USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 180:sc= -0.0634 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 GLN : amide:sc= -1.82 K(o=-5.3,f=-8.4!) USER MOD Set 2.2: A 32 ASN : amide:sc= -1.22 K(o=-5.3,f=-10!) USER MOD Set 2.3: A 41 GLN : amide:sc= -2.27 K(o=-5.3,f=-11!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc=-0.00636 (180deg=-0.00636) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.574 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.105 (180deg=-0.843) USER MOD Single : A 53 GLN : amide:sc= -0.736 K(o=-0.74,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.949 USER MOD Single : A 70 MET CE :methyl 167:sc= -2.38 (180deg=-2.82!) USER MOD Single : A 74 SER OG : rot 100:sc= -0.471 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0115) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.926 -2.441 -0.104 1.00 23.13 N ATOM 19 CA SER A 2 4.719 -3.663 -0.144 1.00 70.22 C ATOM 20 C SER A 2 4.195 -4.616 -1.214 1.00 60.42 C ATOM 21 O SER A 2 3.279 -4.282 -1.965 1.00 33.03 O ATOM 22 CB SER A 2 4.701 -4.353 1.222 1.00 14.01 C ATOM 23 OG SER A 2 5.865 -5.139 1.411 1.00 44.23 O ATOM 0 HA SER A 2 5.745 -3.393 -0.393 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.632 -3.604 2.011 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.815 -4.983 1.303 1.00 14.01 H new ATOM 0 HG SER A 2 5.831 -5.568 2.291 1.00 44.23 H new ATOM 29 N VAL A 3 4.782 -5.807 -1.276 1.00 5.10 N ATOM 30 CA VAL A 3 4.376 -6.810 -2.253 1.00 74.43 C ATOM 31 C VAL A 3 2.864 -7.010 -2.238 1.00 53.33 C ATOM 32 O VAL A 3 2.252 -7.268 -3.275 1.00 14.34 O ATOM 33 CB VAL A 3 5.064 -8.163 -1.989 1.00 11.31 C ATOM 34 CG1 VAL A 3 6.558 -7.970 -1.780 1.00 62.02 C ATOM 35 CG2 VAL A 3 4.434 -8.854 -0.789 1.00 71.40 C ATOM 0 H VAL A 3 5.541 -6.101 -0.661 1.00 5.10 H new ATOM 0 HA VAL A 3 4.682 -6.441 -3.232 1.00 74.43 H new ATOM 0 HB VAL A 3 4.923 -8.800 -2.862 1.00 11.31 H new ATOM 0 HG11 VAL A 3 7.027 -8.936 -1.595 1.00 62.02 H new ATOM 0 HG12 VAL A 3 6.995 -7.519 -2.671 1.00 62.02 H new ATOM 0 HG13 VAL A 3 6.724 -7.316 -0.924 1.00 62.02 H new ATOM 0 HG21 VAL A 3 4.931 -9.808 -0.616 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.543 -8.223 0.093 1.00 71.40 H new ATOM 0 HG23 VAL A 3 3.375 -9.027 -0.983 1.00 71.40 H new ATOM 45 N GLU A 4 2.268 -6.889 -1.057 1.00 43.03 N ATOM 46 CA GLU A 4 0.828 -7.057 -0.908 1.00 11.43 C ATOM 47 C GLU A 4 0.073 -6.210 -1.928 1.00 22.33 C ATOM 48 O GLU A 4 -0.944 -6.637 -2.477 1.00 35.51 O ATOM 49 CB GLU A 4 0.391 -6.677 0.510 1.00 73.40 C ATOM 50 CG GLU A 4 -1.117 -6.619 0.686 1.00 34.13 C ATOM 51 CD GLU A 4 -1.524 -6.291 2.110 1.00 73.21 C ATOM 52 OE1 GLU A 4 -0.650 -6.332 3.001 1.00 60.22 O ATOM 53 OE2 GLU A 4 -2.716 -5.994 2.333 1.00 42.52 O1- ATOM 0 H GLU A 4 2.760 -6.675 -0.189 1.00 43.03 H new ATOM 0 HA GLU A 4 0.591 -8.106 -1.085 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.803 -7.400 1.214 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.816 -5.706 0.764 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.530 -5.868 0.012 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.550 -7.577 0.399 1.00 34.13 H new ATOM 60 N THR A 5 0.577 -5.005 -2.177 1.00 74.04 N ATOM 61 CA THR A 5 -0.049 -4.097 -3.129 1.00 61.14 C ATOM 62 C THR A 5 0.364 -4.428 -4.558 1.00 11.11 C ATOM 63 O THR A 5 -0.384 -4.177 -5.505 1.00 53.10 O ATOM 64 CB THR A 5 0.314 -2.630 -2.829 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.131 -2.275 -1.515 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.312 -1.697 -3.854 1.00 71.31 C ATOM 0 H THR A 5 1.417 -4.636 -1.732 1.00 74.04 H new ATOM 0 HA THR A 5 -1.126 -4.226 -3.026 1.00 61.14 H new ATOM 0 HB THR A 5 1.398 -2.527 -2.884 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.105 -1.342 -1.331 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.042 -0.667 -3.621 1.00 71.31 H new ATOM 0 HG22 THR A 5 0.053 -1.952 -4.849 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.397 -1.802 -3.827 1.00 71.31 H new ATOM 74 N ILE A 6 1.556 -4.994 -4.709 1.00 14.44 N ATOM 75 CA ILE A 6 2.066 -5.362 -6.024 1.00 13.03 C ATOM 76 C ILE A 6 1.382 -6.619 -6.548 1.00 73.35 C ATOM 77 O ILE A 6 0.799 -6.614 -7.632 1.00 33.51 O ATOM 78 CB ILE A 6 3.588 -5.596 -5.992 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.264 -4.577 -5.071 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.167 -5.512 -7.397 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.889 -3.144 -5.377 1.00 64.21 C ATOM 0 H ILE A 6 2.187 -5.208 -3.937 1.00 14.44 H new ATOM 0 HA ILE A 6 1.848 -4.528 -6.691 1.00 13.03 H new ATOM 0 HB ILE A 6 3.778 -6.595 -5.600 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.998 -4.801 -4.038 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.345 -4.687 -5.153 