2 GLU A 62 6.589 -8.908 -1.444 1.00 0.26 H new ATOM 0 HB3 GLU A 62 7.708 -7.974 -0.471 1.00 0.26 H new ATOM 0 HG2 GLU A 62 7.401 -10.916 0.117 1.00 0.36 H new ATOM 0 HG3 GLU A 62 8.314 -10.430 -1.297 1.00 0.36 H new ATOM 910 N LYS A 63 6.389 -6.392 1.280 1.00 0.23 N ATOM 911 CA LYS A 63 6.694 -5.341 2.220 1.00 0.26 C ATOM 912 C LYS A 63 5.565 -5.151 3.232 1.00 0.26 C ATOM 913 O LYS A 63 5.862 -5.022 4.417 1.00 0.27 O ATOM 914 CB LYS A 63 7.092 -4.082 1.455 1.00 0.30 C ATOM 915 CG LYS A 63 8.598 -3.796 1.581 1.00 0.37 C ATOM 916 CD LYS A 63 9.485 -4.844 0.876 1.00 0.45 C ATOM 917 CE LYS A 63 10.007 -5.973 1.787 1.00 1.17 C ATOM 918 NZ LYS A 63 10.944 -6.869 1.084 1.00 2.08 N ATOM 0 H LYS A 63 6.188 -6.076 0.331 1.00 0.23 H new ATOM 0 HA LYS A 63 7.553 -5.616 2.831 1.00 0.26 H new ATOM 0 HB2 LYS A 63 6.829 -4.196 0.403 1.00 0.30 H new ATOM 0 HB3 LYS A 63 6.526 -3.231 1.834 1.00 0.30 H new ATOM 0 HG2 LYS A 63 8.809 -2.812 1.162 1.00 0.37 H new ATOM 0 HG3 LYS A 63 8.865 -3.757 2.637 1.00 0.37 H new ATOM 0 HD2 LYS A 63 8.916 -5.290 0.060 1.00 0.45 H new ATOM 0 HD3 LYS A 63 10.338 -4.334 0.429 1.00 0.45 H new ATOM 0 HE2 LYS A 63 10.505 -5.537 2.653 1.00 1.17 H new ATOM 0 HE3 LYS A 63 9.164 -6.554 2.162 1.00 1.17 H new ATOM 0 HZ1 LYS A 63 11.542 -7.360 1.779 1.00 2.08 H new ATOM 0 HZ2 LYS A 63 10.408 -7.569 0.533 1.00 2.08 H new ATOM 0 HZ3 LYS A 63 11.544 -6.311 0.444 1.00 2.08 H new ATOM 932 N ILE A 64 4.294 -5.154 2.817 1.00 0.26 N ATOM 933 CA ILE A 64 3.177 -4.967 3.722 1.00 0.24 C ATOM 934 C ILE A 64 3.276 -5.960 4.897 1.00 0.20 C ATOM 935 O ILE A 64 3.127 -5.572 6.058 1.00 0.21 O ATOM 936 CB ILE A 64 1.826 -5.119 3.004 1.00 0.28 C ATOM 937 CG1 ILE A 64 1.512 -4.064 1.935 1.00 0.38 C ATOM 938 CG2 ILE A 64 0.742 -5.055 4.083 1.00 0.27 C ATOM 939 CD1 ILE A 64 1.493 -2.655 2.503 1.00 0.34 C ATOM 0 H ILE A 64 4.021 -5.287 1.843 1.00 0.26 H new ATOM 0 HA ILE A 64 3.228 -3.948 4.106 1.00 0.24 H new ATOM 0 HB ILE A 64 1.865 -6.064 2.462 1.00 0.28 H new ATOM 0 HG12 ILE A 64 2.256 -4.123 1.140 1.00 0.38 H new ATOM 0 HG13 ILE A 64 0.545 -4.284 1.483 1.00 0.38 H new ATOM 0 HG21 ILE A 64 -0.239 -5.159 3.620 1.00 0.27 H new ATOM 0 HG22 ILE A 64 0.893 -5.863 4.799 1.00 0.27 H new ATOM 0 HG23 ILE A 64 0.799 -4.097 4.600 1.00 