USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl 178:sc= -3.23! (180deg=-3.25!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -1 (180deg=-1.12) USER MOD Single : A 2 SER OG : rot 180:sc= 0.137 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -95:sc= -0.451 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.026) USER MOD Single : A 25 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.2!) USER MOD Single : A 28 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-1.1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= -0.0268! (180deg=-0.515!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.33) USER MOD Single : A 46 MET CE :methyl 145:sc= -1.19 (180deg=-4.63!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.7) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 52:sc= 0.305 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 94:sc= 1.09 USER MOD Single : A 71 MET CE :methyl 147:sc= -1.61 (180deg=-4.87!) USER MOD Single : A 76 THR OG1 : rot -89:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -168:sc= -4.67 (180deg=-5.14) USER MOD Single : A 95 GLN : amide:sc= -0.558 K(o=-0.56,f=-1.1) USER MOD Single : A 108 SER OG : rot 100:sc= -1.07 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 160:sc= -2.08! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.137 2.242 -4.575 1.00 2.12 N ATOM 2 CA MET A 1 4.869 2.007 -3.162 1.00 55.40 C ATOM 3 C MET A 1 5.106 0.545 -2.798 1.00 43.44 C ATOM 4 O MET A 1 5.343 0.215 -1.636 1.00 21.44 O ATOM 5 CB MET A 1 3.431 2.403 -2.821 1.00 1.43 C ATOM 6 CG MET A 1 2.390 1.708 -3.684 1.00 14.10 C ATOM 7 SD MET A 1 0.779 2.516 -3.614 1.00 63.13 S ATOM 8 CE MET A 1 -0.200 1.406 -4.622 1.00 63.32 C ATOM 0 H1 MET A 1 4.904 3.227 -4.813 1.00 2.12 H new ATOM 0 H2 MET A 1 6.143 2.067 -4.771 1.00 2.12 H new ATOM 0 H3 MET A 1 4.555 1.600 -5.150 1.00 2.12 H new ATOM 0 HA MET A 1 5.556 2.623 -2.581 1.00 55.40 H new ATOM 0 HB2 MET A 1 3.237 2.171 -1.774 1.00 1.43 H new ATOM 0 HB3 MET A 1 3.323 3.482 -2.933 1.00 1.43 H new ATOM 0 HG2 MET A 1 2.736 1.686 -4.717 1.00 14.10 H new ATOM 0 HG3 MET A 1 2.287 0.672 -3.360 1.00 14.10 H new ATOM 0 HE1 MET A 1 -1.225 1.772 -4.675 1.00 63.32 H new ATOM 0 HE2 MET A 1 0.221 1.360 -5.626 1.00 63.32 H new ATOM 0 HE3 MET A 1 -0.192 0.410 -4.179 1.00 63.32 H new ATOM 18 N SER A 2 5.040 -0.327 -3.799 1.00 54.23 N ATOM 19 CA SER A 2 5.243 -1.755 -3.583 1.00 32.41 C ATOM 20 C SER A 2 6.545 -2.010 -2.830 1.00 10.23 C ATOM 21 O SER A 2 7.579 -1.415 -3.134 1.00 4.44 O ATOM 22 CB SER A 2 5.260 -2.496 -4.922 1.00 33.45 C ATOM 23 OG SER A 2 4.962 -1.620 -5.994 1.00 15.20 O ATOM 0 H SER A 2 4.848 -0.070 -4.767 1.00 54.23 H new ATOM 0 HA SER A 2 4.416 -2.129 -2.979 1.00 32.41 H new ATOM 0 HB2 SER A 2 6.240 -2.947 -5.079 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.534 -3.309 -4.900 1.00 33.45 H new ATOM 0 HG SER A 2 4.981 -2.118 -6.838 1.00 15.20 H new ATOM 29 N LEU A 3 6.486 -2.901 -1.846 1.00 73.31 N ATOM 30 CA LEU A 3 7.659 -3.237 -1.047 1.00 75.02 C ATOM 31 C LEU A 3 8.696 -3.978 -1.887 1.00 14.53 C ATOM 32 O LEU A 3 8.354 -4.665 -2.851 1.00 42.22 O ATOM 33 CB LEU A 3 7.255 -4.094 0.154 1.00 63.32 C ATOM 34 CG LEU A 3 7.265 -3.392 1.513 1.00 12.11 C ATOM 35 CD1 LEU A 3 6.362 -4.119 2.496 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.684 -3.300 2.055 1.00 14.33 C ATOM 0 H LEU A 3 5.638 -3.404 -1.583 1.00 73.31 H new ATOM 0 HA LEU A 3 8.103 -2.307 -0.690 1.00 75.02 H new ATOM 0 HB2 LEU A 3 6.253 -4.484 -0.024 1.00 63.32 H new ATOM 0 HB3 LEU A 3 7.926 -4.951 0.205 1.00 63.32 H new ATOM 0 HG LEU A 3 6.882 -2.380 1.381 1.00 12.11 H new ATOM 0 HD11 LEU A 3 6.382 -3.605 3.457 1.00 30.40 H new ATOM 0 HD12 LEU A 3 5.342 -4.131 2.112 1.00 30.40 H new ATOM 0 HD13 LEU A 3 6.714 -5.143 2.625 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.672 -2.798 3.022 1.00 14.33 H new ATOM 0 HD22 LEU A 3 9.095 -4.303 2.172 1.00 14.33 H new ATOM 0 HD23 LEU A 3 9.303 -2.733 1.360 1.00 14.33 H new ATOM 48 N LYS A 4 9.963 -3.834 -1.515 1.00 74.23 N ATOM 49 CA LYS A 4 11.050 -4.490 -2.230 1.00 53.11 C ATOM 50 C LYS A 4 10.900 -6.007 -2.175 1.00 23.13 C ATOM 51 O LYS A 4 10.813 -6.670 -3.210 1.00 33.14 O ATOM 52 CB LYS A 4 12.400 -4.079 -1.638 1.00 4.34 C ATOM 53 CG LYS A 4 12.882 -2.719 -2.109 1.00 14.11 C ATOM 54 CD LYS A 4 13.388 -1.874 -0.951 1.00 62.11 C ATOM 55 CE LYS A 4 12.242 -1.367 -0.089 1.00 4.50 C ATOM 56 NZ LYS A 4 12.582 -0.087 0.590 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.262 -3.268 -0.721 1.00 74.23 H new ATOM 0 HA LYS A 4 11.007 -4.175 -3.273 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.323 -4.071 -0.551 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.146 -4.830 -1.900 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.679 -2.848 -2.842 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.068 -2.198 -2.612 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.071 -2.464 -0.340 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.956 -1.028 -1.338 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.357 -1.225 -0.709 1.00 4.50 H new ATOM 0 HE3 LYS A 4 11.990 -2.119 0.659 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.775 0.225 1.167 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 13.411 -0.228 1.202 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.798 0.638 -0.124 1.00 25.42 H new ATOM 70 N SER A 5 10.868 -6.551 -0.963 1.00 45.41 N ATOM 71 CA SER A 5 10.730 -7.990 -0.774 1.00 45.22 C ATOM 72 C SER A 5 9.631 -8.553 -1.669 1.00 54.53 C ATOM 73 O SER A 5 9.688 -9.709 -2.089 1.00 44.30 O ATOM 74 CB SER A 5 10.423 -8.306 0.691 1.00 53.55 C ATOM 75 OG SER A 5 11.512 -7.957 1.528 1.00 22.21 O ATOM 0 H SER A 5 10.936 -6.017 -0.097 1.00 45.41 H new ATOM 0 HA SER A 5 11.674 -8.460 -1.049 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.531 -7.763 1.004 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.204 -9.368 0.799 1.00 53.55 H new ATOM 0 HG SER A 5 12.071 -8.747 1.684 1.00 22.21 H new ATOM 81 N ASP A 6 8.631 -7.727 -1.957 1.00 52.44 N ATOM 82 CA ASP A 6 7.518 -8.141 -2.804 1.00 71.01 C ATOM 83 C ASP A 6 8.021 -8.682 -4.138 1.00 21.35 C ATOM 84 O ASP A 6 7.624 -9.763 -4.570 1.00 22.51 O ATOM 85 CB ASP A 6 6.567 -6.967 -3.042 1.00 22.02 C ATOM 86 CG ASP A 6 5.142 -7.418 -3.294 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.439 -7.741 -2.313 1.00 43.34 O ATOM 88 OD2 ASP A 6 4.729 -7.447 -4.471 1.00 45.13 O1- ATOM 0 H ASP A 6 8.568 -6.767 -1.617 1.00 52.44 H new ATOM 0 HA ASP A 6 6.980 -8.937 -2.290 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.588 -6.305 -2.176 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.918 -6.387 -3.895 1.00 22.02 H new ATOM 93 N GLU A 7 8.899 -7.922 -4.787 1.00 34.23 N ATOM 94 CA GLU A 7 9.455 -8.325 -6.072 1.00 34.02 C ATOM 95 C GLU A 7 10.031 -9.736 -5.997 1.00 65.44 C ATOM 96 O GLU A 7 9.937 -10.510 -6.950 1.00 4.31 O ATOM 97 CB GLU A 7 10.540 -7.342 -6.516 1.00 60.23 C ATOM 98 CG GLU A 7 10.744 -7.298 -8.021 1.00 53.31 C ATOM 99 CD GLU A 7 10.208 -6.025 -8.646 1.00 52.50 C ATOM 100 OE1 GLU A 7 8.983 -5.796 -8.568 1.00 42.03 O ATOM 101 OE2 GLU A 7 11.013 -5.258 -9.213 1.00 23.23 O1- ATOM 0 H GLU A 7 9.240 -7.024 -4.443 1.00 34.23 H new ATOM 0 HA GLU A 7 8.648 -8.319 -6.805 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.280 -6.344 -6.164 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.481 -7.613 -6.038 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.808 -7.387 -8.242 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.251 -8.157 -8.476 1.00 53.31 H new ATOM 108 N VAL A 8 10.630 -10.064 -4.857 1.00 74.30 N ATOM 109 CA VAL A 8 11.223 -11.381 -4.656 1.00 35.34 C ATOM 110 C VAL A 8 10.196 -12.486 -4.879 1.00 41.31 C ATOM 111 O VAL A 8 10.370 -13.345 -5.744 1.00 60.20 O ATOM 112 CB VAL A 8 11.812 -11.521 -3.240 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.436 -12.896 -3.054 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.831 -10.424 -2.976 1.00 74.14 C ATOM 0 H VAL A 8 10.718 -9.436 -4.058 1.00 74.30 H new ATOM 0 HA VAL A 8 12.025 -11.482 -5.387 1.00 35.34 H new ATOM 0 HB VAL A 8 11.003 -11.415 -2.517 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.847 -12.976 -2.048 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.675 -13.663 -3.197 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.234 -13.035 -3.784 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.237 -10.539 -1.971 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.639 -10.495 -3.704 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.349 -9.451 -3.064 1.00 74.14 H new ATOM 124 N PHE A 9 9.124 -12.456 -4.094 1.00 5.40 N ATOM 125 CA PHE A 9 8.068 -13.456 -4.205 1.00 4.42 C ATOM 126 C PHE A 9 7.606 -13.600 -5.653 1.00 14.12 C ATOM 127 O PHE A 9 7.459 -14.711 -6.161 1.00 72.03 O ATOM 128 CB PHE A 9 6.883 -13.077 -3.314 1.00 14.30 C ATOM 129 CG PHE A 9 7.279 -12.713 -1.912 1.00 1.13 C ATOM 130 CD1 PHE A 9 8.104 -13.545 -1.173 1.00 71.40 C ATOM 131 CD2 PHE A 9 6.828 -11.537 -1.335 1.00 64.03 C ATOM 132 CE1 PHE A 9 8.470 -13.211 0.118 1.00 70.23 C ATOM 133 CE2 PHE A 9 7.190 -11.198 -0.045 1.00 45.45 C ATOM 134 CZ PHE A 9 8.014 -12.037 0.682 1.00 3.11 C ATOM 0 H PHE A 9 8.964 -11.751 -3.375 1.00 5.40 H new ATOM 0 HA PHE A 9 8.471 -14.413 -3.874 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.355 -12.236 -3.764 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.183 -13.912 -3.280 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.465 -14.464 -1.610 1.00 71.40 H new ATOM 0 HD2 PHE A 9 6.186 -10.877 -1.900 1.00 64.03 H new ATOM 0 HE1 PHE A 9 9.112 -13.869 0.685 1.00 70.23 H new ATOM 0 HE2 PHE A 9 6.830 -10.279 0.394 1.00 45.45 H new ATOM 0 HZ PHE A 9 8.300 -11.774 1.690 1.00 3.11 H new ATOM 144 N ALA A 10 7.377 -12.467 -6.310 1.00 54.15 N ATOM 145 CA ALA A 10 6.933 -12.467 -7.697 1.00 71.40 C ATOM 146 C ALA A 10 7.978 -13.101 -8.609 1.00 23.42 C ATOM 147 O ALA A 10 7.648 -13.889 -9.496 1.00 32.34 O ATOM 148 CB ALA A 10 6.625 -11.047 -8.153 1.00 11.12 C ATOM 0 H ALA A 10 7.492 -11.539 -5.903 1.00 54.15 H new ATOM 0 HA ALA A 10 6.023 -13.064 -7.760 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.294 -11.062 -9.192 1.00 11.12 H new ATOM 0 HB2 ALA A 10 5.838 -10.627 -7.527 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.522 -10.434 -8.067 1.00 11.12 H new ATOM 154 N LYS A 11 9.241 -12.752 -8.386 1.00 53.04 N ATOM 155 CA LYS A 11 10.335 -13.287 -9.187 1.00 71.11 C ATOM 156 C LYS A 11 10.376 -14.810 -9.104 1.00 34.23 C ATOM 157 O LYS A 11 10.426 -15.494 -10.127 1.00 35.32 O ATOM 158 CB LYS A 11 11.670 -12.704 -8.717 1.00 75.32 C ATOM 159 CG LYS A 11 11.965 -11.326 -9.283 1.00 51.04 C ATOM 160 CD LYS A 11 12.136 -11.367 -10.792 1.00 31.12 C ATOM 161 CE LYS A 11 12.622 -10.032 -11.336 1.00 2.51 C ATOM 162 NZ LYS A 11 11.490 -9.148 -11.727 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.532 -12.101 -7.657 1.00 53.04 H new ATOM 0 HA LYS A 11 10.166 -13.002 -10.225 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.669 -12.648 -7.628 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.474 -13.384 -9.001 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.153 -10.645 -9.026 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.871 -10.930 -8.824 1.00 51.04 H new ATOM 0 HD2 LYS A 11 12.847 -12.149 -11.057 1.00 31.12 H new ATOM 0 HD3 LYS A 11 11.186 -11.627 -11.260 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.230 -9.532 -10.582 1.00 2.51 H new ATOM 0 HE3 LYS A 11 13.264 -10.204 -12.200 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 11.862 -8.248 -12.093 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 10.924 -9.614 -12.465 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 10.891 -8.963 -10.897 1.00 32.05 H new ATOM 176 N ILE A 12 10.353 -15.332 -7.882 1.00 21.10 N ATOM 177 CA ILE A 12 10.385 -16.773 -7.668 1.00 64.54 C ATOM 178 C ILE A 12 9.266 -17.468 -8.437 1.00 34.03 C ATOM 179 O ILE A 12 9.506 -18.426 -9.171 1.00 74.53 O ATOM 180 CB ILE A 12 10.259 -17.122 -6.173 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.521 -16.698 -5.420 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.007 -18.613 -5.998 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.504 -17.070 -3.954 1.00 2.33 C ATOM 0 H ILE A 12 10.312 -14.779 -7.026 1.00 21.10 H new ATOM 0 HA ILE A 12 11.349 -17.126 -8.036 1.00 64.54 H new ATOM 0 HB ILE A 12 9.411 -16.578 -5.757 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.388 -17.158 -5.893 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.643 -15.619 -5.511 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.920 -18.845 -4.937 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.083 -18.888 -6.506 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.837 -19.175 -6.426 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.430 -16.739 -3.484 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.657 -16.588 -3.466 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.413 -18.152 -3.854 1.00 2.33 H new ATOM 195 N ALA A 13 8.043 -16.977 -8.265 1.00 52.24 N ATOM 196 CA ALA A 13 6.887 -17.548 -8.945 1.00 63.33 C ATOM 197 C ALA A 13 7.080 -17.537 -10.458 1.00 65.53 C ATOM 198 O ALA A 13 6.922 -18.562 -11.121 1.00 52.01 O ATOM 199 CB ALA A 13 5.624 -16.789 -8.567 1.00 65.33 C ATOM 0 H ALA A 13 7.827 -16.185 -7.660 1.00 52.24 H new ATOM 0 HA ALA A 13 6.784 -18.585 -8.625 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.769 -17.226 -9.082 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.470 -16.852 -7.490 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.727 -15.744 -8.858 1.00 65.33 H new ATOM 205 N LYS A 14 7.422 -16.372 -10.997 1.00 61.31 N ATOM 206 CA LYS A 14 7.638 -16.227 -12.432 1.00 24.13 C ATOM 207 C LYS A 14 8.675 -17.227 -12.930 1.00 74.23 C ATOM 208 O LYS A 14 8.605 -17.695 -14.067 1.00 64.00 O ATOM 209 CB LYS A 14 8.090 -14.802 -12.759 1.00 55.21 C ATOM 210 CG LYS A 14 8.207 -14.527 -14.248 1.00 43.13 C ATOM 211 CD