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.243 -5.680 -7.358 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.704 -6.272 -8.027 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.969 -4.525 -7.814 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.405 -2.477 -4.686 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.180 -2.902 -6.399 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.812 -3.018 -5.267 1.00 64.21 H new ATOM 93 N ILE A 7 1.455 -7.694 -5.770 1.00 51.41 N ATOM 94 CA ILE A 7 0.839 -8.958 -6.155 1.00 0.02 C ATOM 95 C ILE A 7 -0.672 -8.812 -6.296 1.00 53.31 C ATOM 96 O ILE A 7 -1.307 -9.543 -7.056 1.00 54.10 O ATOM 97 CB ILE A 7 1.144 -10.067 -5.130 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.638 -10.392 -5.128 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.325 -11.312 -5.438 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.147 -10.905 -6.457 1.00 52.51 C ATOM 0 H ILE A 7 1.934 -7.715 -4.870 1.00 51.41 H new ATOM 0 HA ILE A 7 1.266 -9.238 -7.118 1.00 0.02 H new ATOM 0 HB ILE A 7 0.868 -9.711 -4.137 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.196 -9.496 -4.856 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.838 -11.138 -4.359 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.551 -12.087 -4.705 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.737 -11.069 -5.393 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.573 -11.673 -6.436 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.214 -11.115 -6.382 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.615 -11.819 -6.722 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.979 -10.151 -7.226 1.00 52.51 H new ATOM 112 N GLU A 8 -1.242 -7.863 -5.559 1.00 35.43 N ATOM 113 CA GLU A 8 -2.679 -7.623 -5.603 1.00 71.25 C ATOM 114 C GLU A 8 -3.130 -7.281 -7.020 1.00 71.52 C ATOM 115 O GLU A 8 -4.212 -7.680 -7.452 1.00 32.54 O ATOM 116 CB GLU A 8 -3.057 -6.488 -4.648 1.00 71.25 C ATOM 117 CG GLU A 8 -3.684 -6.969 -3.350 1.00 15.12 C ATOM 118 CD GLU A 8 -5.188 -7.126 -3.451 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.820 -6.332 -4.178 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.734 -8.044 -2.803 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.731 -7.249 -4.925 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.185 -8.536 -5.290 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.165 -5.906 -4.417 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.753 -5.817 -5.152 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.241 -7.925 -3.069 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.449 -6.263 -2.554 1.00 15.12 H new ATOM 127 N ARG A 9 -2.292 -6.540 -7.738 1.00 14.15 N ATOM 128 CA ARG A 9 -2.605 -6.143 -9.106 1.00 33.34 C ATOM 129 C ARG A 9 -2.548 -7.343 -10.047 1.00 22.34 C ATOM 130 O ARG A 9 -3.318 -7.430 -11.005 1.00 52.23 O ATOM 131 CB ARG A 9 -1.631 -5.062 -9.581 1.00 41.22 C ATOM 132 CG ARG A 9 -1.315 -4.018 -8.522 1.00 63.41 C ATOM 133 CD ARG A 9 -2.584 -3.433 -7.921 1.00 44.44 C ATOM 134 NE ARG A 9 -3.439 -2.823 -8.936 1.00 1.20 N ATOM 135 CZ ARG A 9 -4.691 -2.443 -8.710 1.00 43.43 C ATOM 136 NH1 ARG A 9 -5.233 -2.610 -7.511 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -5.405 -1.894 -9.684 1.00 51.24 N ATOM 0 H ARG A 9 -1.392 -6.203 -7.396 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.618 -5.741 -9.119 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.703 -5.536 -9.900 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -2.052 -4.565 -10.455 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -0.712 -4.469 -7.734 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -0.718 -3.220 -8.963 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.137 -4.219 -7.406 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -2.320 -2.686 -7.173 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.053 -2.681 -9.870 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -4.688 -3.031 -6.759 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -6.195 -2.317 -7.341 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -4.992 -1.763 -10.608 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -6.367 -1.602 -9.509 1.00 51.24 H new ATOM 151 N ILE A 10 -1.632 -8.264 -9.769 1.00 40.41 N ATOM 152 CA ILE A 10 -1.476 -9.458 -10.590 1.00 14.34 C ATOM 153 C ILE A 10 -2.653 -10.410 -10.405 1.00 62.03 C ATOM 154 O ILE A 10 -3.327 -10.778 -11.367 1.00 74.00 O ATOM 155 CB ILE A 10 -0.170 -10.203 -10.257 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.040 -9.326 -10.582 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.100 -11.516 -11.021 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.269 -9.666 -9.769 1.00 13.02 C ATOM 0 H ILE A 10 -0.986 -8.206 -8.981 