0.27 H new ATOM 0 HD11 ILE A 64 1.266 -1.945 1.708 1.00 0.34 H new ATOM 0 HD12 ILE A 64 0.731 -2.586 3.279 1.00 0.34 H new ATOM 0 HD13 ILE A 64 2.468 -2.422 2.930 1.00 0.34 H new ATOM 951 N GLU A 65 3.566 -7.231 4.595 1.00 0.18 N ATOM 952 CA GLU A 65 3.800 -8.238 5.619 1.00 0.18 C ATOM 953 C GLU A 65 4.825 -7.726 6.641 1.00 0.21 C ATOM 954 O GLU A 65 4.581 -7.756 7.845 1.00 0.26 O ATOM 955 CB GLU A 65 4.242 -9.539 4.938 1.00 0.18 C ATOM 956 CG GLU A 65 3.055 -10.343 4.386 1.00 0.19 C ATOM 957 CD GLU A 65 2.573 -11.391 5.383 1.00 0.30 C ATOM 958 OE1 GLU A 65 3.246 -12.442 5.457 1.00 1.82 O ATOM 959 OE2 GLU A 65 1.552 -11.126 6.053 1.00 1.61 O ATOM 0 H GLU A 65 3.643 -7.582 3.640 1.00 0.18 H new ATOM 0 HA GLU A 65 2.884 -8.442 6.174 1.00 0.18 H new ATOM 0 HB2 GLU A 65 4.929 -9.305 4.124 1.00 0.18 H new ATOM 0 HB3 GLU A 65 4.791 -10.152 5.653 1.00 0.18 H new ATOM 0 HG2 GLU A 65 2.236 -9.665 4.146 1.00 0.19 H new ATOM 0 HG3 GLU A 65 3.347 -10.832 3.457 1.00 0.19 H new ATOM 966 N LYS A 66 5.963 -7.199 6.177 1.00 0.21 N ATOM 967 CA LYS A 66 7.005 -6.683 7.050 1.00 0.27 C ATOM 968 C LYS A 66 6.641 -5.386 7.761 1.00 0.28 C ATOM 969 O LYS A 66 7.105 -5.161 8.876 1.00 0.35 O ATOM 970 CB LYS A 66 8.311 -6.552 6.280 1.00 0.31 C ATOM 971 CG LYS A 66 9.497 -6.613 7.255 1.00 0.70 C ATOM 972 CD LYS A 66 10.840 -6.811 6.545 1.00 1.52 C ATOM 973 CE LYS A 66 11.221 -8.300 6.508 1.00 1.93 C ATOM 974 NZ LYS A 66 12.607 -8.517 6.043 1.00 3.25 N ATOM 0 H LYS A 66 6.181 -7.121 5.184 1.00 0.21 H new ATOM 0 HA LYS A 66 7.127 -7.412 7.851 1.00 0.27 H new ATOM 0 HB2 LYS A 66 8.392 -7.352 5.544 1.00 0.31 H new ATOM 0 HB3 LYS A 66 8.328 -5.611 5.731 1.00 0.31 H new ATOM 0 HG2 LYS A 66 9.531 -5.692 7.837 1.00 0.70 H new ATOM 0 HG3 LYS A 66 9.340 -7.429 7.960 1.00 0.70 H new ATOM 0 HD2 LYS A 66 10.781 -6.420 5.529 1.00 1.52 H new ATOM 0 HD3 LYS A 66 11.616 -6.245 7.060 1.00 1.52 H new ATOM 0 HE2 LYS A 66 11.104 -8.727 7.504 1.00 1.93 H new ATOM 0 HE3 LYS A 66 10.533 -8.832 5.851 1.00 1.93 H new ATOM 0 HZ1 LYS A 66 12.815 -9.536 6.036 1.00 3.25 H new ATOM 0 HZ2 LYS A 66 12.715 -8.135 5.082 1.00 3.25 H new ATOM 0 HZ3 LYS A 66 13.268 -8.033 6.684 1.00 3.25 H new ATOM 988 N LEU A 67 5.813 -4.534 7.150 1.00 0.28 N ATOM 989 CA LEU A 67 5.190 -3.436 7.865 1.00 0.29 C ATOM 990 C LEU A 67 4.422 -3.954 9.089 1.00 0.26 C ATOM 991 O LEU A 67 4.181 -3.188 10.019 1.00 0.29 O ATOM 992 CB LEU A 67 4.286 -2.642 6.907 1.00 0.31 C ATOM 993 CG LEU A 67 4.993 -1.540 6.109 1.00 0.39 C ATOM 994 CD1 LEU A 67 5.591 -0.486 7.044 1.00 0.91 C ATOM 995 CD2 LEU A 67 6.044 -2.024 5.109 1.00 0.57 C ATOM 0 H LEU A 67 5.564 -4.590 6.163 1.00 0.28 H new ATOM 0 HA LEU A 67 5.960 -2.760 8.237 1.00 0.29 H new ATOM 0 HB2 LEU A 67 3.826 -3.338 6.206 1.00 0.31 H new ATOM 0 HB3 LEU A 67 3.479 -2.190 7.484 1.00 0.31 H new ATOM 0 HG LEU A 67 4.205 -1.097 5.499 1.00 0.39 H new ATOM 0 HD11 LEU A 67 6.087 0.285 6.454 1.00 0.91 H new ATOM 0 HD12 LEU A 67 4.797 -0.033 7.638 1.00 0.91 H new ATOM 0 HD13 LEU A 67 6.316 -0.958 7.707 1.00 0.91 H new ATOM 0 HD21 LEU A 67 6.483 -1.167 4.599 1.00 0.57 H new ATOM 0 HD22 LEU A 67 6.825 -2.570 5.638 1.00 0.57 H new ATOM 0 HD23 LEU A 67 5.574 -2.681 4.377 1.00 0.57 H new ATOM 1007 N GLY A 68 4.057 -5.241 9.105 1.00 0.23 N ATOM 1008 CA GLY A 68 3.413 -5.894 10.229 1.00 0.24 C ATOM 1009 C GLY A 68 1.905 -5.885 10.041 1.00 0.25 C ATOM 1010 O GLY A 68 1.166 -5.863 11.024 1.00 0.30 O ATOM 0 H GLY A 68 4.209 -5.865 8.312 1.00 0.23 H new ATOM 0 HA2 GLY A 68 3.771 -6.920 10.318 1.00 0.24 H new ATOM 0 HA3 GLY A 68 3.675 -5.384 11.156 1.00 0.24 H new ATOM 1014 N TYR A 69 1.447 -5.881 8.784 1.00 0.24 N ATOM 1015 CA TYR A 69 0.024 -5.887 8.465 1.00 0.27 C ATOM 1016 C TYR A 69 -0.215 -6.855 7.320 1.00 0.27 C ATOM 1017 O TYR A 69 0.736 -7.289 6.678 1.00 0.29 O ATOM 1018 CB TYR A 69 -0.442 -4.476 8.092 1.00 0.28 C ATOM 1019 CG TYR A 69 -0.266 -3.467 9.206 1.00 0.32 C ATOM 1020 CD1 TYR A 69 0.996 -2.898 9.424 1.00 1.51 C ATOM 1021 CD2 TYR A 69 -1.351 -3.091 10.018 1.00 1.68 C ATOM 1022 CE1 TYR A 69 1.184 -1.958 10.446 1.00 1.51 C ATOM 1023 CE2 TYR A 69 -1.173 -2.118 11.018 1.00 1.71 C ATOM 1024 CZ TYR A 69 0.095 -1.552 11.233 1.00 0.43 C ATOM 1025 OH TYR A 69 0.250 -0.565 12.159 1.00 0.53 O ATOM 0 H TYR A 69 2.055 -5.874 7.965 1.00 0.24 H new ATOM 0 HA TYR A 69 -0.550 -6.208 9.334 1.00 0.27 H new ATOM 0 HB2 TYR A 69 0.112 -4.139 7.216 1.00 0.28 H new ATOM 0 HB3 TYR A 69 -1.494 -4.513 7.809 1.00 0.28 H new ATOM 0 HD1 TYR A 69 1.829 -3.186 8.800 1.00 1.51 H new