LYS A 14 8.662 -13.103 -14.519 1.00 15.10 C ATOM 212 CE LYS A 14 8.003 -12.536 -15.767 1.00 0.23 C ATOM 213 NZ LYS A 14 8.208 -11.065 -15.882 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.556 -15.514 -10.462 1.00 61.31 H new ATOM 0 HA LYS A 14 6.694 -16.427 -12.938 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.383 -14.097 -12.322 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.055 -14.619 -12.287 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.914 -15.227 -14.693 1.00 43.13 H new ATOM 0 HG3 LYS A 14 7.243 -14.699 -14.727 1.00 43.13 H new ATOM 0 HD2 LYS A 14 8.422 -12.474 -13.662 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.745 -13.082 -14.637 1.00 15.10 H new ATOM 0 HE2 LYS A 14 8.410 -13.030 -16.649 1.00 0.23 H new ATOM 0 HE3 LYS A 14 6.935 -12.753 -15.745 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 7.744 -10.716 -16.745 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 7.797 -10.591 -15.052 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 9.226 -10.859 -15.929 1.00 52.31 H new ATOM 227 N ARG A 15 9.638 -17.551 -12.073 1.00 24.20 N ATOM 228 CA ARG A 15 10.689 -18.497 -12.427 1.00 2.23 C ATOM 229 C ARG A 15 10.135 -19.915 -12.530 1.00 74.55 C ATOM 230 O ARG A 15 10.580 -20.709 -13.360 1.00 13.42 O ATOM 231 CB ARG A 15 11.814 -18.453 -11.391 1.00 52.33 C ATOM 232 CG ARG A 15 13.206 -18.493 -12.001 1.00 60.13 C ATOM 233 CD ARG A 15 13.393 -19.719 -12.881 1.00 64.22 C ATOM 234 NE ARG A 15 14.757 -20.237 -12.816 1.00 31.41 N ATOM 235 CZ ARG A 15 15.292 -21.017 -13.747 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.583 -21.368 -14.811 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 16.540 -21.449 -13.617 1.00 54.20 N ATOM 0 H ARG A 15 9.712 -17.172 -11.129 1.00 24.20 H new ATOM 0 HA ARG A 15 11.087 -18.210 -13.400 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.713 -17.545 -10.796 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.701 -19.295 -10.709 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.372 -17.592 -12.591 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.953 -18.496 -11.207 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.695 -20.497 -12.572 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.151 -19.465 -13.913 1.00 64.22 H new ATOM 0 HE ARG A 15 15.330 -19.985 -12.011 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.623 -21.038 -14.916 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.997 -21.968 -15.525 1.00 71.10 H new ATOM 0 HH21 ARG A 15 17.090 -21.182 -12.800 1.00 54.20 H new ATOM 0 HH22 ARG A 15 16.949 -22.048 -14.334 1.00 54.20 H new ATOM 251 N LEU A 16 9.160 -20.227 -11.683 1.00 62.42 N ATOM 252 CA LEU A 16 8.543 -21.548 -11.677 1.00 42.54 C ATOM 253 C LEU A 16 7.865 -21.837 -13.012 1.00 3.14 C ATOM 254 O LEU A 16 7.831 -22.981 -13.467 1.00 45.05 O ATOM 255 CB LEU A 16 7.525 -21.653 -10.541 1.00 71.15 C ATOM 256 CG LEU A 16 8.077 -21.471 -9.127 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.956 -21.132 -8.156 1.00 44.00 C ATOM 258 CD2 LEU A 16 8.814 -22.724 -8.676 1.00 22.33 C ATOM 0 H LEU A 16 8.780 -19.582 -10.991 1.00 62.42 H new ATOM 0 HA LEU A 16 9.328 -22.288 -11.521 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.749 -20.906 -10.705 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.045 -22.630 -10.599 1.00 71.15 H new ATOM 0 HG LEU A 16 8.784 -20.642 -9.138 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.368 -21.006 -7.155 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.472 -20.207 -8.468 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.224 -21.940 -8.149 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.200 -22.576 -7.667 1.00 22.33 H new ATOM 0 HD22 LEU A 16 8.128 -23.571 -8.681 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.642 -22.923 -9.356 1.00 22.33 H new ATOM 270 N GLU A 17 7.327 -20.794 -13.636 1.00 24.21 N ATOM 271 CA GLU A 17 6.651 -20.937 -14.920 1.00 73.03 C ATOM 272 C GLU A 17 7.648 -21.269 -16.027 1.00 53.54 C ATOM 273 O GLU A 17 7.263 -21.672 -17.123 1.00 53.11 O ATOM 274 CB GLU A 17 5.894 -19.654 -15.269 1.00 62.44 C ATOM 275 CG GLU A 17 5.024 -19.134 -14.137 1.00 32.22 C ATOM 276 CD GLU A 17 4.407 -17.784 -14.447 1.00 55.30 C ATOM 277 OE1 GLU A 17 4.904 -17.104 -15.370 1.00 64.43 O ATOM 278 OE2 GLU A 17 3.430 -17.408 -13.768 1.00 71.21 O1- ATOM 0 H GLU A 17 7.346 -19.841 -13.273 1.00 24.21 H new ATOM 0 HA GLU A 17 5.940 -21.759 -14.837 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.612 -18.883 -15.548 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.268 -19.837 -16.142 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.231 -19.853 -13.934 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.623 -19.055 -13.230 1.00 32.22 H new ATOM 285 N SER A 18 8.932 -21.095 -15.729 1.00 60.23 N ATOM 286 CA SER A 18 9.986 -21.370 -16.699 1.00 50.12 C ATOM 287 C SER A 18 10.185 -22.873 -16.872 1.00 44.52 C ATOM 288 O SER A 18 10.189 -23.385 -17.992 1.00 12.43 O ATOM 289 CB SER A 18 11.297 -20.718 -16.259 1.00 53.43 C ATOM 290 OG SER A 18 12.067 -20.314 -17.379 1.00 62.03 O ATOM 0 H SER A 18 9.267 -20.765 -14.824 1.00 60.23 H new ATOM 0 HA SER A 18 9.683 -20.948 -17.657 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.084 -19.854 -15.630 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.871 -21.420 -15.653 1.00 53.43 H new ATOM 0 HG SER A 18 12.899 -19.898 -17.071 1.00 62.03 H new ATOM 296 N ILE A 19 10.349 -23.574 -15.756 1.00 61.30 N ATOM 297 CA ILE A 19 10.547 -25.018 -15.782 1.00 41.24 C ATOM 298 C ILE A 19 9.521 -25.697 -16.682 1.00 31.14 C ATOM 299 O ILE A 19 8.355 -25.842 -16.312 1.00 72.51 O ATOM 300 CB ILE A 19 10.458 -25.625 -14.370 1.00 11.12 C ATOM 301 CG1 ILE A 19 11.434 -24.921 -13.425 1.00 33.03 C ATOM 302 CG2 ILE A 19 10.741 -27.119 -14.416 1.00 52.32 C ATOM 303 CD1 ILE A 19 10.763 -24.281 -12.230 1.00 70.51 C ATOM 0 H ILE A 19 10.349 -23.165 -14.821 1.00 61.30 H new ATOM 0 HA ILE A 19 11.547 -25.192 -16.180 1.00 41.24 H new ATOM 0 HB ILE A 19 9.446 -25.478 -13.992 1.00 11.12 H new ATOM 0 HG12 ILE A 19 12.172 -25.643 -13.074 1.00 33.03 H new ATOM 0 HG13 ILE A 19 11.976 -24.156 -13.980 1.00 33.03 H new ATOM 0 HG21 ILE A 19 10.674 -27.533 -13.410 1.00 52.32 H new ATOM 0 HG22 ILE A 19 10.009 -27.608 -15.059 1.00 52.32 H new ATOM 0 HG23 ILE A 19 11.742 -27.288 -14.812 1.00 52.32 H new ATOM 0 HD11 ILE A 19 11.515 -23.801 -11.604 1.00 70.51 H new ATOM 0 HD12 ILE A 19 10.046 -23.535 -12.572 1.00 70.51 H new ATOM 0 HD13 ILE A 19 10.244 -25.045 -11.652 1.00 70.51 H new ATOM 315 N ASP A 20 9.962 -26.114 -17.863 1.00 31.11 N ATOM 316 CA ASP A 20 9.082 -26.782 -18.816 1.00 60.31 C ATOM 317 C ASP A 20 8.519 -28.070 -18.225 1.00 52.22 C ATOM 318 O ASP A 20 9.185 -28.778 -17.470 1.00 2.52 O ATOM 319 CB ASP A 20 9.836 -27.086 -20.112 1.00 72.22 C ATOM 320 CG ASP A 20 9.227 -26.389 -21.313 1.00 72.21 C ATOM 321 OD1 ASP A 20 8.964 -25.172 -21.221 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 9.015 -27.060 -22.344 1.00 1.44 O ATOM 0 H ASP A 20 10.924 -26.002 -18.184 1.00 31.11 H new ATOM 0 HA ASP A 20 8.251 -26.112 -19.037 1.00 60.31 H new ATOM 0 HB2 ASP A 20 10.876 -26.777 -20.005 1.00 72.22 H new ATOM 0 HB3 ASP A 20 9.839 -28.162 -20.283 1.00 72.22 H new ATOM 327 N PRO A 21 7.263 -28.383 -18.575 1.00 3.01 N ATOM 328 CA PRO A 21 6.582 -29.587 -18.090 1.00 51.32 C ATOM 329 C PRO A 21 7.169 -30.863 -18.683 1.00 31.01 C ATOM 330 O PRO A 21 6.939 -31.959 -18.172 1.00 73.52 O ATOM 331 CB PRO A 21 5.138 -29.393 -18.561 1.00 40.32 C ATOM 332 CG PRO A 21 5.244 -28.494 -19.745 1.00 41.15 C ATOM 333 CD PRO A 21 6.409 -27.584 -19.472 1.00 41.12 C ATOM 0 HA PRO A 21 6.680 -29.704 -17.011 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.677 -30.344 -18.826 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.523 -28.947 -17.779 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.403 -29.068 -20.658 1.00 41.15 H new ATOM 0 HG3 PRO A 21 4.327 -27.922 -19.884 1.00 41.15 H new ATOM 0 HD2 PRO A 21 6.932 -27.314 -20.390 1.00 41.12 H new ATOM 0 HD3 PRO A 21 6.091 -26.654 -19.001 1.00 41.12 H new ATOM 341 N ALA A 22 7.927 -30.714 -19.764 1.00 74.25 N ATOM 342 CA ALA A 22 8.550 -31.854 -20.425 1.00 71.25 C ATOM 343 C ALA A 22 9.821 -32.282 -19.699 1.00 24.44 C ATOM 344 O ALA A 22 10.486 -33.236 -20.103 1.00 64.13 O ATOM 345 CB ALA A 22 8.856 -31.521 -21.877 1.00 74.40 C ATOM 0 H ALA A 22 8.125 -29.814 -20.201 1.00 74.25 H new ATOM 0 HA ALA A 22 7.848 -32.687 -20.396 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.321 -32.382 -22.358 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.930 -31.272 -22.396 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.536 -30.670 -21.920 1.00 74.40 H new ATOM 351 N ASN A 23 10.153 -31.572 -18.627 1.00 31.42 N ATOM 352 CA ASN A 23 11.347 -31.879 -17.846 1.00 33.21 C ATOM 353 C ASN A 23 11.372 -31.069 -16.552 1.00 71.22 C ATOM 354 O ASN A 23 11.656 -29.872 -16.563 1.00 21.44 O ATOM 355 CB ASN A 23 12.606 -31.591 -18.666 1.00 24.34 C ATOM 356 CG ASN A 23 13.505 -32.806 -18.790 1.00 24.24 C ATOM 357 OD1 ASN A 23 13.981 -33.131 -19.877 1.00 64.52 O ATOM 358 ND2 ASN A 23 13.740 -33.484 -17.672 1.00 44.13 N ATOM 0 H ASN A 23 9.613 -30.780 -18.278 1.00 31.42 H new ATOM 0 HA ASN A 23 11.323 -32.938 -17.591 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.319 -31.252 -19.661 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.162 -30.777 -18.200 1.00 24.34 H new ATOM 0 HD21 ASN A 23 14.337 -34.311 -17.693 1.00 44.13 H new ATOM 0 HD22 ASN A 23 13.324 -33.178 -16.793 1.00 44.13 H new ATOM 365 N ARG A 24 11.076 -31.733 -15.440 1.00 31.34 N ATOM 366 CA ARG A 24 11.064 -31.076 -14.138 1.00 3.31 C ATOM 367 C ARG A 24 12.267 -31.505 -13.304 1.00 41.40 C ATOM 368 O ARG A 24 13.034 -32.379 -13.706 1.00 60.52 O ATOM 369 CB ARG A 24 9.769 -31.400 -13.391 1.00 43.24 C ATOM 370 CG ARG A 24 8.512 -31.068 -14.178 1.00 73.04 C ATOM 371 CD ARG A 24 8.153 -29.595 -14.057 1.00 15.52 C ATOM 372 NE ARG A 24 8.082 -29.162 -12.663 1.00 53.32 N ATOM 373 CZ ARG A 24 7.001 -29.301 -11.905 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.905 -29.859 -12.402 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 7.014 -28.882 -10.646 1.00 32.13 N ATOM 0 H ARG A 24 10.841 -32.725 -15.414 1.00 31.34 H new ATOM 0 HA ARG A 24 11.121 -30.000 -14.300 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.760 -32.461 -13.139 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.755 -30.849 -12.451 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.660 -31.323 -15.227 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.683 -31.677 -13.816 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.895 -28.996 -14.585 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.194 -29.415 -14.542 1.00 15.52 H new ATOM 0 HE ARG A 24 8.908 -28.729 -12.250 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.891 -30.183 -13.369 1.00 42.41 H new ATOM 0 HH12 ARG A 24 5.076 -29.964 -11.817 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.855 -28.453 -10.260 1.00 32.13 H new ATOM 0 HH22 ARG A 24 6.183 -28.989 -10.064 1.00 32.13 H new ATOM 389 N GLN A 25 12.426 -30.882 -12.140 1.00 23.44 N ATOM 390 CA GLN A 25 13.535 -31.198 -11.249 1.00 3.41 C ATOM 391 C GLN A 25 13.039 -31.895 -9.987 1.00 43.32 C ATOM 392 O GLN A 25 13.067 -33.122 -9.891 1.00 3.03 O ATOM 393 CB GLN A 25 14.297 -29.925 -10.877 1.00 73.40 C ATOM 394 CG GLN A 25 15.344 -29.520 -11.902 1.00 65.05 C ATOM 395 CD GLN A 25 15.494 -28.017 -12.021 1.00 54.13 C ATOM 396 OE1 GLN A 25 14.790 -27.256 -11.357 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.417 -27.579 -12.870 1.00 12.31 N ATOM 0 H GLN A 25 11.800 -30.155 -11.793 1.00 23.44 H new ATOM 0 HA GLN A 25 14.208 -31.875 -11.775 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.585 -29.108 -10.755 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.783 -30.071 -9.912 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.304 -29.956 -11.627 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.074 -29.932 -12.874 1.00 65.05 H new ATOM 0 HE21 GLN A 25 16.979 -28.245 -13.401 1.00 12.31 H new ATOM 0 HE22 GLN A 25 16.564 -26.577 -12.991 1.00 12.31 H new ATOM 406 N VAL A 26 12.586 -31.104 -9.019 1.00 53.35 N ATOM 407 CA VAL A 26 12.083 -31.646 -7.763 1.00 53.24 C ATOM 408 C VAL A 26 10.800 -30.941 -7.335 1.00 23.30 C ATOM 409 O VAL A 26 10.833 -29.803 -6.866 1.00 23.40 O ATOM 410 CB VAL A 26 13.126 -31.516 -6.638 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.547 -31.993 -5.314 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.386 -32.293 -6.989 1.00 61.33 C ATOM 0 H VAL A 26 12.557 -30.086 -9.081 1.00 53.35 H new ATOM 0 HA VAL A 26 11.874 -32.702 -7.935 1.00 53.24 H new ATOM 0 HB VAL A 26 13.392 -30.464 -6.532 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.299 -31.893 -4.531 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.676 -31.389 -5.059 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.251 -33.038 -5.402 1.00 24.22 H new ATOM 0 HG21 VAL A 26 15.113 -32.191 -6.183 1.00 61.33 H new ATOM 0 HG22 VAL A 26 14.139 -33.346 -7.123 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.810 -31.900 -7.913 1.00 61.33 H new ATOM 422 N GLU A 27 9.671 -31.624 -7.500 1.00 51.22 N ATOM 423 CA GLU A 27 8.378 -31.062 -7.131 1.00 53.14 C ATOM 424 C GLU A 27 8.068 -31.330 -5.661 1.00 20.43 C ATOM 425 O GLU A 27 8.108 -32.473 -5.204 1.00 21.25 O ATOM 426 CB GLU A 27 7.272 -31.648 -8.012 1.00 64.43 C ATOM 427 CG GLU A 27 7.647 -31.734 -9.482 1.00 1.54 C ATOM 428 CD GLU A 27 7.871 -33.161 -9.943 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.886 -33.929 -9.996 1.00 13.03 O ATOM 430 OE2 GLU A 27 9.029 -33.511 -10.253 1.00 0.53 O1- ATOM 0 H GLU A 27 9.626 -32.567 -7.887 1.00 51.22 H new ATOM 0 HA GLU A 27 8.422 -29.984 -7.285 1.00 53.14 H new ATOM 0 HB2 GLU A 27 7.021 -32.645 -7.651 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.375 -31.037 -7.909 