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.441 -9.125 -11.627 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.158 -10.425 -9.190 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.276 -9.425 -11.641 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.778 -8.282 -10.410 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.829 -12.031 -10.775 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.947 -12.144 -10.744 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.131 -11.316 -12.092 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.087 -9.004 -10.053 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.050 -9.539 -8.709 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.556 -10.700 -9.959 1.00 13.02 H new ATOM 170 N LYS A 11 -2.896 -10.806 -9.159 1.00 61.13 N ATOM 171 CA LYS A 11 -3.994 -11.713 -8.845 1.00 50.23 C ATOM 172 C LYS A 11 -5.282 -11.266 -9.528 1.00 62.52 C ATOM 173 O LYS A 11 -6.093 -12.092 -9.945 1.00 43.22 O ATOM 174 CB LYS A 11 -4.205 -11.785 -7.330 1.00 4.34 C ATOM 175 CG LYS A 11 -4.443 -10.431 -6.685 1.00 75.22 C ATOM 176 CD LYS A 11 -4.774 -10.568 -5.208 1.00 21.30 C ATOM 177 CE LYS A 11 -3.569 -11.040 -4.409 1.00 45.52 C ATOM 178 NZ LYS A 11 -3.867 -11.121 -2.951 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.347 -10.513 -8.351 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.732 -12.703 -9.217 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.056 -12.433 -7.120 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.331 -12.248 -6.871 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.556 -9.809 -6.804 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -5.260 -9.922 -7.196 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.116 -9.609 -4.820 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -5.595 -11.274 -5.082 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -3.255 -12.019 -4.770 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -2.735 -10.357 -4.572 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -3.021 -11.446 -2.441 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -4.143 -10.182 -2.600 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -4.646 -11.792 -2.793 1.00 13.21 H new ATOM 192 N ALA A 12 -5.463 -9.953 -9.639 1.00 55.14 N ATOM 193 CA ALA A 12 -6.651 -9.398 -10.276 1.00 34.34 C ATOM 194 C ALA A 12 -6.601 -9.583 -11.788 1.00 55.24 C ATOM 195 O ALA A 12 -7.572 -10.030 -12.401 1.00 10.40 O ATOM 196 CB ALA A 12 -6.795 -7.924 -9.926 1.00 45.33 C ATOM 0 H ALA A 12 -4.803 -9.255 -9.296 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.521 -9.937 -9.900 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.686 -7.521 -10.408 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.885 -7.814 -8.845 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.917 -7.380 -10.274 1.00 45.33 H new ATOM 202 N ARG A 13 -5.466 -9.235 -12.386 1.00 1.42 N ATOM 203 CA ARG A 13 -5.291 -9.360 -13.827 1.00 42.34 C ATOM 204 C ARG A 13 -5.378 -10.821 -14.259 1.00 75.41 C ATOM 205 O ARG A 13 -6.153 -11.171 -15.150 1.00 71.34 O ATOM 206 CB ARG A 13 -3.945 -8.772 -14.252 1.00 55.21 C ATOM 207 CG ARG A 13 -3.693 -8.848 -15.749 1.00 12.20 C ATOM 208 CD ARG A 13 -2.944 -10.117 -16.124 1.00 25.52 C ATOM 209 NE ARG A 13 -2.480 -10.090 -17.509 1.00 14.11 N ATOM 210 CZ ARG A 13 -1.505 -9.297 -17.942 1.00 35.11 C ATOM 211 NH1 ARG A 13 -0.896 -8.471 -17.102 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -1.139 -9.330 -19.216 1.00 54.31 N ATOM 0 H ARG A 13 -4.653 -8.864 -11.894 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.092 -8.805 -14.315 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.897 -7.730 -13.937 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.147 -9.300 -13.730 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -4.644 -8.815 -16.281 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.119 -7.978 -16.067 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -2.090 -10.244 -15.458 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -3.595 -10.979 -15.976 1.00 25.52 H new ATOM 0 HE ARG A 13 -2.929 -10.713 -18.180 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -1.175 -8.443 -16.121 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -0.148 -7.863 -17.437 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -1.606 -9.964 -19.864 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -0.391 -8.721 -19.548 1.00 54.31 H new ATOM 226 N VAL A 14 -4.578 -11.671 -13.623 1.00 22.42 N ATOM 227 CA VAL A 14 -4.564 -13.093 -13.942 1.00 65.13 C ATOM 228 C VAL A 14 -5.975 -13.673 -13.927 1.00 11.41 C ATOM 229 O VAL A 14 -6.361 -14.417 -14.828 1.00 11.41 O ATOM 230 CB VAL A 14 -3.687 -13.882 -12.951 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.212 -13.641 -13.235 