ATOM 0 HD2 TYR A 69 -2.319 -3.548 9.874 1.00 1.68 H new ATOM 0 HE1 TYR A 69 2.166 -1.546 10.628 1.00 1.51 H new ATOM 0 HE2 TYR A 69 -2.012 -1.805 11.622 1.00 1.71 H new ATOM 0 HH TYR A 69 -0.603 -0.407 12.615 1.00 0.53 H new ATOM 1035 N HIS A 70 -1.481 -7.174 7.049 1.00 0.35 N ATOM 1036 CA HIS A 70 -1.867 -8.010 5.936 1.00 0.38 C ATOM 1037 C HIS A 70 -2.792 -7.175 5.060 1.00 0.31 C ATOM 1038 O HIS A 70 -3.800 -6.656 5.538 1.00 0.33 O ATOM 1039 CB HIS A 70 -2.522 -9.328 6.385 1.00 0.57 C ATOM 1040 CG HIS A 70 -2.739 -9.581 7.860 1.00 1.92 C ATOM 1041 ND1 HIS A 70 -3.375 -8.759 8.750 1.00 3.45 N flip ATOM 1042 CD2 HIS A 70 -2.563 -10.793 8.489 1.00 2.65 C flip ATOM 1043 CE1 HIS A 70 -3.585 -9.466 9.934 1.00 4.49 C flip ATOM 1044 NE2 HIS A 70 -3.074 -10.690 9.729 1.00 4.01 N flip ATOM 0 H HIS A 70 -2.269 -6.850 7.609 1.00 0.35 H new ATOM 0 HA HIS A 70 -0.986 -8.321 5.375 1.00 0.38 H new ATOM 0 HB2 HIS A 70 -3.493 -9.395 5.895 1.00 0.57 H new ATOM 0 HB3 HIS A 70 -1.913 -10.145 5.999 1.00 0.57 H new ATOM 0 HD2 HIS A 70 -2.098 -11.670 8.063 1.00 2.65 H new ATOM 0 HE1 HIS A 70 -4.062 -9.103 10.832 1.00 4.49 H new ATOM 0 HE2 HIS A 70 -3.073 -11.440 10.420 1.00 4.01 H new ATOM 1052 N VAL A 71 -2.425 -7.025 3.790 1.00 0.30 N ATOM 1053 CA VAL A 71 -3.273 -6.397 2.786 1.00 0.28 C ATOM 1054 C VAL A 71 -4.114 -7.466 2.089 1.00 0.35 C ATOM 1055 O VAL A 71 -3.691 -8.619 2.015 1.00 0.54 O ATOM 1056 CB VAL A 71 -2.419 -5.577 1.808 1.00 0.31 C ATOM 1057 CG1 VAL A 71 -1.615 -6.445 0.836 1.00 0.48 C ATOM 1058 CG2 VAL A 71 -3.273 -4.584 1.032 1.00 0.35 C ATOM 0 H VAL A 71 -1.524 -7.339 3.428 1.00 0.30 H new ATOM 0 HA VAL A 71 -3.962 -5.698 3.259 1.00 0.28 H new ATOM 0 HB VAL A 71 -1.702 -5.034 2.423 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -1.033 -5.805 0.172 1.00 0.48 H new ATOM 0 HG12 VAL A 71 -0.942 -7.092 1.398 1.00 0.48 H new ATOM 0 HG13 VAL A 71 -2.297 -7.056 0.245 1.00 0.48 H new ATOM 0 HG21 VAL A 71 -2.641 -4.018 0.348 1.00 0.35 H new ATOM 0 HG22 VAL A 71 -4.032 -5.122 0.464 1.00 0.35 H new ATOM 0 HG23 VAL A 71 -3.758 -3.900 1.728 1.00 0.35 H new ATOM 1068 N VAL A 72 -5.288 -7.091 1.573 1.00 0.27 N ATOM 1069 CA VAL A 72 -6.164 -8.005 0.849 1.00 0.39 C ATOM 1070 C VAL A 72 -6.470 -7.455 -0.543 1.00 0.57 C ATOM 