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.857 -31.282 -10.082 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.552 -31.153 -9.657 1.00 1.54 H new ATOM 437 N HIS A 28 7.758 -30.268 -4.925 1.00 1.34 N ATOM 438 CA HIS A 28 7.441 -30.387 -3.506 1.00 23.23 C ATOM 439 C HIS A 28 6.877 -29.078 -2.963 1.00 12.45 C ATOM 440 O HIS A 28 6.892 -28.053 -3.645 1.00 2.54 O ATOM 441 CB HIS A 28 8.687 -30.785 -2.715 1.00 64.15 C ATOM 442 CG HIS A 28 8.718 -32.233 -2.335 1.00 70.02 C ATOM 443 ND1 HIS A 28 9.578 -33.144 -2.911 1.00 64.13 N ATOM 444 CD2 HIS A 28 7.990 -32.927 -1.429 1.00 51.55 C ATOM 445 CE1 HIS A 28 9.376 -34.336 -2.379 1.00 15.35 C ATOM 446 NE2 HIS A 28 8.417 -34.232 -1.475 1.00 63.45 N ATOM 0 H HIS A 28 7.719 -29.315 -5.287 1.00 1.34 H new ATOM 0 HA HIS A 28 6.684 -31.163 -3.393 1.00 23.23 H new ATOM 0 HB2 HIS A 28 9.572 -30.554 -3.307 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.742 -30.179 -1.810 1.00 64.15 H new ATOM 0 HD2 HIS A 28 7.217 -32.529 -0.789 1.00 51.55 H new ATOM 0 HE1 HIS A 28 9.904 -35.242 -2.638 1.00 15.35 H new ATOM 0 HE2 HIS A 28 8.054 -34.996 -0.905 1.00 63.45 H new ATOM 454 N VAL A 29 6.377 -29.119 -1.732 1.00 54.23 N ATOM 455 CA VAL A 29 5.808 -27.936 -1.097 1.00 31.14 C ATOM 456 C VAL A 29 6.816 -27.274 -0.164 1.00 41.44 C ATOM 457 O VAL A 29 7.425 -27.935 0.677 1.00 25.11 O ATOM 458 CB VAL A 29 4.538 -28.283 -0.300 1.00 21.50 C ATOM 459 CG1 VAL A 29 4.125 -27.116 0.584 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.408 -28.675 -1.241 1.00 5.11 C ATOM 0 H VAL A 29 6.354 -29.959 -1.154 1.00 54.23 H new ATOM 0 HA VAL A 29 5.548 -27.242 -1.896 1.00 31.14 H new ATOM 0 HB VAL A 29 4.757 -29.135 0.343 1.00 21.50 H new ATOM 0 HG11 VAL A 29 3.225 -27.381 1.139 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.929 -26.887 1.284 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.924 -26.243 -0.037 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.518 -28.917 -0.660 1.00 5.11 H new ATOM 0 HG22 VAL A 29 3.189 -27.844 -1.912 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.707 -29.545 -1.826 1.00 5.11 H new ATOM 470 N TYR A 30 6.986 -25.966 -0.318 1.00 54.15 N ATOM 471 CA TYR A 30 7.921 -25.214 0.511 1.00 42.42 C ATOM 472 C TYR A 30 7.190 -24.167 1.344 1.00 53.31 C ATOM 473 O TYR A 30 6.057 -23.793 1.040 1.00 71.04 O ATOM 474 CB TYR A 30 8.979 -24.538 -0.364 1.00 40.44 C ATOM 475 CG TYR A 30 9.877 -25.514 -1.091 1.00 1.42 C ATOM 476 CD1 TYR A 30 10.352 -26.656 -0.459 1.00 63.54 C ATOM 477 CD2 TYR A 30 10.248 -25.294 -2.412 1.00 23.33 C ATOM 478 CE1 TYR A 30 11.173 -27.549 -1.120 1.00 50.54 C ATOM 479 CE2 TYR A 30 11.067 -26.182 -3.082 1.00 42.43 C ATOM 480 CZ TYR A 30 11.527 -27.308 -2.431 1.00 32.12 C ATOM 481 OH TYR A 30 12.343 -28.196 -3.093 1.00 33.15 O ATOM 0 H TYR A 30 6.489 -25.404 -1.009 1.00 54.15 H new ATOM 0 HA TYR A 30 8.411 -25.913 1.189 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.481 -23.901 -1.095 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.593 -23.888 0.259 1.00 40.44 H new ATOM 0 HD1 TYR A 30 10.075 -26.849 0.567 1.00 63.54 H new ATOM 0 HD2 TYR A 30 9.890 -24.413 -2.924 1.00 23.33 H new ATOM 0 HE1 TYR A 30 11.536 -28.431 -0.613 1.00 50.54 H new ATOM 0 HE2 TYR A 30 11.345 -25.996 -4.109 1.00 42.43 H new ATOM 0 HH TYR A 30 12.496 -27.880 -4.008 1.00 33.15 H new ATOM 491 N LYS A 31 7.847 -23.696 2.399 1.00 21.53 N ATOM 492 CA LYS A 31 7.263 -22.690 3.278 1.00 33.30 C ATOM 493 C LYS A 31 8.190 -21.487 3.419 1.00 72.40 C ATOM 494 O LYS A 31 9.405 -21.638 3.544 1.00 42.23 O ATOM 495 CB LYS A 31 6.977 -23.292 4.656 1.00 30.01 C ATOM 496 CG LYS A 31 6.327 -22.316 5.622 1.00 12.24 C ATOM 497 CD LYS A 31 4.861 -22.646 5.846 1.00 72.33 C ATOM 498 CE LYS A 31 4.036 -22.395 4.591 1.00 1.42 C ATOM 499 NZ LYS A 31 3.685 -23.664 3.896 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.785 -23.995 2.666 1.00 21.53 H new ATOM 0 HA LYS A 31 6.326 -22.354 2.833 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.328 -24.159 4.537 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.911 -23.650 5.088 1.00 30.01 H new ATOM 0 HG2 LYS A 31 6.856 -22.339 6.575 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.417 -21.302 5.232 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.763 -23.690 6.145 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.472 -22.042 6.666 1.00 72.33 H new ATOM 0 HE2 LYS A 31 3.123 -21.862 4.857 1.00 1.42 H new ATOM 0 HE3 LYS A 31 4.595 -21.751 3.912 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 2.893 -23.495 3.244 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.508 -24.005 3.360 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 3.409 -24.380 4.598 1.00 74.42 H new ATOM 513 N PHE A 32 7.608 -20.293 3.401 1.00 21.34 N ATOM 514 CA PHE A 32 8.382 -19.063 3.527 1.00 31.43 C ATOM 515 C PHE A 32 7.770 -18.141 4.579 1.00 73.13 C ATOM 516 O PHE A 32 6.602 -17.767 4.487 1.00 30.25 O ATOM 517 CB PHE A 32 8.456 -18.340 2.180 1.00 2.44 C ATOM 518 CG PHE A 32 9.827 -18.351 1.569 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.947 -18.087 2.341 1.00 34.32 C ATOM 520 CD2 PHE A 32 9.998 -18.626 0.222 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.210 -18.095 1.782 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.258 -18.636 -0.344 1.00 15.23 C ATOM 523 CZ PHE A 32 12.366 -18.371 0.437 1.00 34.24 C ATOM 0 H PHE A 32 6.603 -20.150 3.300 1.00 21.34 H new ATOM 0 HA PHE A 32 9.390 -19.329 3.844 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.755 -18.806 1.488 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.134 -17.307 2.313 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.831 -17.872 3.393 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.135 -18.835 -0.393 1.00 25.20 H new ATOM 0 HE1 PHE A 32 13.074 -17.886 2.395 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.377 -18.851 -1.396 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.352 -18.379 -0.003 1.00 34.24 H new ATOM 533 N ARG A 33 8.570 -17.779 5.577 1.00 2.52 N ATOM 534 CA ARG A 33 8.108 -16.904 6.647 1.00 14.43 C ATOM 535 C ARG A 33 8.902 -15.601 6.664 1.00 75.14 C ATOM 536 O ARG A 33 10.130 -15.610 6.564 1.00 61.42 O ATOM 537 CB ARG A 33 8.231 -17.607 8.000 1.00 2.14 C ATOM 538 CG ARG A 33 6.898 -18.044 8.583 1.00 20.25 C ATOM 539 CD ARG A 33 6.951 -18.121 10.100 1.00 10.22 C ATOM 540 NE ARG A 33 7.078 -19.497 10.575 1.00 11.44 N ATOM 541 CZ ARG A 33 7.428 -19.817 11.815 1.00 10.32 C ATOM 542 NH1 ARG A 33 7.686 -18.866 12.701 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 7.521 -21.093 12.171 1.00 25.32 N ATOM 0 H ARG A 33 9.541 -18.078 5.666 1.00 2.52 H new ATOM 0 HA ARG A 33 7.060 -16.669 6.463 1.00 14.43 H new ATOM 0 HB2 ARG A 33 8.873 -18.481 7.889 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.724 -16.937 8.704 1.00 2.14 H new ATOM 0 HG2 ARG A 33 6.120 -17.343 8.280 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.624 -19.018 8.178 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.794 -17.533 10.463 1.00 10.22 H new ATOM 0 HD3 ARG A 33 6.048 -17.676 10.517 1.00 10.22 H new ATOM 0 HE ARG A 33 6.887 -20.253 9.918 1.00 11.44 H new ATOM 0 HH11 ARG A 33 7.616 -17.885 12.431 1.00 23.32 H new ATOM 0 HH12 ARG A 33 7.955 -19.115 13.653 1.00 23.32 H new ATOM 0 HH21 ARG A 33 7.324 -21.828 11.492 1.00 25.32 H new ATOM 0 HH22 ARG A 33 7.790 -21.338 13.124 1.00 25.32 H new ATOM 557 N ILE A 34 8.195 -14.484 6.792 1.00 62.22 N ATOM 558 CA ILE A 34 8.834 -13.175 6.823 1.00 24.14 C ATOM 559 C ILE A 34 8.687 -12.523 8.193 1.00 22.22 C ATOM 560 O ILE A 34 7.583 -12.413 8.726 1.00 15.22 O ATOM 561 CB ILE A 34 8.245 -12.235 5.754 1.00 45.40 C ATOM 562 CG1 ILE A 34 8.259 -12.913 4.382 1.00 40.21 C ATOM 563 CG2 ILE A 34 9.022 -10.927 5.713 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.586 -13.556 4.041 1.00 0.34 C ATOM 0 H ILE A 34 7.179 -14.459 6.876 1.00 62.22 H new ATOM 0 HA ILE A 34 9.891 -13.336 6.611 1.00 24.14 H new ATOM 0 HB ILE A 34 7.211 -12.013 6.017 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.478 -13.673 4.353 1.00 40.21 H new ATOM 0 HG13 ILE A 34 8.015 -12.175 3.618 1.00 40.21 H new ATOM 0 HG21 ILE A 34 8.594 -10.273 4.953 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.964 -10.439 6.686 1.00 73.20 H new ATOM 0 HG23 ILE A 34 10.065 -11.131 5.471 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.524 -14.017 3.055 1.00 0.34 H new ATOM 0 HD12 ILE A 34 10.368 -12.797 4.038 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.823 -14.318 4.784 1.00 0.34 H new ATOM 576 N THR A 35 9.809 -12.090 8.761 1.00 73.35 N ATOM 577 CA THR A 35 9.805 -11.448 10.069 1.00 10.14 C ATOM 578 C THR A 35 10.030 -9.945 9.945 1.00 21.43 C ATOM 579 O THR A 35 10.484 -9.461 8.909 1.00 61.13 O ATOM 580 CB THR A 35 10.888 -12.043 10.990 1.00 42.42 C ATOM 581 OG1 THR A 35 11.148 -13.403 10.623 1.00 61.24 O ATOM 582 CG2 THR A 35 10.455 -11.978 12.446 1.00 21.42 C ATOM 0 H THR A 35 10.732 -12.173 8.335 1.00 73.35 H new ATOM 0 HA THR A 35 8.824 -11.631 10.508 1.00 10.14 H new ATOM 0 HB THR A 35 11.798 -11.455 10.873 1.00 42.42 H new ATOM 0 HG1 THR A 35 11.838 -13.774 11.211 1.00 61.24 H new ATOM 0 HG21 THR A 35 11.235 -12.404 13.077 1.00 21.42 H new ATOM 0 HG22 THR A 35 10.286 -10.939 12.729 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.533 -12.545 12.577 1.00 21.42 H new ATOM 590 N GLN A 36 9.708 -9.214 11.008 1.00 63.41 N ATOM 591 CA GLN A 36 9.877 -7.766 11.016 1.00 14.20 C ATOM 592 C GLN A 36 10.324 -7.278 12.390 1.00 45.14 C ATOM 593 O GLN A 36 9.507 -7.098 13.292 1.00 5.11 O ATOM 594 CB GLN A 36 8.568 -7.077 10.619 1.00 55.11 C ATOM 595 CG GLN A 36 8.430 -5.669 11.171 1.00 62.44 C ATOM 596 CD GLN A 36 7.655 -4.752 10.245 1.00 40.34 C ATOM 597 OE1 GLN A 36 6.424 -4.743 10.250 1.00 43.51 O ATOM 598 NE2 GLN A 36 8.373 -3.975 9.442 1.00 20.34 N ATOM 0 H GLN A 36 9.329 -9.600 11.873 1.00 63.41 H new ATOM 0 HA GLN A 36 10.650 -7.511 10.290 1.00 14.20 H new ATOM 0 HB2 GLN A 36 8.502 -7.040 9.532 1.00 55.11 H new ATOM 0 HB3 GLN A 36 7.730 -7.679 10.969 1.00 55.11 H new ATOM 0 HG2 GLN A 36 7.929 -5.710 12.138 1.00 62.44 H new ATOM 0 HG3 GLN A 36 9.422 -5.251 11.343 1.00 62.44 H new ATOM 0 HE21 GLN A 36 9.392 -4.015 9.471 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.906 -3.338 8.796 1.00 20.34 H new ATOM 607 N GLY A 37 11.627 -7.064 12.541 1.00 64.45 N ATOM 608 CA GLY A 37 12.161 -6.600 13.808 1.00 34.24 C ATOM 609 C GLY A 37 12.255 -7.707 14.839 1.00 24.32 C ATOM 610 O GLY A 37 11.918 -7.509 16.006 1.00 10.20 O ATOM 0 H GLY A 37 12.323 -7.204 11.808 1.00 64.45 H new ATOM 0 HA2 GLY A 37 13.151 -6.173 13.647 1.00 34.24 H new ATOM 0 HA3 GLY A 37 11.528 -5.801 14.194 1.00 34.24 H new ATOM 614 N GLY A 38 12.713 -8.878 14.407 1.00 74.12 N ATOM 615 CA GLY A 38 12.840 -10.005 15.313 1.00 13.31 C ATOM 616 C GLY A 38 11.496 -10.582 15.713 1.00 0.22 C ATOM 617 O GLY A 38 11.416 -11.437 16.595 1.00 3.34 O ATOM 0 H GLY A 38 12.998 -9.066 13.446 1.00 74.12 H new ATOM 0 HA2 GLY A 38 13.439 -10.782 14.839 1.00 13.31 H new ATOM 0 HA3 GLY A 38 13.377 -9.689 16.207 1.00 13.31 H new ATOM 621 N LYS A 39 10.435 -10.111 15.065 1.00 34.44 N ATOM 622 CA LYS A 39 9.088 -10.584 15.357 1.00 44.41 C ATOM 623 C LYS A 39 8.318 -10.863 14.070 1.00 41.22 C ATOM 624 O LYS A 39 8.295 -10.037 13.157 1.00 21.13 O ATOM 625 CB LYS A 39 8.335 -9.554 16.202 1.00 12.35 C ATOM 626 CG LYS A 39 7.947 -10.063 17.579 1.00 61.01 C ATOM 627 CD LYS A 39 8.109 -8.985 18.638 1.00 62.52 C ATOM 628 CE LYS A 39 7.898 -9.544 20.037 1.00 2.21 C ATOM 629 NZ LYS A 39 6.782 -8.857 20.746 1.00 31.32 N1+ ATOM 0 H LYS A 39 10.483 -9.402 14.334 1.00 34.44 H new ATOM 0 HA LYS A 39 9.171 -11.514 15.919 1.00 44.41 H new ATOM 0 HB2 LYS A 39 8.956 -8.665 16.314 1.00 12.35 H new ATOM 0 HB3 LYS A 39 7.434 -9.249 15.670 1.00 12.35 H new ATOM 0 HG2 LYS A 39 6.913 -10.406 17.563 1.00 61.01 H new ATOM 0 HG3 LYS A 39 8.564 -10.924 17.837 1.00 61.01 H new ATOM 0 HD2 LYS A 39 9.105 -8.549 18.566 1.00 62.52 H new ATOM 0 HD3 LYS A 39 7.395 -8.182 18.454 1.00 62.52 H new ATOM 0 HE2 LYS A 39 7.686 -10.611 19.974 1.00 2.21 H new ATOM 0 HE3 LYS A 39 8.816 -9.435 20.614 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 6.670 -9.266 21.696 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 6.996 -7.843 20.829 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 5.900 -8.982 20.209 1.00 31.32 H new ATOM 643 N VAL A 40 7.687 -12.031 14.004 1.00 13.33 N ATOM 644 CA VAL A 40 6.914 -12.417 12.830 1.00 41.44 C ATOM 645 C VAL A 40 6.040 -11.265 12.346 1.00 63.31 C ATOM 646 O VAL A 40 5.536 -10.475 13.144 1.00 63.13 O ATOM 647 CB VAL A 40 6.021 -13.637 13.122 1.00 45.24 C ATOM 648 CG1 VAL A 40 4.917 -13.269 14.103 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.435 -14.189 11.832 1.00 51.40 C ATOM 0 H VAL A 40 7.696 -12.726 14.750 1.00 13.33 H new ATOM 0 HA VAL A 40 7.630 -12.679 12.051 1.00 41.44 H new ATOM 0 HB VAL A 40 6.635 -14.414 13.577 1.00 45.24 H new ATOM 0 HG11 VAL A 40 4.296 -14.144 14.297 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.360 -12.924 15.037 1.00 55.31 H new ATOM 0 HG13 VAL A 40 4.303 -12.475 13.678 1.00 55.31 H new ATOM 0 HG21 VAL A 40 4.807 -15.051 12.057 1.00 51.40 H new ATOM 0 HG22 VAL A 40 4.835 -13.419 11.346 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.243 -14.493 11.166 1.00 51.40 H new ATOM 659 N VAL A 41 5.863 -11.176 11.031 1.00 34.35 N ATOM 660 CA VAL A 41 5.048 -10.122 10.438 1.00 44.34 C ATOM 661 C VAL A 41 3.988 -10.703 9.510 1.00 12.15 C ATOM 662 O VAL A 41 2.914 -10.127 9.338 1.00 4.11 O ATOM 663 CB VAL A 41 5.913 -9.121 9.649 1.00 3.41 C ATOM 664 CG1 VAL A 41 6.127 -9.608 8.224 1.00 40.14 C ATOM 665 CG2 VAL A 41 5.273 -7.741 9.659 1.00 22.42 C ATOM 0 H VAL A 41 6.273 -11.821 10.356 1.00 34.35 H new ATOM 0 HA VAL A 41 4.559 -9.599 11.260 1.00 44.34 H new ATOM 0 HB VAL A 41 6.887 -9.048 10.133 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.740 -8.888 7.682 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.631 -10.574 8.242 1.00 40.14 H new ATOM 0 HG13 VAL A 41 5.163 -9.711 7.726 1.00 40.14 H new ATOM 0 HG21 VAL A 41 5.897 -7.046 9.097 1.00 22.42 H new ATOM 0 HG22 VAL A 41 4.286 -7.794 9.200 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.177 -7.392 10.687 1.00 22.42 H new ATOM 675 N LYS A 42 4.297 -11.850 8.913 1.00 42.43 N ATOM 676 CA LYS A 42 3.370 -12.513 8.003 1.00 33.55 C ATOM 677 C LYS A 42 3.928 -13.855 7.541 1.00 43.41 C ATOM 678 O LYS A 42 5.113 -14.137 7.711 1.00 1.03 O ATOM 679 CB LYS A 42 3.089 -11.621 6.791 1.00 52.12 C ATOM 680 CG LYS A 42 1.609 -11.372 6.550 1.00 64.32 C ATOM 681 CD LYS A 42 1.307 -9.889 6.423 1.00 52.31 C ATOM 682 CE LYS A 42 0.635 -9.348 7.675 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.632 -8.632 7.360 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.182 -12.339 9.043 1.00 42.43 H new ATOM 0 HA LYS A 42 2.438 -12.692 8.539 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.592 -10.664 6.930 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.521 -12.082 5.903 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.296 -11.887 5.642 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.030 -11.793 7.372 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.232 -9.343 6.240 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.662 -9.721 5.561 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.427 -10.170 8.359 1.00 23.22 H new ATOM 0 HE3 LYS A 42 1.317 -8.670 8.189 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.059 -8.279 8.240 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.430 -7.832 6.727 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.293 -9.285 6.892 1.00 13.02 H new ATOM 697 N ASN A 43 3.065 -14.678 6.954 1.00 34.54 N ATOM 698 CA ASN A 43 3.473 -15.991 6.466 1.00 55.25 C ATOM 699 C ASN A 43 3.387 -16.057 4.944 1.00 40.53 C ATOM 700 O ASN A 43 2.592 -15.348 4.326 1.00 31.40 O ATOM 701 CB ASN A 43 2.598 -17.083 7.085 1.00 53.41 C ATOM 702 CG ASN A 43 1.914 -16.623 8.358 1.00 44.33 C ATOM 703 OD1 ASN A 43 2.570 -16.341 9.361 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.589 -16.544 8.323 1.00 72.11 N ATOM 0 H ASN A 43 2.080 -14.460 6.805 1.00 34.54 H new ATOM 0 HA ASN A 43 4.510 -16.154 6.761 1.00 55.25 H new ATOM 0 HB2 ASN A 43 1.844 -17.394 6.362 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.212 -17.958 7.301 1.00 53.41 H new ATOM 0 HD21 ASN A 43 0.074 -16.240 9.149 1.00 72.11 H new ATOM 0 HD22 ASN A 43 0.086 -16.788 7.470 1.00 72.11 H new ATOM 711 N TRP A 44 4.209 -16.913 4.347 1.00 22.12 N ATOM 712 CA TRP A 44 4.225 -17.071 2.898 1.00 23.21 C ATOM 713 C TRP A 44 4.265 -18.546 2.512 1.00 15.33 C ATOM 714 O TRP A 44 4.884 -19.360 3.197 1.00 44.21 O ATOM 715 CB TRP A 44 5.428 -16.343 2.298 1.00 45.14 C ATOM 716 CG TRP A 44 5.052 -15.123 1.511 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.857 -15.048 0.161 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.830 -13.806 2.025 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.526 -13.763 -0.194 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.502 -12.982 0.931 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.874 -13.244 3.303 1.00 55.22 C ATOM 722 CZ2 TRP A 44 4.221 -11.626 1.079 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.595 -11.898 3.448 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.271 -11.102 2.342 1.00 1.02 C ATOM 0 H TRP A 44 4.872 -17.508 4.844 1.00 22.12 H new ATOM 0 HA TRP A 44 3.309 -16.634 2.500 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.106 -16.054 3.101 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.974 -17.030 1.651 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.949 -15.876 -0.526 1.00 73.33 H new ATOM 0 HE1 TRP A 44 4.330 -13.442 -1.142 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.121 -13.850 4.162 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.973 -11.010 0.227 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.627 -11.452 4.431 1.00 62.30 H new ATOM 0 HH2 TRP A 44 4.056 -10.054 2.489 1.00 1.02 H new ATOM 735 N VAL A 45 3.599 -18.884 1.412 1.00 5.25 N ATOM 736 CA VAL A 45 3.560 -20.261 0.935 1.00 60.54 C ATOM 737 C VAL A 45 4.034 -20.356 -0.511 1.00 5.42 C ATOM 738 O VAL A 45 3.737 -19.487 -1.331 1.00 33.13 O ATOM 739 CB VAL A 45 2.141 -20.850 1.038 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.027 -22.118 0.206 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.783 -21.123 2.491 1.00 33.43 C ATOM 0 H VAL A 45 3.079 -18.223 0.835 1.00 5.25 H new ATOM 0 HA VAL A 45 4.232 -20.836 1.573 1.00 60.54 H new ATOM 0 HB VAL A 45 1.434 -20.120 0.643 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.017 -22.520 0.291 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.239 -21.888 -0.838 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.743 -22.856 0.568 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.777 -21.539 2.546 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.493 -21.834 2.913 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.822 -20.192 3.056 1.00 33.43 H new ATOM 751 N MET A 46 4.773 -21.417 -0.818 1.00 62.23 N ATOM 752 CA MET A 46 5.286 -21.626 -2.167 1.00 35.14 C ATOM 753 C MET A 46 4.434 -22.642 -2.922 1.00 72.04 C ATOM 754 O MET A 46 4.614 -23.850 -2.772 1.00 51.41 O ATOM 755 CB MET A 46 6.739 -22.100 -2.114 1.00 33.01 C ATOM 756 CG MET A 46 7.595 -21.566 -3.252 1.00 43.13 C ATOM 757 SD MET A 46 8.560 -20.120 -2.774 1.00 65.24 S ATOM 758 CE MET A 46 10.134 -20.878 -2.381 1.00 25.52 C ATOM 0 H MET A 46 5.030 -22.145 -0.151 1.00 62.23 H new ATOM 0 HA MET A 46 5.240 -20.675 -2.698 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.178 -21.793 -1.165 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.758 -23.190 -2.136 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.269 -22.351 -3.594 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.953 -21.308 -4.094 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.943 -20.207 -2.669 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.187 -21.072 -1.310 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.231 -21.817 -2.925 1.00 25.52 H new ATOM 768 N ASP A 47 3.507 -22.143 -3.732 1.00 71.12 N ATOM 769 CA ASP A 47 2.628 -23.007 -4.511 1.00 32.40 C ATOM 770 C ASP A 47 3.366 -23.596 -5.709 1.00 53.15 C ATOM 771 O ASP A 47 3.239 -23.105 -6.832 1.00 2.25 O ATOM 772 CB ASP A 47 1.400 -22.228 -4.984 1.00 13.44 C ATOM 773 CG ASP A 47 0.188 -23.118 -5.176 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.372 -24.338 -5.367 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.945 -22.594 -5.133 1.00 72.40 O ATOM 0 H ASP A 47 3.345 -21.145 -3.866 1.00 71.12 H new ATOM 0 HA ASP A 47 2.303 -23.826 -3.870 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.165 -21.450 -4.257 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.631 -21.727 -5.924 1.00 13.44 H new ATOM 780 N LEU A 48 4.138 -24.648 -5.464 1.00 3.45 N ATOM 781 CA LEU A 48 4.898 -25.304 -6.522 1.00 34.13 C ATOM 782 C LEU A 48 3.978 -26.104 -7.438 1.00 74.54 C ATOM 783 O LEU A 48 4.386 -26.550 -8.511 1.00 65.54 O ATOM 784 CB LEU A 48 5.962 -26.222 -5.919 1.00 41.41 C ATOM 785 CG LEU A 48 7.306 -25.569 -5.591 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.378 -25.210 -4.115 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.455 -26.489 -5.975 1.00 24.33 C ATOM 0 H LEU A 48 4.255 -25.066 -4.541 1.00 3.45 H new ATOM 0 HA LEU A 48 5.388 -24.532 -7.115 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.560 -26.659 -5.005 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.140 -27.043 -6.613 1.00 41.41 H new ATOM 0 HG LEU A 48 7.394 -24.651 -6.172 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.341 -24.747 -3.900 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.577 -24.512 -3.871 1.00 72.14 H new ATOM 0 HD13 LEU A 48 7.268 -26.113 -3.515 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.403 -26.007 -5.734 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.372 -27.425 -5.422 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.414 -26.695 -7.045 1.00 24.33 H new ATOM 799 N LYS A 49 2.733 -26.282 -7.008 1.00 53.41 N ATOM 800 CA LYS A 49 1.753 -27.026 -7.790 1.00 44.45 C ATOM 801 C LYS A 49 1.112 -26.135 -8.848 1.00 13.33 C ATOM 802 O LYS A 49 1.096 -26.474 -10.031 1.00 1.23 O ATOM 803 CB LYS A 49 0.672 -27.604 -6.873 1.00 43.22 C ATOM 804 CG LYS A 49 0.955 -29.027 -6.422 1.00 30.32 C ATOM 805 CD LYS A 49 -0.234 -29.626 -5.689 1.00 53.45 C ATOM 806 CE LYS A 49 0.210 -30.615 -4.622 1.00 64.21 C ATOM 807 NZ LYS A 49 -0.364 -30.285 -3.288 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.379 -25.921 -6.122 1.00 53.41 H new ATOM 0 HA LYS A 49 2.271 -27.843 -8.293 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.573 -26.966 -5.995 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.285 -27.580 -7.394 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.198 -29.643 -7.288 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.828 -29.036 -5.770 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -0.818 -28.829 -5.228 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -0.888 -30.128 -6.403 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -0.095 -31.621 -4.910 1.00 64.21 H new ATOM 0 HE3 LYS A 49 1.298 -30.617 -4.559 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -0.038 -30.982 -2.588 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.053 -29.335 -3.002 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.402 -30.308 -3.342 1.00 62.40 H new ATOM 821 N ASN A 50 0.585 -24.994 -8.416 1.00 2.35 N ATOM 822 CA ASN A 50 -0.055 -24.053 -9.329 1.00 41.40 C ATOM 823 C ASN A 50 0.972 -23.114 -9.951 1.00 40.41 C ATOM 824 O ASN A 50 0.653 -22.334 -10.849 1.00 2.41 O ATOM 825 CB ASN A 50 -1.123 -23.243 -8.591 1.00 14.33 C ATOM 826 CG ASN A 50 -2.346 -24.072 -8.250 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.297 -25.302 -8.259 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.451 -23.401 -7.949 1.00 4.23 N ATOM 0 H ASN A 50 0.588 -24.698 -7.440 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.528 -24.624 -10.128 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.697 -22.836 -7.674 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -1.423 -22.395 -9.207 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.305 -23.905 -7.713 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.446 -22.381 -7.954 1.00 4.23 H new ATOM 835 N VAL A 51 2.208 -23.193 -9.469 1.00 64.11 N ATOM 836 CA VAL A 51 3.284 -22.352 -9.979 1.00 54.52 C ATOM 837 C VAL A 51 3.083 -20.896 -9.573 1.00 42.10 C ATOM 838 O VAL A 51 3.169 -19.991 -10.403 1.00 10.33 O ATOM 839 CB VAL A 51 3.383 -22.437 -11.514 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.703 -21.855 -11.997 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.223 -23.876 -11.979 1.00 50.43 C ATOM 0 H VAL A 51 2.489 -23.832 -8.725 1.00 64.11 H new ATOM 0 HA VAL A 51 4.211 -22.723 -9.542 1.00 54.52 H new ATOM 0 HB VAL A 51 2.574 -21.848 -11.946 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.755 -21.924 -13.084 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.772 -20.810 -11.696 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.529 -22.414 -11.558 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.296 -23.917 -13.066 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.009 -24.490 -11.539 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.250 -24.253 -11.666 1.00 50.43 H new ATOM 851 N LYS A 52 2.813 -20.677 -8.291 1.00 54.43 N ATOM 852 CA LYS A 52 2.600 -19.331 -7.773 1.00 32.42 C ATOM 853 C LYS A 52 3.070 -19.225 -6.325 1.00 50.21 C ATOM 854 O LYS A 52 3.331 -20.235 -5.671 1.00 11.15 O ATOM 855 CB LYS A 52 1.121 -18.953 -7.868 1.00 21.22 C ATOM 856 CG LYS A 52 0.809 -18.000 -9.009 1.00 10.13 C ATOM 857 CD LYS A 52 -0.657 -17.598 -9.016 1.00 32.21 C ATOM 858 CE LYS A 52 -0.886 -16.315 -8.232 1.00 73.31 C ATOM 859 NZ LYS A 52 -2.083 -16.410 -7.350 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.736 -21.415 -7.591 1.00 54.43 H new ATOM 0 HA LYS A 52 3.185 -18.639 -8.379 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.530 -19.860 -7.992 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.810 -18.496 -6.929 1.00 21.22 H new ATOM 0 HG2 LYS A 52 1.431 -17.109 -8.920 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.062 -18.472 -9.958 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.994 -17.463 -10.044 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.258 -18.400 -8.587 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -0.006 -16.097 -7.627 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -1.011 -15.483 -8.925 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -2.205 -15.516 -6.833 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.927 -16.593 -7.929 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -1.953 -17.187 -6.672 1.00 35.03 H new ATOM 873 N LEU A 53 3.175 -17.996 -5.830 1.00 61.23 N ATOM 874 CA LEU A 53 3.611 -17.759 -4.459 1.00 12.34 C ATOM 875 C LEU A 53 2.596 -16.908 -3.703 1.00 64.35 C ATOM 876 O LEU A 53 2.560 -15.687 -3.850 1.00 64.45 O ATOM 877 CB LEU A 53 4.978 -17.070 -4.450 1.00 22.14 C ATOM 878 CG LEU A 53 6.176 -17.958 -4.115 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.494 -18.887 -5.277 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.388 -17.109 -3.761 1.00 42.33 C ATOM 0 H LEU A 53 2.964 -17.149 -6.358 1.00 61.23 H new ATOM 0 HA LEU A 53 3.693 -18.724 -3.958 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.144 -16.625 -5.431 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.945 -16.252 -3.730 1.00 22.14 H new ATOM 0 HG LEU A 53 5.920 -18.568 -3.249 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.350 -19.511 -5.020 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.631 -19.521 -5.483 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.729 -18.296 -6.162 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.231 -17.759 -3.525 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.646 -16.472 -4.607 1.00 42.33 H new ATOM 0 HD23 LEU A 53 7.157 -16.487 -2.896 1.00 42.33 H new ATOM 892 N VAL A 54 1.770 -17.564 -2.892 1.00 5.45 N ATOM 893 CA VAL A 54 0.756 -16.867 -2.110 1.00 41.23 C ATOM 894 C VAL A 54 1.212 -16.668 -0.670 1.00 45.12 C ATOM 895 O VAL A 54 2.284 -17.130 -0.279 1.00 72.40 O ATOM 896 CB VAL A 54 -0.579 -17.636 -2.112 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.922 -18.107 -3.518 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.518 -18.811 -1.147 1.00 11.01 C ATOM 0 H VAL A 54 1.784 -18.575 -2.760 1.00 5.45 H new ATOM 0 HA VAL A 54 0.609 -15.894 -2.578 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.368 -16.962 -1.778 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.868 -18.648 -3.500 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.010 -17.245 -4.179 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.134 -18.766 -3.883 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.469 -19.343 -1.161 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.281 -19.488 -1.448 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.322 -18.444 -0.139 1.00 11.01 H new ATOM 908 N GLU A 55 0.392 -15.978 0.116 1.00 21.23 N ATOM 909 CA GLU A 55 0.712 -15.717 1.514 1.00 34.21 C ATOM 910 C GLU A 55 -0.172 -16.548 2.440 1.00 31.12 C ATOM 911 O GLU A 55 -1.378 -16.315 2.538 1.00 24.40 O ATOM 912 CB GLU A 55 0.544 -14.229 1.831 1.00 60.31 C ATOM 913 CG GLU A 55 -0.747 -13.635 1.294 1.00 21.34 C ATOM 914 CD GLU A 55 -0.596 -13.084 -0.110 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.307 -12.249 -0.325 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.382 -13.487 -0.994 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.499 -15.589 -0.192 1.00 21.23 H new ATOM 0 HA GLU A 55 1.751 -16.001 1.680 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.576 -14.090 2.912 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.388 -13.680 1.414 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.524 -14.400 1.299 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.080 -12.838 1.959 1.00 21.34 H new ATOM 923 N SER A 56 0.435 -17.518 3.115 1.00 73.41 N ATOM 924 CA SER A 56 -0.298 -18.387 4.030 1.00 43.24 C ATOM 925 C SER A 56 0.662 -19.222 4.871 1.00 1.33 C ATOM 926 O SER A 56 1.865 -19.252 4.614 1.00 11.10 O ATOM 927 CB SER A 56 -1.240 -19.305 3.249 1.00 44.34 C ATOM 928 OG SER A 56 -2.581 -18.855 3.338 1.00 12.25 O ATOM 0 H SER A 56 1.432 -17.723 3.046 1.00 73.41 H new ATOM 0 HA SER A 56 -0.886 -17.758 4.698 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.934 -19.341 2.203 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.168 -20.321 3.637 1.00 44.34 H new ATOM 0 HG SER A 56 -2.624 -17.906 3.097 1.00 12.25 H new ATOM 934 N ASP A 57 0.121 -19.899 5.877 1.00 31.32 N ATOM 935 CA ASP A 57 0.927 -20.737 6.757 1.00 71.22 C ATOM 936 C ASP A 57 0.333 -22.138 6.870 1.00 51.13 C ATOM 937 O ASP A 57 -0.780 -22.313 7.366 1.00 50.20 O ATOM 938 CB ASP A 57 1.032 -20.102 8.145 1.00 63.23 C ATOM 939 CG ASP A 57 1.464 -21.095 9.205 1.00 3.54 C ATOM 940 OD1 ASP A 57 2.441 -21.835 8.963 1.00 2.01 O1- ATOM 941 OD2 ASP A 57 0.823 -21.136 10.277 1.00 34.13 O ATOM 0 H ASP A 57 -0.873 -19.884 6.104 1.00 31.32 H new ATOM 0 HA ASP A 57 1.925 -20.819 6.326 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.745 -19.278 8.111 1.00 63.23 H new ATOM 0 HB3 ASP A 57 0.067 -19.677 8.421 1.00 63.23 H new ATOM 946 N ASP A 58 1.083 -23.130 6.404 1.00 42.15 N ATOM 947 CA ASP A 58 0.631 -24.517 6.452 1.00 13.22 C ATOM 948 C ASP A 58 1.816 -25.476 6.429 1.00 50.02 C ATOM 949 O ASP A 58 2.952 -25.068 6.188 1.00 32.03 O ATOM 950 CB ASP A 58 -0.302 -24.812 5.277 1.00 32.33 C ATOM 951 CG ASP A 58 -1.252 -23.665 4.988 1.00 34.24 C ATOM 952 OD1 ASP A 58 -2.313 -23.596 5.642 1.00 62.33 O ATOM 953 OD2 ASP A 58 -0.933 -22.837 4.111 1.00 21.22 O1- ATOM 0 H ASP A 58 2.006 -23.001 5.989 1.00 42.15 H new ATOM 0 HA ASP A 58 0.086 -24.664 7.385 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.293 -25.020 4.388 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.878 -25.712 5.492 1.00 32.33 H new ATOM 958 N ALA A 59 1.544 -26.751 6.684 1.00 54.42 N ATOM 959 CA ALA A 59 2.588 -27.769 6.692 1.00 64.04 C ATOM 960 C ALA A 59 3.410 -27.722 5.408 1.00 23.53 C ATOM 961 O ALA A 59 2.950 -27.218 4.384 1.00 64.14 O ATOM 962 CB ALA A 59 1.978 -29.150 6.881 1.00 20.01 C ATOM 0 H ALA A 59 0.609 -27.104 6.888 1.00 54.42 H new ATOM 0 HA ALA A 59 3.256 -27.562 7.528 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.769 -29.900 6.885 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.441 -29.184 7.829 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.286 -29.357 6.065 1.00 20.01 H new ATOM 968 N ALA A 60 4.627 -28.251 5.471 1.00 25.42 N ATOM 969 CA ALA A 60 5.512 -28.271 4.313 1.00 52.24 C ATOM 970 C ALA A 60 6.716 -29.175 4.557 1.00 52.10 C ATOM 971 O ALA A 60 7.260 -29.214 5.660 1.00 32.51 O ATOM 972 CB ALA A 60 5.970 -26.860 3.974 1.00 60.25 C ATOM 0 H ALA A 60 5.023 -28.672 6.312 1.00 25.42 H new ATOM 0 HA ALA A 60 4.954 -28.673 3.468 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.630 -26.890 3.107 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.102 -26.240 3.748 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.506 -26.437 4.824 1.00 60.25 H new ATOM 978 N GLU A 61 7.125 -29.900 3.521 1.00 12.15 N ATOM 979 CA GLU A 61 8.263 -30.805 3.625 1.00 60.24 C ATOM 980 C GLU A 61 9.546 -30.034 3.920 1.00 60.45 C ATOM 981 O GLU A 61 10.497 -30.579 4.481 1.00 34.32 O ATOM 982 CB GLU A 61 8.424 -31.609 2.333 1.00 40.01 C ATOM 983 CG GLU A 61 8.273 -33.109 2.526 1.00 60.43 C ATOM 984 CD GLU A 61 6.988 -33.478 3.240 1.00 63.55 C ATOM 985 OE1 GLU A 61 5.904 -33.286 2.650 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 7.066 -33.959 4.390 1.00 10.35 O ATOM 0 H GLU A 61 6.686 -29.878 2.601 1.00 12.15 H new ATOM 0 HA GLU A 61 8.074 -31.491 4.450 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.684 -31.268 1.609 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.406 -31.403 1.907 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.298 -33.601 1.554 1.00 60.43 H new ATOM 0 HG3 GLU A 61 9.122 -33.486 3.096 1.00 60.43 H new ATOM 993 N ALA A 62 9.566 -28.761 3.537 1.00 4.02 N ATOM 994 CA ALA A 62 10.731 -27.914 3.760 1.00 60.23 C ATOM 995 C ALA A 62 10.315 -26.512 4.196 1.00 52.32 C ATOM 996 O ALA A 62 9.547 -25.840 3.507 1.00 12.21 O ATOM 997 CB ALA A 62 11.584 -27.847 2.502 1.00 14.02 C ATOM 0 H ALA A 62 8.788 -28.294 3.071 1.00 4.02 H new ATOM 0 HA ALA A 62 11.322 -28.355 4.563 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.450 -27.211 2.683 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.919 -28.849 2.236 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.994 -27.432 1.684 1.00 14.02 H new ATOM 1003 N THR A 63 10.827 -26.079 5.343 1.00 64.23 N ATOM 1004 CA THR A 63 10.507 -24.758 5.872 1.00 11.41 C ATOM 1005 C THR A 63 11.702 -23.819 5.763 1.00 73.24 C ATOM 1006 O THR A 63 12.811 -24.156 6.180 1.00 53.04 O ATOM 1007 CB THR A 63 10.061 -24.835 7.344 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.857 -25.602 7.451 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.833 -23.443 7.913 1.00 45.10 C ATOM 0 H THR A 63 11.465 -26.623 5.924 1.00 64.23 H new ATOM 0 HA THR A 63 9.685 -24.367 5.272 1.00 11.41 H new ATOM 0 HB THR A 63 10.852 -25.319 7.916 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.581 -25.648 8.390 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.519 -23.522 8.954 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.759 -22.871 7.856 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.058 -22.937 7.337 1.00 45.10 H new ATOM 1017 N LEU A 64 11.470 -22.637 5.201 1.00 31.21 N ATOM 1018 CA LEU A 64 12.529 -21.646 5.038 1.00 23.22 C ATOM 1019 C LEU A 64 12.110 -20.301 5.622 1.00 10.31 C ATOM 1020 O LEU A 64 11.183 -19.657 5.128 1.00 34.35 O ATOM 1021 CB LEU A 64 12.881 -21.486 3.558 1.00 42.20 C ATOM 1022 CG LEU A 64 12.888 -22.768 2.727 1.00 33.54 C ATOM 1023 CD1 LEU A 64 11.595 -22.900 1.937 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.090 -22.793 1.794 1.00 33.52 C ATOM 0 H LEU A 64 10.559 -22.342 4.851 1.00 31.21 H new ATOM 0 HA LEU A 64 13.408 -21.997 5.578 1.00 23.22 H new ATOM 0 HB2 LEU A 64 12.172 -20.790 3.110 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.867 -21.026 3.487 1.00 42.20 H new ATOM 0 HG LEU A 64 12.963 -23.617 3.406 1.00 33.54 H new ATOM 0 HD11 LEU A 64 11.619 -23.819 1.351 1.00 24.14 H new ATOM 0 HD12 LEU A 64 10.750 -22.930 2.625 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.489 -22.046 1.268 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.078 -23.713 1.210 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.047 -21.936 1.122 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.007 -22.747 2.381 1.00 33.52 H new ATOM 1036 N THR A 65 12.800 -19.878 6.677 1.00 71.33 N ATOM 1037 CA THR A 65 12.501 -18.609 7.328 1.00 73.12 C ATOM 1038 C THR A 65 13.536 -17.550 6.969 1.00 14.11 C ATOM 1039 O THR A 65 14.740 -17.798 7.033 1.00 44.01 O ATOM 1040 CB THR A 65 12.450 -18.762 8.860 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.033 -20.088 9.206 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.496 -17.749 9.473 1.00 42.34 C ATOM 0 H THR A 65 13.570 -20.397 7.099 1.00 71.33 H new ATOM 0 HA THR A 65 11.522 -18.293 6.969 1.00 73.12 H new ATOM 0 HB THR A 65 13.450 -18.581 9.255 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.821 -20.654 9.343 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.477 -17.876 10.555 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.832 -16.741 9.232 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.494 -17.903 9.072 1.00 42.34 H new ATOM 1050 N MET A 66 13.060 -16.368 6.592 1.00 44.23 N ATOM 1051 CA MET A 66 13.946 -15.269 6.224 1.00 35.33 C ATOM 1052 C MET A 66 13.252 -13.925 6.414 1.00 74.32 C ATOM 1053 O MET A 66 12.050 -13.799 6.185 1.00 1.23 O ATOM 1054 CB MET A 66 14.405 -15.420 4.771 1.00 73.33 C ATOM 1055 CG MET A 66 15.557 -16.396 4.596 1.00 31.14 C ATOM 1056 SD MET A 66 16.085 -16.545 2.879 1.00 74.11 S ATOM 1057 CE MET A 66 16.110 -18.326 2.686 1.00 64.32 C ATOM 0 H MET A 66 12.066 -16.146 6.533 1.00 44.23 H new ATOM 0 HA MET A 66 14.818 -15.303 6.878 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.562 -15.753 4.165 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.705 -14.444 4.390 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.400 -16.070 5.205 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.257 -17.376 4.966 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.419 -18.578 1.671 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.813 -18.759 3.397 1.00 64.32 H new ATOM 0 HE3 MET A 66 15.113 -18.726 2.872 1.00 64.32 H new ATOM 1067 N GLU A 67 14.018 -12.922 6.832 1.00 74.44 N ATOM 1068 CA GLU A 67 13.475 -11.587 7.053 1.00 65.21 C ATOM 1069 C GLU A 67 13.310 -10.841 5.732 1.00 21.25 C ATOM 1070 O GLU A 67 13.911 -11.205 4.721 1.00 71.54 O ATOM 1071 CB GLU A 67 14.386 -10.790 7.990 1.00 61.44 C ATOM 1072 CG GLU A 67 14.443 -11.347 9.402 1.00 20.41 C ATOM 1073 CD GLU A 67 14.554 -10.261 10.454 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.050 -9.164 10.123 1.00 70.53 O ATOM 1075 OE2 GLU A 67 14.146 -10.508 11.608 1.00 14.41 O1- ATOM 0 H GLU A 67 15.016 -13.009 7.024 1.00 74.44 H new ATOM 0 HA GLU A 67 12.494 -11.694 7.515 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.394 -10.772 7.575 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.039 -9.758 8.029 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.548 -11.940 9.591 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.296 -12.020 9.489 1.00 20.41 H new ATOM 1082 N ASP A 68 12.489 -9.797 5.748 1.00 21.12 N ATOM 1083 CA ASP A 68 12.243 -8.999 4.552 1.00 71.10 C ATOM 1084 C ASP A 68 13.555 -8.627 3.868 1.00 24.42 C ATOM 1085 O ASP A 68 13.777 -8.963 2.705 1.00 74.24 O ATOM 1086 CB ASP A 68 11.462 -7.733 4.909 1.00 64.02 C ATOM 1087 CG ASP A 68 10.268 -7.514 4.001 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.420 -8.425 3.907 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 10.184 -6.432 3.384 1.00 12.13 O ATOM 0 H ASP A 68 11.982 -9.483 6.576 1.00 21.12 H new ATOM 0 HA ASP A 68 11.651 -9.598 3.860 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.122 -7.799 5.942 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.125 -6.870 4.846 1.00 64.02 H new ATOM 1094 N ASP A 69 14.420 -7.931 4.598 1.00 45.41 N ATOM 1095 CA ASP A 69 15.709 -7.512 4.062 1.00 14.54 C ATOM 1096 C ASP A 69 16.452 -8.695 3.447 1.00 22.43 C ATOM 1097 O ASP A 69 17.138 -8.552 2.434 1.00 53.21 O ATOM 1098 CB ASP A 69 16.560 -6.876 5.162 1.00 1.15 C ATOM 1099 CG ASP A 69 17.553 -5.868 4.615 1.00 54.42 C ATOM 1100 OD1 ASP A 69 17.701 -5.793 3.377 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 18.183 -5.156 5.425 1.00 74.02 O ATOM 0 H ASP A 69 14.251 -7.645 5.563 1.00 45.41 H new ATOM 0 HA ASP A 69 15.528 -6.774 3.281 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.908 -6.384 5.884 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.098 -7.657 5.699 1.00 1.15 H new ATOM 1106 N ILE A 70 16.312 -9.862 4.067 1.00 1.14 N ATOM 1107 CA ILE A 70 16.969 -11.069 3.581 1.00 43.35 C ATOM 1108 C ILE A 70 16.335 -11.554 2.283 1.00 31.44 C ATOM 1109 O ILE A 70 17.013 -12.115 1.422 1.00 24.31 O ATOM 1110 CB ILE A 70 16.909 -12.201 4.624 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.908 -11.938 5.753 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.189 -13.543 3.964 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.345 -11.874 5.285 1.00 73.31 C ATOM 0 H ILE A 70 15.749 -9.997 4.907 1.00 1.14 H new ATOM 0 HA ILE A 70 18.012 -10.810 3.398 1.00 43.35 H new ATOM 0 HB ILE A 70 15.907 -12.229 5.051 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.652 -10.999 6.243 