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.031 -13.505 -11.518 1.00 61.14 C ATOM 0 H VAL A 14 -3.931 -11.399 -12.883 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.144 -13.189 -14.943 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.889 -14.945 -13.081 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.608 -14.206 -12.525 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -1.979 -13.965 -14.249 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -1.991 -12.578 -13.134 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.402 -14.072 -10.832 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -3.859 -12.439 -11.371 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.079 -13.734 -11.323 1.00 61.14 H new ATOM 242 N GLY A 15 -6.741 -13.326 -12.897 1.00 21.44 N ATOM 243 CA GLY A 15 -8.101 -13.820 -12.785 1.00 52.30 C ATOM 244 C GLY A 15 -9.066 -13.070 -13.682 1.00 73.25 C ATOM 245 O GLY A 15 -10.264 -13.353 -13.689 1.00 42.21 O ATOM 0 H GLY A 15 -6.444 -12.712 -12.139 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.122 -14.880 -13.040 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.431 -13.735 -11.750 1.00 52.30 H new ATOM 249 N ALA A 16 -8.545 -12.111 -14.439 1.00 11.20 N ATOM 250 CA ALA A 16 -9.368 -11.319 -15.344 1.00 51.25 C ATOM 251 C ALA A 16 -8.941 -11.521 -16.794 1.00 3.23 C ATOM 252 O ALA A 16 -9.500 -10.912 -17.707 1.00 4.14 O ATOM 253 CB ALA A 16 -9.297 -9.846 -14.970 1.00 14.21 C ATOM 0 H ALA A 16 -7.556 -11.863 -14.444 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.400 -11.657 -15.247 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.917 -9.267 -15.654 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.659 -9.712 -13.951 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.264 -9.503 -15.036 1.00 14.21 H new ATOM 259 N VAL A 17 -7.947 -12.379 -16.999 1.00 61.40 N ATOM 260 CA VAL A 17 -7.445 -12.660 -18.339 1.00 25.41 C ATOM 261 C VAL A 17 -8.584 -13.006 -19.292 1.00 62.03 C ATOM 262 O VAL A 17 -9.461 -13.806 -18.963 1.00 65.32 O ATOM 263 CB VAL A 17 -6.431 -13.821 -18.326 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.214 -14.356 -19.732 1.00 42.13 C ATOM 265 CG2 VAL A 17 -5.116 -13.371 -17.709 1.00 53.34 C ATOM 0 H VAL A 17 -7.474 -12.891 -16.255 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.947 -11.755 -18.687 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.836 -14.628 -17.715 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.495 -15.175 -19.703 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.160 -14.718 -20.134 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.831 -13.559 -20.369 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.411 -14.203 -17.708 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.704 -12.547 -18.292 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.289 -13.040 -16.685 1.00 53.34 H new ATOM 275 N ASP A 18 -8.564 -12.399 -20.473 1.00 53.03 N ATOM 276 CA ASP A 18 -9.595 -12.643 -21.475 1.00 53.12 C ATOM 277 C ASP A 18 -9.074 -13.561 -22.578 1.00 33.02 C ATOM 278 O ASP A 18 -7.899 -13.526 -22.943 1.00 11.13 O ATOM 279 CB ASP A 18 -10.073 -11.322 -22.078 1.00 41.05 C ATOM 280 CG ASP A 18 -11.106 -10.630 -21.211 1.00 3.44 C ATOM 281 OD1 ASP A 18 -10.807 -10.367 -20.027 1.00 41.35 O ATOM 282 OD2 ASP A 18 -12.214 -10.351 -21.715 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.845 -11.734 -20.760 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.435 -13.134 -20.984 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.219 -10.660 -22.219 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.497 -11.509 -23.065 1.00 41.05 H new ATOM 287 N PRO A 19 -9.967 -14.402 -23.119 1.00 61.33 N ATOM 288 CA PRO A 19 -9.622 -15.345 -24.186 1.00 24.45 C ATOM 289 C PRO A 19 -9.334 -14.642 -25.509 1.00 52.45 C ATOM 290 O PRO A 19 -8.850 -15.259 -26.457 1.00 60.01 O ATOM 291 CB PRO A 19 -10.871 -16.220 -24.306 1.00 44.51 C ATOM 292 CG PRO A 19 -11.982 -15.364 -23.804 1.00 61.04 C ATOM 293 CD PRO A 19 -11.385 -14.496 -22.730 1.00 65.12 C ATOM 0 HA PRO A 19 -8.715 -15.905 -23.958 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -11.042 -16.526 -25.338 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.775 -17.131 -23.715 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.401 -14.758 -24.607 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.794 -15.973 -23.407 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.859 -13.515 -22.696 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.502 -14.941 -21.742 1.00 65.12 H new ATOM 301 N ASN A 20 -9.637 -13.350 -25.566 1.00 14.21 N ATOM 302 CA ASN A 20 -9.411 -12.564 -26.774 1.00 51.20 C ATOM 303 C ASN A 20 -7.935 -12.208 -26.923 1.00 32.21 C ATOM 304 O ASN A 20 -7.411 -12.142 -28.033 1.00 25.02 O ATOM 305 CB ASN A 20 -10.254 -11.287 -26.741 1.00 64.43 C ATOM 306 CG ASN A 20 -11.431 -11.348 -27.695 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.512 -10.574 -28.649 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.352 -12.270 -27.439 1.00 52.44 N ATOM 0 H ASN A 20 -10.040 -12.824 -24.790 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.709 -13.167 -27.631 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.619 -11.122 -25.727 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.626 -10.433 -26.997 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.168 -12.358 -28.045 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.243 -12.890 -26.637 1.00 52.44 H new ATOM 315 N GLY A 21 -7.269 -11.981 -25.794 1.00 50.52 N ATOM 316 CA GLY A 21 -5.860 -11.636 -25.822 1.00 62.51 C ATOM 317 C GLY A 21 -4.965 -12.856 -25.931 1.00 11.23 C ATOM 318 O GLY A 21 -4.643 -13.319 -27.026 1.00 25.24 O ATOM 0 H GLY A 21 -7.680 -12.030 -24.862 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.668 -10.972 -26.665 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.607 -11.083 -24.917 1.00 62.51 H new ATOM 322 N PRO A 22 -4.549 -13.394 -24.776 1.00 62.45 N ATOM 323 CA PRO A 22 -3.680 -14.574 -24.720 1.00 23.24 C ATOM 324 C PRO A 22 -4.397 -15.843 -25.167 1.00 51.52 C ATOM 325 O PRO A 22 -5.484 -15.784 -25.742 1.00 44.23 O ATOM 326 CB PRO A 22 -3.302 -14.667 -23.241 1.00 44.15 C ATOM 327 CG PRO A 22 -4.417 -13.989 -22.521 1.00 54.42 C ATOM 328 CD PRO A 22 -4.894 -12.894 -23.434 1.00 52.42 C ATOM 0 HA PRO A 22 -2.823 -14.481 -25.388 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -3.199 -15.705 -22.923 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.348 -14.177 -23.045 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.222 -14.690 -22.299 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -4.077 -13.582 -21.569 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.966 -12.724 -23.332 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.399 -11.947 -23.219 1.00 52.42 H new ATOM 336 N ARG A 23 -3.782 -16.990 -24.898 1.00 3.14 N ATOM 337 CA ARG A 23 -4.361 -18.274 -25.275 1.00 53.14 C ATOM 338 C ARG A 23 -3.966 -19.361 -24.279 1.00 53.31 C ATOM 339 O ARG A 23 -3.066 -19.172 -23.460 1.00 11.32 O ATOM 340 CB ARG A 23 -3.912 -18.669 -26.682 1.00 65.52 C ATOM 341 CG ARG A 23 -4.549 -17.835 -27.781 1.00 43.32 C ATOM 342 CD ARG A 23 -6.067 -17.919 -27.735 1.00 4.23 C ATOM 343 NE ARG A 23 -6.630 -18.346 -29.013 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.918 -18.239 -29.320 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.771 -17.720 -28.448 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -8.355 -18.651 -30.504 1.00 32.33 N ATOM 0 H ARG A 23 -2.883 -17.056 -24.421 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.446 -18.171 -25.264 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.828 -18.575 -26.748 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -4.152 -19.719 -26.849 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -4.238 -16.796 -27.677 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -4.194 -18.179 -28.752 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.368 -18.618 -26.955 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.476 -16.945 -27.466 1.00 4.23 H new ATOM 0 HE ARG A 23 -6.000 -18.748 -29.707 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -8.439 -17.401 -27.538 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -9.759 -17.639 -28.687 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.702 -19.050 -31.178 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -9.344 -18.569 -30.739 1.00 32.33 H new ATOM 360 N LYS A 24 -4.646 -20.500 -24.354 1.00 71.13 N ATOM 361 CA LYS A 24 -4.366 -21.618 -23.461 1.00 41.04 C ATOM 362 C LYS A 24 -2.870 -21.911 -23.407 1.00 22.22 C ATOM 363 O LYS A 24 -2.309 -22.497 -24.334 1.00 21.24 O ATOM 364 CB LYS A 24 -5.125 -22.866 -23.920 1.00 44.53 C ATOM 365 CG LYS A 24 -6.519 -22.982 -23.327 1.00 62.53 C ATOM 366 CD LYS A 24 -7.464 -23.717 -24.264 1.00 63.55 C ATOM 367 CE LYS A 24 -8.171 -24.862 -23.557 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.984 -25.679 -24.501 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.395 -20.673 -25.024 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.700 -21.344 -22.460 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.201 -22.855 -25.007 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.549 -23.751 -23.650 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.467 -23.509 -22.374 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.912 -21.986 -23.120 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.203 -23.019 -24.658 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -6.905 -24.104 -25.116 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -7.433 -25.498 -23.069 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.816 -24.463 -22.774 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -9.450 -26.449 -23.981 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.705 -25.078 -24.948 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -8.365 -26.081 -25.234 1.00 63.14 H new ATOM 382 N VAL A 25 -2.230 -21.502 -22.316 1.00 32.25 N ATOM 383 CA VAL A 25 -0.800 -21.724 -22.141 1.00 72.11 C ATOM 384 C VAL A 25 -0.535 -22.805 -21.098 1.00 51.12 C ATOM 385 O VAL A 25 -1.456 -23.284 -20.437 1.00 43.45 O ATOM 386 CB VAL A 25 -0.080 -20.430 -21.718 1.00 34.14 C ATOM 387 CG1 VAL A 25 -0.031 -19.443 -22.874 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.764 -19.811 -20.507 1.00 3.14 C ATOM 0 H VAL A 25 -2.679 -21.015 -21.540 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.409 -22.050 -23.105 1.00 72.11 H new ATOM 0 HB VAL A 25 0.944 -20.679 -21.441 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.481 -18.535 -22.556 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.507 -19.889 -23.711 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -1.046 -19.197 -23.185 1.00 11.11 H new ATOM 0 HG21 VAL A 25 -0.242 -18.898 -20.222 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.799 -19.575 -20.755 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.741 -20.516 -19.676 1.00 3.14 H new ATOM 398 N LEU A 26 0.731 -23.183 -20.957 1.00 52.13 N ATOM 399 CA LEU A 26 1.119 -24.209 -19.994 1.00 53.31 C ATOM 400 C LEU A 26 2.438 -23.848 -19.318 1.00 41.52 C ATOM 401 O LEU A 26 3.368 -23.369 -19.966 1.00 23.31 O ATOM 402 CB LEU A 26 1.241 -25.566 -20.686 1.00 34.22 C ATOM 403 CG LEU A 26 -0.066 -26.192 -21.173 1.00 5.53 C ATOM 404 CD1 LEU A 26 -0.094 -26.258 -22.692 1.00 50.53 C ATOM 405 CD2 LEU A 26 -0.250 -27.579 -20.574 1.00 1.25 C ATOM 0 H LEU A 26 1.505 -22.795 -21.496 1.00 52.13 H new ATOM 0 HA LEU A 26 0.344 -24.268 -19.230 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.908 -25.457 -21.541 1.00 34.22 H new ATOM 0 HB3 LEU A 26 1.718 -26.262 -19.996 1.00 34.22 H new ATOM 0 HG LEU A 26 -0.892 -25.563 -20.842 1.00 5.53 H new ATOM 0 HD11 LEU A 26 -1.032 -26.706 -23.019 1.00 50.53 H new ATOM 0 HD12 LEU A 26 -0.011 -25.251 -23.102 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.741 -26.864 -23.045 1.00 50.53 H new ATOM 0 HD21 LEU A 26 -1.186 -28.009 -20.932 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.581 -28.218 -20.874 1.00 1.25 H new ATOM 0 HD23 LEU A 26 -0.277 -27.505 -19.487 1.00 1.25 H new ATOM 417 N GLY A 27 2.512 -24.086 -18.012 1.00 11.13 N ATOM 418 CA GLY A 27 3.723 -23.783 -17.271 1.00 74.50 C ATOM 419 C GLY A 27 3.441 -23.046 -15.977 1.00 72.22 C ATOM 420 O GLY A 27 2.284 -22.844 -15.608 1.00 33.15 O ATOM 0 H GLY A 27 1.756 -24.483 -17.454 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.252 -24.710 -17.050 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.384 -23.180 -17.893 1.00 74.50 H new ATOM 424 N VAL A 28 4.501 -22.644 -15.284 1.00 0.31 N ATOM 425 CA VAL A 28 4.363 -21.925 -14.023 1.00 11.43 C ATOM 426 C VAL A 28 5.476 -20.899 -13.848 1.00 12.21 C ATOM 427 O VAL A 28 6.566 -21.050 -14.402 1.00 72.43 O ATOM 428 CB VAL A 28 4.377 -22.890 -12.822 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.659 -22.272 -11.631 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.748 -24.222 -13.202 1.00 65.50 C ATOM 0 H VAL A 28 5.466 -22.804 -15.575 1.00 0.31 H new ATOM 0 HA VAL A 28 3.402 -21.411 -14.057 1.00 11.43 H new ATOM 0 HB VAL A 28 5.413 -23.072 -12.536 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.679 -22.968 -10.793 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.158 -21.346 -11.346 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.625 -22.059 -11.900 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.766 -24.891 -12.342 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.716 -24.061 -13.515 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.310 -24.669 -14.022 1.00 65.50 H new ATOM 440 N PHE A 29 5.196 -19.854 -13.077 1.00 21.24 N ATOM 441 CA PHE A 29 6.174 -18.801 -12.831 1.00 24.31 C ATOM 442 C PHE A 29 6.488 -18.688 -11.341 1.00 74.32 C ATOM 443 O PHE A 29 5.627 -18.932 -10.495 1.00 14.41 O ATOM 444 CB PHE A 29 5.658 -17.462 -13.358 1.00 62.43 C ATOM 445 CG PHE A 29 5.519 -17.420 -14.853 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.415 -16.825 -15.444 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.492 -17.975 -15.668 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.285 -16.785 -16.819 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.366 -17.937 -17.044 1.00 64.12 C ATOM 450 CZ PHE A 29 