1071 O VAL A 72 -7.382 -6.653 -0.726 1.00 1.43 O ATOM 1072 CB VAL A 72 -7.448 -8.295 1.639 1.00 0.57 C ATOM 1073 CG1 VAL A 72 -7.275 -9.508 2.546 1.00 0.71 C ATOM 1074 CG2 VAL A 72 -7.906 -7.123 2.511 1.00 0.96 C ATOM 0 H VAL A 72 -5.655 -6.142 1.648 1.00 0.27 H new ATOM 0 HA VAL A 72 -5.644 -8.956 0.730 1.00 0.39 H new ATOM 0 HB VAL A 72 -8.208 -8.480 0.880 1.00 0.57 H new ATOM 0 HG11 VAL A 72 -8.201 -9.689 3.093 1.00 0.71 H new ATOM 0 HG12 VAL A 72 -7.034 -10.383 1.942 1.00 0.71 H new ATOM 0 HG13 VAL A 72 -6.467 -9.321 3.253 1.00 0.71 H new ATOM 0 HG21 VAL A 72 -8.818 -7.398 3.040 1.00 0.96 H new ATOM 0 HG22 VAL A 72 -7.126 -6.880 3.233 1.00 0.96 H new ATOM 0 HG23 VAL A 72 -8.100 -6.255 1.881 1.00 0.96 H new ATOM 1084 N ILE A 73 -5.716 -7.921 -1.538 1.00 0.76 N ATOM 1085 CA ILE A 73 -5.964 -7.629 -2.941 1.00 0.73 C ATOM 1086 C ILE A 73 -6.772 -8.778 -3.532 1.00 1.10 C ATOM 1087 O ILE A 73 -6.207 -9.772 -3.985 1.00 1.69 O ATOM 1088 CB ILE A 73 -4.648 -7.392 -3.703 1.00 1.31 C ATOM 1089 CG1 ILE A 73 -3.810 -6.353 -2.941 1.00 1.74 C ATOM 1090 CG2 ILE A 73 -4.980 -6.926 -5.131 1.00 1.31 C ATOM 1091 CD1 ILE A 73 -2.653 -5.785 -3.756 1.00 1.26 C ATOM 0 H ILE A 73 -4.905 -8.520 -1.385 1.00 0.76 H new ATOM 0 HA ILE A 73 -6.535 -6.706 -3.035 1.00 0.73 H new ATOM 0 HB ILE A 73 -4.063 -8.309 -3.773 1.00 1.31 H new ATOM 0 HG12 ILE A 73 -4.458 -5.535 -2.627 1.00 1.74 H new ATOM 0 HG13 ILE A 73 -3.414 -6.812 -2.035 1.00 1.74 H new ATOM 0 HG21 ILE A 73 -4.055 -6.754 -5.682 1.00 1.31 H new ATOM 0 HG22 ILE A 73 -5.567 -7.693 -5.637 1.00 1.31 H new ATOM 0 HG23 ILE A 73 -5.554 -6.000 -5.087 1.00 1.31 H new ATOM 0 HD11 ILE A 73 -2.106 -5.059 -3.155 1.00 1.26 H new ATOM 0 HD12 ILE A 73 -1.982 -6.593 -4.048 1.00 1.26 H new ATOM 0 HD13 ILE A 73 -3.042 -5.297 -4.649 1.00 1.26 H new ATOM 1103 N GLU A 74 -8.093 -8.626 -3.548 1.00 1.23 N ATOM 1104 CA GLU A 74 -8.993 -9.482 -4.292 1.00 1.95 C ATOM 1105 C GLU A 74 -10.208 -8.643 -4.680 1.00 1.72 C ATOM 1106 O GLU A 74 -10.391 -7.536 -4.172 1.00 1.88 O ATOM 1107 CB GLU A 74 -9.372 -10.723 -3.470 1.00 3.20 C ATOM 1108 CG GLU A 74 -9.918 -10.382 -2.074 1.00 3.17 C ATOM 1109 CD GLU A 74 -11.052 -11.320 -1.682 1.00 3.92 C ATOM 1110 OE1 GLU A 74 -12.073 -11.292 -2.405 1.00 4.01 O ATOM 