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.813 -12.724 6.502 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.143 -14.333 4.713 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.443 -13.731 3.192 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.181 -13.527 3.514 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.997 -11.685 6.138 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.619 -12.822 4.821 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.455 -11.069 4.558 1.00 73.31 H new ATOM 1125 N MET A 71 15.032 -11.333 2.147 1.00 71.51 N ATOM 1126 CA MET A 71 14.307 -11.746 0.951 1.00 43.30 C ATOM 1127 C MET A 71 14.839 -11.025 -0.283 1.00 65.43 C ATOM 1128 O MET A 71 15.094 -11.645 -1.316 1.00 75.00 O ATOM 1129 CB MET A 71 12.812 -11.467 1.113 1.00 72.31 C ATOM 1130 CG MET A 71 11.925 -12.581 0.580 1.00 1.33 C ATOM 1131 SD MET A 71 12.049 -14.094 1.554 1.00 74.13 S ATOM 1132 CE MET A 71 13.116 -15.083 0.508 1.00 31.24 C ATOM 0 H MET A 71 14.456 -10.870 2.850 1.00 71.51 H new ATOM 0 HA MET A 71 14.457 -12.817 0.818 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.592 -11.312 2.169 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.566 -10.539 0.597 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.889 -12.243 0.572 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.199 -12.795 -0.453 1.00 1.33 H new ATOM 0 HE1 MET A 71 13.743 -15.722 1.129 1.00 31.24 H new ATOM 0 HE2 MET A 71 12.507 -15.702 -0.151 1.00 31.24 H new ATOM 0 HE3 MET A 71 13.748 -14.427 -0.091 1.00 31.24 H new ATOM 1142 N PHE A 72 15.005 -9.711 -0.169 1.00 41.54 N ATOM 1143 CA PHE A 72 15.507 -8.904 -1.277 1.00 22.30 C ATOM 1144 C PHE A 72 16.962 -9.248 -1.585 1.00 43.01 C ATOM 1145 O PHE A 72 17.398 -9.173 -2.733 1.00 63.32 O ATOM 1146 CB PHE A 72 15.380 -7.416 -0.950 1.00 44.00 C ATOM 1147 CG PHE A 72 15.811 -6.516 -2.073 1.00 52.50 C ATOM 1148 CD1 PHE A 72 14.997 -6.327 -3.178 1.00 2.12 C ATOM 1149 CD2 PHE A 72 17.031 -5.861 -2.024 1.00 61.23 C ATOM 1150 CE1 PHE A 72 15.390 -5.500 -4.213 1.00 51.42 C ATOM 1151 CE2 PHE A 72 17.428 -5.033 -3.056 1.00 44.43 C ATOM 1152 CZ PHE A 72 16.608 -4.852 -4.153 1.00 61.11 C ATOM 0 H PHE A 72 14.800 -9.182 0.679 1.00 41.54 H new ATOM 0 HA PHE A 72 14.906 -9.127 -2.158 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.343 -7.195 -0.696 1.00 44.00 H new ATOM 0 HB3 PHE A 72 15.979 -7.194 -0.067 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.044 -6.832 -3.231 1.00 2.12 H new ATOM 0 HD2 PHE A 72 17.678 -5.999 -1.170 1.00 61.23 H new ATOM 0 HE1 PHE A 72 14.745 -5.361 -5.068 1.00 51.42 H new ATOM 0 HE2 PHE A 72 18.381 -4.527 -3.005 1.00 44.43 H new ATOM 0 HZ PHE A 72 16.918 -4.206 -4.961 1.00 61.11 H new ATOM 1162 N ALA A 73 17.706 -9.622 -0.551 1.00 72.11 N ATOM 1163 CA ALA A 73 19.110 -9.978 -0.709 1.00 15.10 C ATOM 1164 C ALA A 73 19.260 -11.361 -1.332 1.00 3.03 C ATOM 1165 O ALA A 73 19.846 -11.511 -2.405 1.00 20.54 O ATOM 1166 CB ALA A 73 19.824 -9.922 0.633 1.00 40.23 C ATOM 0 H ALA A 73 17.360 -9.687 0.406 1.00 72.11 H new ATOM 0 HA ALA A 73 19.568 -9.253 -1.382 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.872 -10.190 0.499 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.757 -8.913 1.039 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.355 -10.623 1.324 1.00 40.23 H new ATOM 1172 N ILE A 74 18.725 -12.372 -0.653 1.00 62.02 N ATOM 1173 CA ILE A 74 18.799 -13.743 -1.141 1.00 2.11 C ATOM 1174 C ILE A 74 18.054 -13.897 -2.463 1.00 5.14 C ATOM 1175 O ILE A 74 18.542 -14.539 -3.391 1.00 43.34 O ATOM 1176 CB ILE A 74 18.217 -14.737 -0.118 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.203 -14.953 1.032 1.00 44.31 C ATOM 1178 CG2 ILE A 74 17.884 -16.058 -0.793 1.00 21.22 C ATOM 1179 CD1 ILE A 74 20.373 -15.840 0.665 1.00 30.22 C ATOM 0 H ILE A 74 18.236 -12.266 0.236 1.00 62.02 H new ATOM 0 HA ILE A 74 19.855 -13.967 -1.293 1.00 2.11 H new ATOM 0 HB ILE A 74 17.297 -14.319 0.290 1.00 11.55 H new ATOM 0 HG12 ILE A 74 19.580 -13.986 1.363 1.00 44.31 H new ATOM 0 HG13 ILE A 74 18.673 -15.394 1.876 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.474 -16.749 -0.057 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.150 -15.889 -1.581 1.00 21.22 H new ATOM 0 HG23 ILE A 74 18.789 -16.484 -1.226 1.00 21.22 H new ATOM 0 HD11 ILE A 74 21.031 -15.950 1.527 1.00 30.22 H new ATOM 0 HD12 ILE A 74 20.005 -16.820 0.362 1.00 30.22 H new ATOM 0 HD13 ILE A 74 20.927 -15.390 -0.159 1.00 30.22 H new ATOM 1191 N GLY A 75 16.868 -13.302 -2.540 1.00 3.13 N ATOM 1192 CA GLY A 75 16.075 -13.382 -3.753 1.00 32.31 C ATOM 1193 C GLY A 75 16.857 -12.973 -4.986 1.00 1.25 C ATOM 1194 O GLY A 75 16.674 -13.541 -6.063 1.00 54.01 O ATOM 0 H GLY A 75 16.442 -12.766 -1.784 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.712 -14.402 -3.879 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.199 -12.741 -3.653 1.00 32.31 H new ATOM 1198 N THR A 76 17.731 -11.985 -4.829 1.00 53.52 N ATOM 1199 CA THR A 76 18.542 -11.498 -5.938 1.00 44.22 C ATOM 1200 C THR A 76 19.928 -12.132 -5.925 1.00 51.23 C ATOM 1201 O THR A 76 20.762 -11.842 -6.782 1.00 5.23 O ATOM 1202 CB THR A 76 18.691 -9.965 -5.894 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.306 -9.568 -4.664 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.336 -9.286 -6.033 1.00 74.33 C ATOM 0 H THR A 76 17.896 -11.506 -3.944 1.00 53.52 H new ATOM 0 HA THR A 76 18.025 -11.780 -6.855 1.00 44.22 H new ATOM 0 HB THR A 76 19.321 -9.658 -6.729 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.615 -9.429 -3.983 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.466 -8.204 -5.999 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.884 -9.568 -6.984 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.687 -9.599 -5.216 1.00 74.33 H new ATOM 1212 N GLY A 77 20.168 -13.002 -4.949 1.00 1.41 N ATOM 1213 CA GLY A 77 21.454 -13.665 -4.845 1.00 40.44 C ATOM 1214 C GLY A 77 22.570 -12.709 -4.467 1.00 21.42 C ATOM 1215 O GLY A 77 23.711 -12.876 -4.897 1.00 72.34 O ATOM 0 H GLY A 77 19.494 -13.259 -4.228 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.391 -14.458 -4.100 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.693 -14.140 -5.797 1.00 40.44 H new ATOM 1219 N ALA A 78 22.238 -11.704 -3.663 1.00 14.03 N ATOM 1220 CA ALA A 78 23.221 -10.719 -3.228 1.00 4.53 C ATOM 1221 C ALA A 78 24.022 -11.231 -2.036 1.00 51.42 C ATOM 1222 O ALA A 78 25.244 -11.083 -1.986 1.00 12.13 O ATOM 1223 CB ALA A 78 22.533 -9.407 -2.879 1.00 15.31 C ATOM 0 H ALA A 78 21.297 -11.551 -3.300 1.00 14.03 H new ATOM 0 HA ALA A 78 23.915 -10.547 -4.051 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.278 -8.680 -2.556 1.00 15.31 H new ATOM 0 HB2 ALA A 78 22.011 -9.025 -3.756 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.817 -9.574 -2.075 1.00 15.31 H new ATOM 1229 N LEU A 79 23.328 -11.835 -1.077 1.00 34.13 N ATOM 1230 CA LEU A 79 23.975 -12.369 0.115 1.00 54.32 C ATOM 1231 C LEU A 79 24.029 -13.893 0.069 1.00 62.35 C ATOM 1232 O LEU A 79 23.119 -14.556 -0.429 1.00 75.14 O ATOM 1233 CB LEU A 79 23.232 -11.911 1.372 1.00 45.25 C ATOM 1234 CG LEU A 79 23.536 -10.492 1.851 1.00 22.42 C ATOM 1235 CD1 LEU A 79 22.662 -10.132 3.042 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.009 -10.352 2.206 1.00 23.31 C ATOM 0 H LEU A 79 22.317 -11.967 -1.103 1.00 34.13 H new ATOM 0 HA LEU A 79 24.996 -11.988 0.145 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.161 -11.988 1.185 1.00 45.25 H new ATOM 0 HB3 LEU A 79 23.465 -12.604 2.180 1.00 45.25 H new ATOM 0 HG LEU A 79 23.312 -9.800 1.039 1.00 22.42 H new ATOM 0 HD11 LEU A 79 22.893 -9.118 3.369 1.00 41.33 H new ATOM 0 HD12 LEU A 79 21.612 -10.190 2.754 1.00 41.33 H new ATOM 0 HD13 LEU A 79 22.854 -10.829 3.858 1.00 41.33 H new ATOM 0 HD21 LEU A 79 25.207 -9.335 2.545 1.00 23.31 H new ATOM 0 HD22 LEU A 79 25.260 -11.055 3.001 1.00 23.31 H new ATOM 0 HD23 LEU A 79 25.617 -10.566 1.327 1.00 23.31 H new ATOM 1248 N PRO A 80 25.119 -14.463 0.603 1.00 14.00 N ATOM 1249 CA PRO A 80 25.316 -15.916 0.638 1.00 41.14 C ATOM 1250 C PRO A 80 24.360 -16.607 1.604 1.00 21.40 C ATOM 1251 O PRO A 80 24.362 -16.325 2.802 1.00 0.41 O ATOM 1252 CB PRO A 80 26.762 -16.066 1.117 1.00 72.45 C ATOM 1253 CG PRO A 80 27.038 -14.821 1.886 1.00 25.51 C ATOM 1254 CD PRO A 80 26.242 -13.735 1.215 1.00 63.44 C ATOM 0 HA PRO A 80 25.124 -16.377 -0.331 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.882 -16.952 1.741 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.448 -16.173 0.277 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.743 -14.933 2.929 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.102 -14.586 1.879 1.00 25.51 H new ATOM 0 HD2 PRO A 80 25.895 -12.990 1.931 1.00 63.44 H new ATOM 0 HD3 PRO A 80 26.834 -13.207 0.467 1.00 63.44 H new ATOM 1262 N ALA A 81 23.547 -17.516 1.075 1.00 32.45 N ATOM 1263 CA ALA A 81 22.588 -18.250 1.893 1.00 0.14 C ATOM 1264 C ALA A 81 23.293 -19.040 2.990 1.00 23.15 C ATOM 1265 O ALA A 81 22.763 -19.205 4.089 1.00 35.22 O ATOM 1266 CB ALA A 81 21.756 -19.179 1.021 1.00 1.12 C ATOM 0 H ALA A 81 23.533 -17.762 0.085 1.00 32.45 H new ATOM 0 HA ALA A 81 21.926 -17.528 2.371 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.044 -19.721 1.643 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.216 -18.593 0.277 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.412 -19.889 0.517 1.00 1.12 H new ATOM 1272 N LYS A 82 24.491 -19.526 2.685 1.00 52.31 N ATOM 1273 CA LYS A 82 25.270 -20.300 3.645 1.00 64.02 C ATOM 1274 C LYS A 82 25.798 -19.407 4.763 1.00 31.13 C ATOM 1275 O LYS A 82 25.531 -19.647 5.939 1.00 60.00 O ATOM 1276 CB LYS A 82 26.436 -20.998 2.942 1.00 15.40 C ATOM 1277 CG LYS A 82 26.622 -22.445 3.363 1.00 55.43 C ATOM 1278 CD LYS A 82 27.733 -23.118 2.574 1.00 25.31 C ATOM 1279 CE LYS A 82 28.416 -24.206 3.389 1.00 43.03 C ATOM 1280 NZ LYS A 82 29.892 -24.200 3.193 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.944 -19.398 1.780 1.00 52.31 H new ATOM 0 HA LYS A 82 24.615 -21.053 4.084 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.275 -20.960 1.865 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.354 -20.448 3.147 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.853 -22.488 4.427 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.689 -22.990 3.217 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.322 -23.549 1.661 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.469 -22.373 2.271 1.00 25.31 H new ATOM 0 HE2 LYS A 82 28.189 -24.065 4.446 1.00 43.03 H new ATOM 0 HE3 LYS A 82 28.016 -25.179 3.104 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 30.321 -24.955 3.765 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 30.109 -24.360 2.189 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 30.278 -23.281 3.489 1.00 1.31 H new ATOM 1294 N GLU A 83 26.545 -18.374 4.386 1.00 54.33 N ATOM 1295 CA GLU A 83 27.109 -17.444 5.358 1.00 72.13 C ATOM 1296 C GLU A 83 26.006 -16.771 6.169 1.00 22.30 C ATOM 1297 O GLU A 83 26.103 -16.654 7.390 1.00 41.13 O ATOM 1298 CB GLU A 83 27.957 -16.385 4.651 1.00 33.31 C ATOM 1299 CG GLU A 83 29.391 -16.322 5.150 1.00 73.20 C ATOM 1300 CD GLU A 83 30.218 -17.511 4.701 1.00 31.14 C ATOM 1301 OE1 GLU A 83 29.624 -18.570 4.410 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.458 -17.382 4.640 1.00 42.32 O1- ATOM 0 H GLU A 83 26.774 -18.160 3.415 1.00 54.33 H new ATOM 0 HA GLU A 83 27.743 -18.010 6.040 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.962 -16.591 3.581 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.491 -15.409 4.786 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.857 -15.404 4.791 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.391 -16.275 6.239 1.00 73.20 H new ATOM 1309 N ALA A 84 24.959 -16.328 5.481 1.00 31.35 N ATOM 1310 CA ALA A 84 23.837 -15.668 6.137 1.00 33.22 C ATOM 1311 C ALA A 84 23.318 -16.498 7.305 1.00 0.53 C ATOM 1312 O ALA A 84 23.193 -16.003 8.424 1.00 54.02 O ATOM 1313 CB ALA A 84 22.722 -15.405 5.136 1.00 63.32 C ATOM 0 H ALA A 84 24.864 -16.414 4.469 1.00 31.35 H new ATOM 0 HA ALA A 84 24.188 -14.715 6.532 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.890 -14.912 5.639 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.094 -14.764 4.337 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.381 -16.351 4.714 1.00 63.32 H new ATOM 1319 N MET A 85 23.016 -17.765 7.037 1.00 15.31 N ATOM 1320 CA MET A 85 22.509 -18.665 8.066 1.00 72.33 C ATOM 1321 C MET A 85 23.626 -19.083 9.018 1.00 13.11 C ATOM 1322 O MET A 85 23.375 -19.407 10.179 1.00 65.35 O ATOM 1323 CB MET A 85 21.877 -19.903 7.427 1.00 14.13 C ATOM 1324 CG MET A 85 20.564 -19.616 6.718 1.00 2.33 C ATOM 1325 SD MET A 85 20.289 -20.696 5.301 1.00 30.31 S ATOM 1326 CE MET A 85 19.891 -19.497 4.032 1.00 34.22 C ATOM 0 H MET A 85 23.114 -18.191 6.115 1.00 15.31 H new ATOM 0 HA MET A 85 21.748 -18.133 8.637 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.580 -20.333 6.713 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.707 -20.654 8.199 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.742 -19.733 7.424 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.554 -18.578 6.386 1.00 2.33 H new ATOM 0 HE1 MET A 85 19.729 -20.010 3.084 1.00 34.22 H new ATOM 0 HE2 MET A 85 18.986 -18.958 4.312 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.715 -18.792 3.927 1.00 34.22 H new ATOM 1336 N ALA A 86 24.857 -19.075 8.520 1.00 22.40 N ATOM 1337 CA ALA A 86 26.011 -19.453 9.327 1.00 24.14 C ATOM 1338 C ALA A 86 26.166 -18.528 10.529 1.00 44.20 C ATOM 1339 O ALA A 86 26.630 -18.947 11.589 1.00 35.33 O ATOM 1340 CB ALA A 86 27.275 -19.437 8.480 1.00 41.43 C ATOM 0 H ALA A 86 25.082 -18.811 7.561 1.00 22.40 H new ATOM 0 HA ALA A 86 25.848 -20.465 9.698 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.129 -19.721 9.095 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.170 -20.143 7.656 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.433 -18.435 8.081 1.00 41.43 H new ATOM 1346 N GLN A 87 25.775 -17.270 10.357 1.00 21.33 N ATOM 1347 CA GLN A 87 25.872 -16.287 11.428 1.00 11.30 C ATOM 1348 C GLN A 87 24.606 -16.280 12.278 1.00 13.12 C ATOM 1349 O GLN A 87 24.252 -15.263 12.875 1.00 34.44 O ATOM 1350 CB GLN A 87 26.119 -14.892 10.849 1.00 62.44 C ATOM 1351 CG GLN A 87 27.470 -14.307 11.225 1.00 22.40 C ATOM 1352 CD GLN A 87 28.445 -14.294 10.064 1.00 42.41 C ATOM 1353 OE1 GLN A 87 29.375 -15.099 10.009 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.236 -13.377 9.126 1.00 23.23 N ATOM 0 H GLN A 87 25.388 -16.908 9.486 1.00 21.33 H new ATOM 0 HA GLN A 87 26.713 -16.563 12.064 1.00 11.30 H new ATOM 0 HB2 GLN A 87 26.043 -14.940 9.763 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.333 -14.220 11.194 1.00 62.44 H new ATOM 0 HG2 GLN A 87 27.332 -13.289 11.590 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.896 -14.885 12.045 1.00 22.40 H new ATOM 0 HE21 GLN A 87 27.453 -12.729 9.212 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.859 -13.321 8.320 1.00 23.23 H new ATOM 1363 N ASP A 88 23.928 -17.422 12.328 1.00 74.43 N ATOM 1364 CA ASP A 88 22.700 -17.548 13.106 1.00 30.11 C ATOM 1365 C ASP A 88 21.770 -16.365 12.851 1.00 61.34 C ATOM 1366 O ASP A 88 20.995 -15.973 13.721 1.00 12.20 O ATOM 1367 CB ASP A 88 23.025 -17.645 14.598 1.00 42.33 C ATOM 1368 CG ASP A 88 23.808 -18.897 14.940 1.00 10.02 C ATOM 1369 OD1 ASP A 88 24.187 -19.633 14.005 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 24.041 -19.141 16.142 1.00 73.51 O ATOM 0 H ASP A 88 24.207 -18.273 11.840 1.00 74.43 H new ATOM 0 HA ASP A 88 22.192 -18.460 12.792 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.598 -16.768 14.900 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.097 -17.632 15.170 1.00 42.33 H new ATOM 1375 N LYS A 89 21.856 -15.802 11.651 1.00 0.12 N ATOM 1376 CA LYS A 89 21.023 -14.664 11.278 1.00 50.20 C ATOM 1377 C LYS A 89 19.762 -15.126 10.555 1.00 23.34 C ATOM 1378 O LYS A 89 18.948 -14.311 10.125 1.00 54.12 O ATOM 1379 CB LYS A 89 21.809 -13.698 10.389 1.00 12.11 C ATOM 1380 CG LYS A 89 22.724 -12.766 11.164 1.00 1.11 C ATOM 1381 CD LYS A 89 22.426 -11.308 10.855 1.00 0.51 C ATOM 1382 CE LYS A 89 23.060 -10.380 11.878 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.722 -8.953 11.618 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.494 -16.115 10.919 1.00 0.12 H new ATOM 0 HA LYS A 89 20.728 -14.148 12.192 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.405 -14.273 9.681 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.107 -13.102 9.805 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.605 -12.944 12.233 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.763 -12.986 10.917 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.798 -11.063 9.860 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.347 -11.152 10.840 1.00 0.51 H new ATOM 0 HE2 LYS A 89 22.723 -10.657 12.877 1.00 23.00 H new ATOM 0 HE3 LYS A 89 24.143 -10.506 11.860 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 23.173 -8.353 12.337 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 23.066 -8.681 10.675 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.690 -8.827 11.660 1.00 64.21 H new ATOM 1397 N MET A 90 19.609 -16.440 10.424 1.00 61.54 N ATOM 1398 CA MET A 90 18.445 -17.010 9.754 1.00 34.14 C ATOM 1399 C MET A 90 18.166 -18.423 10.257 1.00 23.11 C ATOM 1400 O MET A 90 19.085 -19.150 10.632 1.00 52.43 O ATOM 1401 CB MET A 90 18.662 -17.029 8.239 1.00 63.10 C ATOM 1402 CG MET A 90 18.154 -15.780 7.538 1.00 53.24 C ATOM 1403 SD MET A 90 19.374 -15.070 6.416 1.00 10.12 S ATOM 1404 CE MET A 90 20.403 -14.160 7.568 1.00 55.23 C ATOM 0 H MET A 90 20.275 -17.129 10.772 1.00 61.54 H new ATOM 0 HA MET A 90 17.582 -16.385 9.983 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.726 -17.144 8.034 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.161 -17.901 7.819 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.250 -16.024 6.979 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.876 -15.036 8.285 1.00 53.24 H new ATOM 0 HE1 MET A 90 21.070 -13.498 7.016 1.00 55.23 H new ATOM 0 HE2 MET A 90 19.772 -13.568 8.231 1.00 55.23 H new ATOM 0 HE3 MET A 90 20.994 -14.860 8.159 1.00 55.23 H new ATOM 1414 N GLU A 91 16.892 -18.803 10.264 1.00 65.45 N ATOM 1415 CA GLU A 91 16.494 -20.128 10.723 1.00 11.40 C ATOM 1416 C GLU A 91 15.776 -20.894 9.615 1.00 34.33 C ATOM 1417 O GLU A 91 14.640 -20.578 9.261 1.00 12.44 O ATOM 1418 CB GLU A 91 15.586 -20.015 11.950 1.00 33.13 C ATOM 1419 CG GLU A 91 16.243 -19.319 13.130 1.00 21.12 C ATOM 1420 CD GLU A 91 15.831 -19.915 14.461 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.663 -20.339 14.587 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 16.678 -19.958 15.379 1.00 51.55 O ATOM 0 H GLU A 91 16.119 -18.212 9.957 1.00 65.45 H new ATOM 0 HA GLU A 91 17.396 -20.677 10.996 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.683 -19.471 11.674 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.275 -21.014 12.255 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.326 -19.382 13.027 1.00 21.12 H new ATOM 0 HG3 GLU A 91 15.983 -18.261 13.114 1.00 21.12 H new ATOM 1429 N VAL A 92 16.448 -21.904 9.071 1.00 4.22 N ATOM 1430 CA VAL A 92 15.876 -22.717 8.004 1.00 10.32 C ATOM 1431 C VAL A 92 15.854 -24.193 8.389 1.00 5.13 C ATOM 1432 O VAL A 92 16.800 -24.701 8.992 1.00 24.13 O ATOM 1433 CB VAL A 92 16.661 -22.551 6.691 1.00 74.54 C ATOM 1434 CG1 VAL A 92 18.124 -22.913 6.894 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.042 -23.400 5.589 1.00 24.44 C ATOM 0 H VAL A 92 17.389 -22.179 9.352 1.00 4.22 H new ATOM 0 HA VAL A 92 14.854 -22.369 7.854 1.00 10.32 H new ATOM 0 HB VAL A 92 16.609 -21.506 6.387 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.663 -22.790 5.955 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.559 -22.260 7.651 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.200 -23.950 7.222 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.610 -23.270 4.668 1.00 24.44 H new ATOM 0 HG22 VAL A 92 16.062 -24.449 5.883 1.00 24.44 H new ATOM 0 HG23 VAL A 92 15.010 -23.089 5.426 1.00 24.44 H new ATOM 1445 N ASP A 93 14.770 -24.874 8.036 1.00 5.23 N ATOM 1446 CA ASP A 93 14.626 -26.292 8.343 1.00 71.33 C ATOM 1447 C ASP A 93 14.155 -27.068 7.116 1.00 3.43 C ATOM 1448 O ASP A 93 13.036 -26.880 6.641 1.00 70.13 O ATOM 1449 CB ASP A 93 13.639 -26.489 9.495 1.00 63.55 C ATOM 1450 CG ASP A 93 13.888 -25.527 10.640 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.997 -25.559 11.211 1.00 3.05 O ATOM 1452 OD2 ASP A 93 12.972 -24.743 10.964 1.00 61.15 O1- ATOM 0 H ASP A 93 13.978 -24.468 7.537 1.00 5.23 H new ATOM 0 HA ASP A 93 15.602 -26.675 8.641 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.622 -26.355 9.126 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.712 -27.513 9.862 1.00 63.55 H new ATOM 1457 N GLY A 94 15.020 -27.941 6.606 1.00 62.44 N ATOM 1458 CA GLY A 94 14.675 -28.731 5.438 1.00 54.13 C ATOM 1459 C GLY A 94 15.880 -29.417 4.827 1.00 34.44 C ATOM 1460 O GLY A 94 17.020 -29.102 5.167 1.00 31.24 O ATOM 0 H GLY A 94 15.953 -28.115 6.981 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.935 -29.482 5.716 1.00 54.13 H new ATOM 0 HA3 GLY A 94 14.210 -28.087 4.692 1.00 54.13 H new ATOM 1464 N GLN A 95 15.628 -30.359 3.923 1.00 20.11 N ATOM 1465 CA GLN A 95 16.702 -31.093 3.265 1.00 74.11 C ATOM 1466 C GLN A 95 17.656 -30.140 2.554 1.00 14.41 C ATOM 1467 O GLN A 95 17.256 -29.403 1.651 1.00 70.12 O ATOM 1468 CB GLN A 95 16.125 -32.097 2.266 1.00 43.12 C ATOM 1469 CG GLN A 95 16.597 -33.523 2.494 1.00 5.44 C ATOM 1470 CD GLN A 95 18.092 -33.613 2.726 1.00 62.14 C ATOM 1471 OE1 GLN A 95 18.884 -33.525 1.787 1.00 52.20 O ATOM 1472 NE2 GLN A 95 18.487 -33.789 3.981 1.00 15.42 N ATOM 0 H GLN A 95 14.690 -30.631 3.630 1.00 20.11 H new ATOM 0 HA GLN A 95 17.260 -31.633 4.029 1.00 74.11 H new ATOM 0 HB2 GLN A 95 15.037 -32.070 2.324 1.00 43.12 H new ATOM 0 HB3 GLN A 95 16.398 -31.790 1.256 1.00 43.12 H new ATOM 0 HG2 GLN A 95 16.074 -33.942 3.354 1.00 5.44 H new ATOM 0 HG3 GLN A 95 16.330 -34.132 1.631 1.00 5.44 H new ATOM 0 HE21 GLN A 95 17.796 -33.857 4.728 1.00 15.42 H new ATOM 0 HE22 GLN A 95 19.481 -33.857 4.198 1.00 15.42 H new ATOM 1481 N VAL A 96 18.920 -30.159 2.964 1.00 3.03 N ATOM 1482 CA VAL A 96 19.932 -29.297 2.365 1.00 31.30 C ATOM 1483 C VAL A 96 19.793 -29.258 0.848 1.00 11.34 C ATOM 1484 O VAL A 96 19.840 -28.191 0.237 1.00 40.02 O ATOM 1485 CB VAL A 96 21.354 -29.764 2.727 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.392 -28.809 2.157 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.505 -29.889 4.237 1.00 14.52 C ATOM 0 H VAL A 96 19.268 -30.762 3.709 1.00 3.03 H new ATOM 0 HA VAL A 96 19.773 -28.297 2.768 1.00 31.30 H new ATOM 0 HB VAL A 96 21.518 -30.747 2.285 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.390 -29.156 2.423 1.00 73.33 H new ATOM 0 HG12 VAL A 96 22.297 -28.774 1.072 1.00 73.33 H new ATOM 0 HG13 VAL A 96 22.233 -27.812 2.567 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.516 -30.220 4.475 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.321 -28.921 4.702 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.786 -30.616 4.616 1.00 14.52 H new ATOM 1497 N GLU A 97 19.620 -30.431 0.245 1.00 74.25 N ATOM 1498 CA GLU A 97 19.475 -30.531 -1.203 1.00 11.51 C ATOM 1499 C GLU A 97 18.276 -29.720 -1.686 1.00 42.00 C ATOM 1500 O GLU A 97 18.382 -28.936 -2.631 1.00 42.22 O ATOM 1501 CB GLU A 97 19.316 -31.994 -1.621 1.00 74.24 C ATOM 1502 CG GLU A 97 20.575 -32.594 -2.224 1.00 53.13 C ATOM 1503 CD GLU A 97 21.423 -33.323 -1.200 1.00 42.33 C ATOM 1504 OE1 GLU A 97 21.045 -34.447 -0.808 1.00 51.11 O ATOM 1505 OE2 GLU A 97 22.464 -32.769 -0.790 1.00 41.00 O1- ATOM 0 H GLU A 97 19.577 -31.324 0.736 1.00 74.25 H new ATOM 0 HA GLU A 97 20.376 -30.125 -1.662 1.00 11.51 H new ATOM 0 HB2 GLU A 97 19.024 -32.582 -0.751 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.504 -32.070 -2.345 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.298 -33.286 -3.019 1.00 53.13 H new ATOM 0 HG3 GLU A 97 21.167 -31.802 -2.682 1.00 53.13 H new ATOM 1512 N LEU A 98 17.136 -29.913 -1.032 1.00 4.22 N ATOM 1513 CA LEU A 98 15.916 -29.200 -1.394 1.00 45.51 C ATOM 1514 C LEU A 98 16.181 -27.705 -1.539 1.00 62.10 C ATOM 1515 O LEU A 98 15.881 -27.108 -2.574 1.00 75.13 O ATOM 1516 CB LEU A 98 14.831 -29.437 -0.342 1.00 63.45 C ATOM 1517 CG LEU A 98 14.215 -30.836 -0.317 1.00 24.15 C ATOM 1518 CD1 LEU A 98 13.168 -30.938 0.781 1.00 70.31 C ATOM 1519 CD2 LEU A 98 13.607 -31.175 -1.670 1.00 24.12 C ATOM 0 H LEU A 98 17.031 -30.557 -0.248 1.00 4.22 H new ATOM 0 HA LEU A 98 15.572 -29.584 -2.354 1.00 45.51 H new ATOM 0 HB2 LEU A 98 15.255 -29.231 0.641 1.00 63.45 H new ATOM 0 HB3 LEU A 98 14.032 -28.713 -0.503 1.00 63.45 H new ATOM 0 HG LEU A 98 15.005 -31.557 -0.105 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.740 -31.941 0.784 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.633 -30.739 1.747 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.379 -30.208 0.601 1.00 70.31 H new ATOM 0 HD21 LEU A 98 13.173 -32.174 -1.634 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.829 -30.450 -1.911 1.00 24.12 H new ATOM 0 HD23 LEU A 98 14.382 -31.144 -2.435 1.00 24.12 H new ATOM 1531 N ILE A 99 16.747 -27.106 -0.497 1.00 14.23 N ATOM 1532 CA ILE A 99 17.056 -25.681 -0.510 1.00 35.14 C ATOM 1533 C ILE A 99 18.196 -25.375 -1.475 1.00 52.03 C ATOM 1534 O ILE A 99 18.269 -24.283 -2.039 1.00 51.23 O ATOM 1535 CB ILE A 99 17.437 -25.176 0.894 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.655 -25.937 1.421 1.00 34.25 C ATOM 1537 CG2 ILE A 99 16.261 -25.321 1.848 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.197 -25.385 2.721 1.00 52.41 C ATOM 0 H ILE A 99 17.001 -27.585 0.367 1.00 14.23 H new ATOM 0 HA ILE A 99 16.155 -25.165 -0.841 1.00 35.14 H new ATOM 0 HB ILE A 99 17.694 -24.119 0.825 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.385 -26.983 1.564 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.443 -25.911 0.668 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.547 -24.960 2.836 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.418 -24.737 1.478 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.974 -26.370 1.915 1.00 43.42 H new ATOM 0 HD11 ILE A 99 20.059 -25.973 3.035 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.498 -24.347 2.578 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.424 -25.436 3.488 1.00 52.41 H new ATOM 1550 N PHE A 100 19.082 -26.346 -1.663 1.00 71.24 N ATOM 1551 CA PHE A 100 20.219 -26.181 -2.561 1.00 72.33 C ATOM 1552 C PHE A 100 19.760 -26.141 -4.017 1.00 42.50 C ATOM 1553 O PHE A 100 20.503 -25.716 -4.903 1.00 71.51 O ATOM 1554 CB PHE A 100 21.222 -27.319 -2.364 1.00 70.10 C ATOM 1555 CG PHE A 100 22.476 -27.161 -3.176 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.526 -26.387 -2.709 1.00 64.21 C ATOM 1557 CD2 PHE A 100 22.604 -27.786 -4.405 1.00 32.30 C ATOM 1558 CE1 PHE A 100 24.680 -26.239 -3.455 1.00 44.14 C ATOM 1559 CE2 PHE A 100 23.756 -27.643 -5.156 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.796 -26.868 -4.679 1.00 4.43 C ATOM 0 H PHE A 100 19.035 -27.256 -1.205 1.00 71.24 H new ATOM 0 HA PHE A 100 20.703 -25.234 -2.323 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.487 -27.380 -1.309 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.745 -28.263 -2.628 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.442 -25.894 -1.752 1.00 64.21 H new ATOM 0 HD2 PHE A 100 21.794 -28.393 -4.782 1.00 32.30 H new ATOM 0 HE1 PHE A 100 25.491 -25.632 -3.081 1.00 44.14 H new ATOM 0 HE2 PHE A 100 23.843 -28.136 -6.113 1.00 55.43 H new ATOM 0 HZ PHE A 100 25.698 -26.754 -5.262 1.00 4.43 H new ATOM 1570 N LEU A 101 18.531 -26.585 -4.256 1.00 25.32 N ATOM 1571 CA LEU A 101 17.972 -26.600 -5.603 1.00 40.32 C ATOM 1572 C LEU A 101 17.554 -25.197 -6.036 1.00 65.23 C ATOM 1573 O LEU A 101 17.644 -24.847 -7.213 1.00 62.41 O ATOM 1574 CB LEU A 101 16.770 -27.544 -5.667 1.00 25.44 C ATOM 1575 CG LEU A 101 17.081 -29.036 -5.547 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.918 -29.775 -4.904 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.400 -29.625 -6.913 1.00 22.30 C ATOM 0 H LEU A 101 17.903 -26.939 -3.535 1.00 25.32 H new ATOM 0 HA LEU A 101 18.744 -26.956 -6.285 1.00 40.32 H new ATOM 0 HB2 LEU A 101 16.077 -27.273 -4.870 1.00 25.44 H new ATOM 0 HB3 LEU A 101 16.252 -27.376 -6.611 1.00 25.44 H new ATOM 0 HG LEU A 101 17.956 -29.155 -4.908 1.00 23.22 H new ATOM 0 HD11 LEU A 101 16.158 -30.835 -4.827 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.736 -29.371 -3.908 1.00 4.34 H new ATOM 0 HD13 LEU A 101 15.024 -29.649 -5.515 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.619 -30.688 -6.809 1.00 22.30 H new ATOM 0 HD22 LEU A 101 16.544 -29.494 -7.575 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.266 -29.116 -7.336 1.00 22.30 H new ATOM 1589 N LEU A 102 17.101 -24.399 -5.076 1.00 30.55 N ATOM 1590 CA LEU A 102 16.673 -23.033 -5.357 1.00 44.41 C ATOM 1591 C LEU A 102 17.867 -22.085 -5.399 1.00 35.10 C ATOM 1592 O LEU A 102 17.752 -20.947 -5.852 1.00 24.35 O ATOM 1593 CB LEU A 102 15.673 -22.564 -4.299 1.00 74.32 C ATOM 1594 CG LEU A 102 14.212 -22.948 -4.538 1.00 21.44 C ATOM 1595 CD1 LEU A 102 14.100 -24.420 -4.903 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.369 -22.635 -3.310 1.00 31.25 C ATOM 0 H LEU A 102 17.020 -24.674 -4.097 1.00 30.55 H new ATOM 0 HA LEU A 102 16.191 -23.024 -6.335 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.980 -22.967 -3.334 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.735 -21.478 -4.226 1.00 74.32 H new ATOM 0 HG LEU A 102 13.834 -22.358 -5.373 1.00 21.44 H new ATOM 0 HD11 LEU A 102 13.053 -24.675 -5.069 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.670 -24.614 -5.812 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.497 -25.028 -4.090 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.333 -22.915 -3.499 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.747 -23.197 -2.456 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.423 -21.568 -3.094 1.00 31.25 H new ATOM 1608 N GLU A 103 19.013 -22.564 -4.925 1.00 43.15 N ATOM 1609 CA GLU A 103 20.229 -21.759 -4.911 1.00 3.21 C ATOM 1610 C GLU A 103 20.597 -21.305 -6.321 1.00 63.23 C ATOM 1611 O GLU A 103 20.765 -20.116 -6.594 1.00 12.34 O ATOM 1612 CB GLU A 103 21.385 -22.553 -4.300 1.00 45.21 C ATOM 1613 CG GLU A 103 21.521 -22.372 -2.798 1.00 43.34 C ATOM 1614 CD GLU A 103 22.806 -22.964 -2.253 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.711 -23.264 -3.059 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.906 -23.127 -1.018 1.00 3.05 O ATOM 0 H GLU A 103 19.125 -23.504 -4.546 1.00 43.15 H new ATOM 0 HA GLU A 103 20.043 -20.875 -4.301 1.00 3.21 H new ATOM 0 HB2 GLU A 103 21.243 -23.611 -4.518 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.316 -22.251 -4.780 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.485 -21.309 -2.559 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.671 -22.839 -2.301 1.00 43.34 H new ATOM 1623 N PRO A 104 20.728 -22.274 -7.239 1.00 1.41 N ATOM 1624 CA PRO A 104 21.078 -22.000 -8.636 1.00 73.13 C ATOM 1625 C PRO A 104 19.950 -21.303 -9.389 1.00 4.23 C ATOM 1626 O PRO A 104 20.139 -20.835 -10.512 1.00 22.01 O ATOM 1627 CB PRO A 104 21.330 -23.393 -9.218 1.00 53.34 C ATOM 1628 CG PRO A 104 20.528 -24.312 -8.363 1.00 15.34 C ATOM 1629 CD PRO A 104 20.543 -23.713 -6.984 1.00 52.44 C ATOM 0 HA PRO A 104 21.932 -21.328 -8.719 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.017 -23.449 -10.261 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.389 -23.649 -9.189 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.509 -24.403 -8.738 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.957 -25.314 -8.358 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.613 -23.910 -6.450 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.352 -24.121 -6.377 1.00 52.44 H new ATOM 1637 N PHE A 105 18.780 -21.237 -8.765 1.00 2.15 N ATOM 1638 CA PHE A 105 17.621 -20.597 -9.377 1.00 32.10 C ATOM 1639 C PHE A 105 17.508 -19.140 -8.937 1.00 31.15 C ATOM 1640 O PHE A 105 16.815 -18.342 -9.568 1.00 64.30 O ATOM 1641 CB PHE A 105 16.342 -21.353 -9.013 1.00 54.33 C ATOM 1642 CG PHE A 105 15.922 -22.357 -10.048 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.820 -23.301 -10.521 1.00 1.41 C ATOM 1644 CD2 PHE A 105 14.630 -22.357 -10.549 1.00 74.43 C ATOM 1645 CE1 PHE A 105 16.436 -24.225 -11.474 1.00 3.32 C ATOM 1646 CE2 PHE A 105 14.241 -23.279 -11.501 1.00 11.53 C ATOM 1647 CZ PHE A 105 15.146 -24.215 -11.964 1.00 12.30 C ATOM 0 H PHE A 105 18.608 -21.619 -7.835 1.00 2.15 H new ATOM 0 HA PHE A 105 17.753 -20.622 -10.459 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.490 -21.864 -8.062 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.535 -20.635 -8.866 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.831 -23.315 -10.141 1.00 1.41 H new ATOM 0 HD2 PHE A 105 13.919 -21.627 -10.191 1.00 74.43 H new ATOM 0 HE1 PHE A 105 17.145 -24.955 -11.835 1.00 3.32 H new ATOM 0 HE2 PHE A 105 13.231 -23.268 -11.883 1.00 11.53 H new ATOM 0 HZ PHE A 105 14.844 -24.937 -12.708 1.00 12.30 H new ATOM 1657 N ILE A 106 18.194 -18.802 -7.850 1.00 24.22 N ATOM 1658 CA ILE A 106 18.171 -17.442 -7.325 1.00 75.54 C ATOM 1659 C ILE A 106 18.592 -16.435 -8.390 1.00 2.34 C ATOM 1660 O ILE A 106 17.931 -15.418 -8.593 1.00 3.54 O ATOM 1661 CB ILE A 106 19.095 -17.296 -6.102 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.453 -17.940 -4.872 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.398 -15.829 -5.840 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.458 -18.419 -3.847 1.00 25.24 C ATOM 0 H ILE A 106 18.772 -19.451 -7.316 1.00 24.22 H new ATOM 0 HA ILE A 106 17.144 -17.238 -7.021 1.00 75.54 H new ATOM 0 HB ILE A 106 20.034 -17.809 -6.310 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.783 -17.220 -4.403 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.841 -18.784 -5.191 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.052 -15.742 -4.972 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.891 -15.398 -6.711 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.468 -15.294 -5.648 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.932 -18.864 -3.002 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.113 -19.163 -4.300 1.00 25.24 H new ATOM 0 HD13 ILE A 106 20.054 -17.575 -3.499 1.00 25.24 H new ATOM 1676 N ALA A 107 19.698 -16.727 -9.068 1.00 3.35 N ATOM 1677 CA ALA A 107 20.206 -15.850 -10.116 1.00 34.20 C ATOM 1678 C ALA A 107 19.124 -15.537 -11.143 1.00 53.41 C ATOM 1679 O ALA A 107 19.060 -14.428 -11.674 1.00 32.33 O ATOM 1680 CB ALA A 107 21.414 -16.480 -10.792 1.00 64.22 C ATOM 0 H ALA A 107 20.259 -17.564 -8.910 1.00 3.35 H new ATOM 0 HA ALA A 107 20.512 -14.912 -9.654 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.783 -15.814 -11.572 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.199 -16.644 -10.054 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.127 -17.434 -11.235 1.00 64.22 H new ATOM 1686 N SER A 108 18.275 -16.523 -11.419 1.00 21.15 N ATOM 1687 CA SER A 108 17.198 -16.354 -12.388 1.00 44.42 C ATOM 1688 C SER A 108 16.380 -15.103 -12.078 1.00 32.13 C ATOM 1689 O SER A 108 15.807 -14.484 -12.976 1.00 64.31 O ATOM 1690 CB SER A 108 16.288 -17.584 -12.390 1.00 55.01 C ATOM 1691 OG SER A 108 15.486 -17.622 -13.558 1.00 5.42 O ATOM 0 H SER A 108 18.312 -17.446 -10.986 1.00 21.15 H new ATOM 0 HA SER A 108 17.645 -16.240 -13.375 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.893 -18.488 -12.331 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.650 -17.570 -11.507 1.00 55.01 H new ATOM 0 HG SER A 108 15.880 -18.243 -14.205 1.00 5.42 H new ATOM 1697 N LEU A 109 16.330 -14.737 -10.802 1.00 35.14 N ATOM 1698 CA LEU A 109 15.583 -13.561 -10.372 1.00 3.21 C ATOM 1699 C LEU A 109 16.385 -12.286 -10.617 1.00 12.12 C ATOM 1700 O LEU A 109 17.570 -12.340 -10.948 1.00 20.34 O ATOM 1701 CB LEU A 109 15.224 -13.673 -8.890 1.00 34.14 C ATOM 1702 CG LEU A 109 14.792 -15.058 -8.407 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.285 -14.991 -6.974 1.00 33.34 C ATOM 1704 CD2 LEU A 109 13.724 -15.634 -9.326 1.00 5.32 C ATOM 0 H LEU A 109 16.798 -15.238 -10.047 1.00 35.14 H new ATOM 0 HA LEU A 109 14.666 -13.510 -10.959 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.087 -13.358 -8.303 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.420 -12.969 -8.677 1.00 34.14 H new ATOM 0 HG LEU A 109 15.660 -15.717 -8.433 1.00 61.52 H new ATOM 0 HD11 LEU A 109 13.982 -15.986 -6.648 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.079 -14.622 -6.324 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.430 -14.317 -6.922 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.428 -16.620 -8.967 1.00 5.32 H new ATOM 0 HD22 LEU A 109 12.856 -14.975 -9.333 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.122 -15.720 -10.337 1.00 5.32 H new ATOM 1716 N LYS A 110 15.732 -11.141 -10.452 1.00 61.55 N ATOM 1717 CA LYS A 110 16.384 -9.853 -10.651 1.00 50.13 C ATOM 1718 C LYS A 110 15.854 -8.816 -9.666 1.00 22.31 C ATOM 1719 O LYS A 110 16.401 -7.717 -9.596 1.00 42.22 O ATOM 1720 CB LYS A 110 16.168 -9.365 -12.086 1.00 44.41 C ATOM 1721 CG LYS A 110 17.445 -9.297 -12.904 1.00 44.45 C ATOM 1722 CD LYS A 110 17.368 -8.217 -13.970 1.00 34.11 C ATOM 1723 CE LYS A 110 18.222 -8.565 -15.180 1.00 5.35 C ATOM 1724 NZ LYS A 110 19.578 -7.957 -15.096 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.751 -11.079 -10.181 1.00 61.55 H new ATOM 0 HA LYS A 110 17.452 -9.984 -10.474 1.00 50.13 H new ATOM 0 HB2 LYS A 110 15.462 -10.030 -12.584 1.00 44.41 H new ATOM 0 HB3 LYS A 110 15.710 -8.376 -12.059 1.00 44.41 H new ATOM 0 HG2 LYS A 110 18.290 -9.099 -12.245 1.00 44.45 H new ATOM 0 HG3 LYS A 110 17.628 -10.263 -13.376 1.00 44.45 H new ATOM 0 HD2 LYS A 110 16.332 -8.085 -14.281 1.00 34.11 H new ATOM 0 HD3 LYS A 110 17.699 -7.267 -13.551 1.00 34.11 H new ATOM 0 HE2 LYS A 110 18.314 -9.648 -15.260 1.00 5.35 H new ATOM 0 HE3 LYS A 110 17.725 -8.220 -16.087 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 20.128 -8.218 -15.939 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 19.492 -6.922 -15.046 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 20.063 -8.306 -14.245 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.479 -27.658 -10.526 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.499 -26.728 -10.703 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.645 -28.613 -11.278 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.358 -27.387 -9.275 1.00 54.31 C HETATM 1743 C3 PLM A 200 12.327 -26.184 -9.551 1.00 13.24 C HETATM 1744 C4 PLM A 200 11.849 -24.822 -8.996 1.00 51.32 C HETATM 1745 C5 PLM A 200 12.297 -24.596 -7.541 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.926 -23.191 -7.031 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.769 -22.087 -7.698 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.574 -20.716 -7.023 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.912 -20.076 -6.600 1.00 71.14 C HETATM 1750 CA PLM A 200 13.924 -19.522 -5.161 1.00 3.31 C HETATM 1751 CB PLM A 200 15.295 -18.888 -4.856 1.00 12.32 C HETATM 1752 CC PLM A 200 15.146 -18.164 -3.367 1.00 52.33 C HETATM 1753 CD PLM A 200 15.408 -19.176 -2.236 1.00 43.24 C HETATM 1754 CE PLM A 200 16.882 -19.619 -2.179 1.00 12.22 C HETATM 1755 CF PLM A 200 17.186 -20.470 -0.932 1.00 51.53 C HETATM 1756 CG PLM A 200 18.051 -21.690 -1.272 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.528 -22.317 -1.994 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.998 -21.358 -1.698 1.00 5.21 H new HETATM 0 HG1 PLM A 200 18.243 -22.264 -0.365 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.698 -19.857 -0.190 1.00 51.53 H new HETATM 0 HF1 PLM A 200 16.251 -20.802 -0.482 1.00 51.53 H new HETATM 0 HE2 PLM A 200 17.122 -20.191 -3.075 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.525 -18.739 -2.181 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.127 -18.731 -1.281 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.773 -20.050 -2.379 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.849 -17.335 -3.289 1.00 52.33 H new HETATM 0 HC1 PLM A 200 14.146 -17.744 -3.261 1.00 52.33 H new HETATM 0 HB2 PLM A 200 16.080 -19.644 -4.845 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.565 -18.158 -5.619 1.00 12.32 H new HETATM 0 HA2 PLM A 200 13.135 -18.779 -5.041 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.718 -20.323 -4.451 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.703 -20.819 -6.697 1.00 71.14 H new HETATM 0 H91 PLM A 200 14.148 -19.266 -7.290 1.00 71.14 H new HETATM 0 H82 PLM A 200 12.054 -20.047 -7.709 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.936 -20.832 -6.147 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.823 -22.363 -7.658 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.499 -22.013 -8.751 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.869 -23.004 -7.223 1.00 53.20 H new HETATM 0 H61 PLM A 200 12.066 -23.150 -5.951 1.00 53.20 H new HETATM 0 H52 PLM A 200 11.836 -25.347 -6.900 1.00 43.34 H new HETATM 0 H51 PLM A 200 13.376 -24.734 -7.469 1.00 43.34 H new HETATM 0 H42 PLM A 200 12.238 -24.020 -9.623 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.762 -24.771 -9.051 1.00 51.32 H new HETATM 0 H32 PLM A 200 13.301 -26.414 -9.119 1.00 13.24 H new HETATM 0 H31 PLM A 200 12.470 -26.091 -10.628 1.00 13.24 H new HETATM 0 H22 PLM A 200 10.724 -27.165 -8.416 1.00 54.31 H new HETATM 0 H21 PLM A 200 11.933 -28.278 -9.025 1.00 54.31 H new HETATM 0 H PLM A 200 9.336 -26.260 -9.858 1.00 23.33 H new