1111 OE2 GLU A 74 -10.874 -12.054 -0.688 1.00 5.02 O ATOM 0 H GLU A 74 -8.571 -7.888 -3.032 1.00 1.23 H new ATOM 0 HA GLU A 74 -8.515 -9.860 -5.195 1.00 1.95 H new ATOM 0 HB2 GLU A 74 -10.121 -11.297 -4.016 1.00 3.20 H new ATOM 0 HB3 GLU A 74 -8.495 -11.362 -3.364 1.00 3.20 H new ATOM 0 HG2 GLU A 74 -9.115 -10.451 -1.340 1.00 3.17 H new ATOM 0 HG3 GLU A 74 -10.274 -9.352 -2.061 1.00 3.17 H new ATOM 1118 N GLY A 75 -11.022 -9.165 -5.595 1.00 2.15 N ATOM 1119 CA GLY A 75 -12.266 -8.540 -6.005 1.00 2.90 C ATOM 1120 C GLY A 75 -12.033 -7.572 -7.159 1.00 2.79 C ATOM 1121 O GLY A 75 -12.165 -7.968 -8.316 1.00 3.58 O ATOM 0 H GLY A 75 -10.829 -10.044 -6.075 1.00 2.15 H new ATOM 0 HA2 GLY A 75 -12.981 -9.306 -6.306 1.00 2.90 H new ATOM 0 HA3 GLY A 75 -12.706 -8.008 -5.162 1.00 2.90 H new ATOM 1125 N ARG A 76 -11.714 -6.313 -6.856 1.00 3.07 N ATOM 1126 CA ARG A 76 -11.604 -5.222 -7.809 1.00 3.94 C ATOM 1127 C ARG A 76 -10.774 -4.129 -7.146 1.00 5.07 C ATOM 1128 O ARG A 76 -10.320 -3.236 -7.894 1.00 5.62 O ATOM 1129 CB ARG A 76 -13.001 -4.669 -8.153 1.00 5.13 C ATOM 1130 CG ARG A 76 -13.554 -5.191 -9.487 1.00 5.76 C ATOM 1131 CD ARG A 76 -12.879 -4.525 -10.693 1.00 5.88 C ATOM 1132 NE ARG A 76 -13.222 -3.096 -10.770 1.00 7.13 N ATOM 1133 CZ ARG A 76 -12.805 -2.255 -11.729 1.00 7.82 C ATOM 1134 NH1 ARG A 76 -11.989 -2.699 -12.691 1.00 7.45 N ATOM 1135 NH2 ARG A 76 -13.217 -0.982 -11.729 1.00 9.32 N ATOM 1136 OXT ARG A 76 -10.649 -4.205 -5.903 1.00 6.10 O ATOM 0 H ARG A 76 -11.518 -6.020 -5.899 1.00 3.07 H new ATOM 0 HA ARG A 76 -11.139 -5.568 -8.732 1.00 3.94 H new ATOM 0 HB2 ARG A 76 -13.694 -4.931 -7.354 1.00 5.13 H new ATOM 0 HB3 ARG A 76 -12.954 -3.581 -8.189 1.00 5.13 H new ATOM 0 HG2 ARG A 76 -13.409 -6.270 -9.541 1.00 5.76 H new ATOM 0 HG3 ARG A 76 -14.628 -5.011 -9.529 1.00 5.76 H new ATOM 0 HD2 ARG A 76 -11.798 -4.639 -10.617 1.00 5.88 H new ATOM 0 HD3 ARG A 76 -13.189 -5.026 -11.610 1.00 5.88 H new ATOM 0 HE ARG A 76 -13.823 -2.716 -10.039 1.00 7.13 H new ATOM 0 HH11 ARG A 76 -11.686 -3.673 -12.694 1.00 7.45 H new ATOM 0 HH12 ARG A 76 -11.669 -2.064 -13.422 1.00 7.45 H new ATOM 0 HH21 ARG A 76 -13.848 -0.650 -11.000 1.00 9.32 H new ATOM 0 HH22 ARG A 76 -12.900 -0.343 -12.458 1.00 9.32 H new TER 1150 ARG A 76