5.261 -17.343 -17.620 1.00 52.54 C ATOM 0 H PHE A 29 4.299 -19.714 -12.611 1.00 21.24 H new ATOM 0 HA PHE A 29 7.091 -19.061 -13.359 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.689 -17.251 -12.905 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.337 -16.670 -13.042 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.648 -16.388 -14.822 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.358 -18.442 -15.224 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.420 -16.318 -17.267 1.00 43.11 H new ATOM 0 HE2 PHE A 29 7.132 -18.372 -17.669 1.00 64.12 H new ATOM 0 HZ PHE A 29 5.160 -17.315 -18.695 1.00 52.54 H new ATOM 460 N GLN A 30 7.725 -18.314 -11.029 1.00 73.10 N ATOM 461 CA GLN A 30 8.151 -18.169 -9.642 1.00 2.03 C ATOM 462 C GLN A 30 8.716 -16.775 -9.390 1.00 32.14 C ATOM 463 O GLN A 30 9.879 -16.501 -9.691 1.00 10.04 O ATOM 464 CB GLN A 30 9.199 -19.228 -9.296 1.00 11.10 C ATOM 465 CG GLN A 30 9.476 -19.346 -7.806 1.00 21.52 C ATOM 466 CD GLN A 30 8.206 -19.420 -6.981 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.226 -20.046 -7.385 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.217 -18.780 -5.817 1.00 1.20 N ATOM 0 H GLN A 30 8.449 -18.106 -11.717 1.00 73.10 H new ATOM 0 HA GLN A 30 7.279 -18.309 -9.003 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.865 -20.195 -9.673 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.129 -18.989 -9.812 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.077 -20.236 -7.621 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.067 -18.489 -7.481 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.051 -18.273 -5.521 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.391 -18.795 -5.219 1.00 1.20 H new ATOM 477 N LEU A 31 7.887 -15.898 -8.836 1.00 65.02 N ATOM 478 CA LEU A 31 8.303 -14.531 -8.543 1.00 54.50 C ATOM 479 C LEU A 31 8.926 -14.438 -7.153 1.00 53.24 C ATOM 480 O LEU A 31 8.353 -14.910 -6.173 1.00 13.04 O ATOM 481 CB LEU A 31 7.109 -13.581 -8.643 1.00 52.25 C ATOM 482 CG LEU A 31 7.288 -12.208 -7.993 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.432 -11.451 -8.649 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.997 -11.406 -8.078 1.00 64.43 C ATOM 0 H LEU A 31 6.922 -16.109 -8.580 1.00 65.02 H new ATOM 0 HA LEU A 31 9.053 -14.240 -9.278 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.874 -13.434 -9.697 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.245 -14.066 -8.189 1.00 52.25 H new ATOM 0 HG LEU A 31 7.533 -12.355 -6.941 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.544 -10.477 -8.173 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.356 -12.018 -8.536 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.218 -11.315 -9.709 1.00 62.41 H new ATOM 0 HD21 LEU A 31 6.142 -10.432 -7.611 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.722 -11.269 -9.124 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.201 -11.942 -7.560 1.00 64.43 H new ATOM 496 N ASN A 32 10.103 -13.824 -7.078 1.00 55.44 N ATOM 497 CA ASN A 32 10.804 -13.667 -5.809 1.00 63.23 C ATOM 498 C ASN A 32 11.169 -12.205 -5.566 1.00 53.21 C ATOM 499 O ASN A 32 12.027 -11.648 -6.250 1.00 30.12 O ATOM 500 CB ASN A 32 12.067 -14.530 -5.790 1.00 15.22 C ATOM 501 CG ASN A 32 11.785 -15.976 -6.147 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.698 -16.838 -5.273 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.641 -16.249 -7.439 1.00 41.33 N ATOM 0 H ASN A 32 10.591 -13.427 -7.881 1.00 55.44 H new ATOM 0 HA ASN A 32 10.137 -13.994 -5.011 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.794 -14.121 -6.492 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.520 -14.485 -4.799 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.450 -17.205 -7.740 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.721 -15.503 -8.130 1.00 41.33 H new ATOM 510 N ILE A 33 10.511 -11.592 -4.588 1.00 31.21 N ATOM 511 CA ILE A 33 10.767 -10.197 -4.254 1.00 31.14 C ATOM 512 C ILE A 33 11.689 -10.081 -3.044 1.00 52.44 C ATOM 513 O ILE A 33 11.489 -10.750 -2.030 1.00 11.10 O ATOM 514 CB ILE A 33 9.460 -9.438 -3.962 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.473 -9.617 -5.118 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.745 -7.961 -3.728 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.506 -10.763 -4.914 1.00 72.22 C ATOM 0 H ILE A 33 9.797 -12.039 -4.013 1.00 31.21 H new ATOM 0 HA ILE A 33 11.251 -9.750 -5.122 1.00 31.14 H new ATOM 0 HB ILE A 33 9.013 -9.850 -3.057 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.908 -8.694 -5.249 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.031 -9.783 -6.040 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.811 -7.438 -3.523 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.417 -7.850 -2.877 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.211 -7.535 -4.616 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.836 -10.831 -5.771 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.062 -11.695 -4.813 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.922 -10.590 -4.010 1.00 72.22 H new ATOM 529 N LYS A 34 12.701 -9.227 -3.157 1.00 22.24 N ATOM 530 CA LYS A 34 13.652 -9.019 -2.072 1.00 23.21 C ATOM 531 C LYS A 34 13.012 -8.242 -0.927 1.00 44.34 C ATOM 532 O LYS A 34 12.072 -7.473 -1.132 1.00 15.11 O ATOM 533 CB LYS A 34 14.885 -8.271 -2.584 1.00 53.34 C ATOM 534 CG LYS A 34 15.928 -9.176 -3.215 1.00 41.43 C ATOM 535 CD LYS A 34 16.266 -8.737 -4.630 1.00 33.21 C ATOM 536 CE LYS A 34 16.783 -7.308 -4.661 1.00 40.23 C ATOM 537 NZ LYS A 34 17.287 -6.929 -6.010 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.883 -8.667 -3.990 1.00 22.24 H new ATOM 0 HA LYS A 34 13.956 -9.996 -1.698 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.570 -7.528 -3.317 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.340 -7.729 -1.755 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.832 -9.171 -2.606 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.560 -10.202 -3.230 1.00 41.43 H new ATOM 0 HD2 LYS A 34 17.017 -9.406 -5.050 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.379 -8.818 -5.259 1.00 33.21 H new ATOM 0 HE2 LYS A 34 15.985 -6.627 -4.367 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.583 -7.196 -3.930 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 17.631 -5.948 -5.989 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 18.066 -7.563 -6.280 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 16.517 -7.012 -6.704 1.00 30.42 H new ATOM 551 N THR A 35 13.525 -8.448 0.282 1.00 41.14 N ATOM 552 CA THR A 35 13.004 -7.766 1.460 1.00 62.04 C ATOM 553 C THR A 35 14.121 -7.435 2.443 1.00 21.21 C ATOM 554 O THR A 35 15.269 -7.833 2.250 1.00 42.41 O ATOM 555 CB THR A 35 11.940 -8.620 2.177 1.00 73.14 C ATOM 556 OG1 THR A 35 12.575 -9.612 2.991 1.00 74.33 O ATOM 557 CG2 THR A 35 11.019 -9.294 1.172 1.00 21.11 C ATOM 0 H THR A 35 14.301 -9.082 0.471 1.00 41.14 H new ATOM 0 HA THR A 35 12.544 -6.841 1.113 1.00 62.04 H new ATOM 0 HB THR A 35 11.343 -7.962 2.808 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.892 -10.149 3.444 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.277 -9.891 1.702 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.515 -8.535 0.574 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.605 -9.940 0.518 1.00 21.11 H new ATOM 565 N ALA A 36 13.776 -6.705 3.499 1.00 32.44 N ATOM 566 CA ALA A 36 14.750 -6.322 4.514 1.00 70.24 C ATOM 567 C ALA A 36 15.038 -7.481 5.462 1.00 54.21 C ATOM 568 O ALA A 36 16.014 -7.454 6.211 1.00 10.51 O ATOM 569 CB ALA A 36 14.253 -5.112 5.291 1.00 11.33 C ATOM 0 H ALA A 36 12.830 -6.367 3.674 1.00 32.44 H new ATOM 0 HA ALA A 36 15.680 -6.059 4.010 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.990 -4.837 6.046 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.104 -4.276 4.607 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.308 -5.355 5.778 1.00 11.33 H new ATOM 575 N SER A 37 14.182 -8.497 5.425 1.00 12.43 N ATOM 576 CA SER A 37 14.343 -9.664 6.285 1.00 24.12 C ATOM 577 C SER A 37 14.606 -10.918 5.456 1.00 71.45 C ATOM 578 O SER A 37 14.636 -12.029 5.982 1.00 35.33 O ATOM 579 CB SER A 37 13.096 -9.863 7.149 1.00 74.34 C ATOM 580 OG SER A 37 13.230 -9.204 8.397 1.00 31.32 O ATOM 0 H SER A 37 13.370 -8.536 4.809 1.00 12.43 H new ATOM 0 HA SER A 37 15.202 -9.491 6.933 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.221 -9.480 6.624 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.929 -10.928 7.312 1.00 74.34 H new ATOM 0 HG SER A 37 12.420 -9.345 8.930 1.00 31.32 H new ATOM 586 N GLY A 38 14.796 -10.729 4.154 1.00 20.32 N ATOM 587 CA GLY A 38 15.053 -11.853 3.271 1.00 11.02 C ATOM 588 C GLY A 38 14.402 -11.684 1.913 1.00 44.13 C ATOM 589 O GLY A 38 14.576 -10.658 1.255 1.00 2.10 O ATOM 0 H GLY A 38 14.777 -9.819 3.695 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.129 -11.971 3.142 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.685 -12.768 3.736 1.00 11.02 H new ATOM 593 N VAL A 39 13.650 -12.695 1.489 1.00 25.01 N ATOM 594 CA VAL A 39 12.971 -12.656 0.199 1.00 53.13 C ATOM 595 C VAL A 39 11.611 -13.341 0.273 1.00 4.40 C ATOM 596 O VAL A 39 11.460 -14.373 0.927 1.00 12.03 O ATOM 597 CB VAL A 39 13.814 -13.328 -0.900 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.747 -14.843 -0.773 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.349 -12.880 -2.277 1.00 44.20 C ATOM 0 H VAL A 39 13.496 -13.552 2.021 1.00 25.01 H new ATOM 0 HA VAL A 39 12.831 -11.605 -0.054 1.00 53.13 H new ATOM 0 HB VAL A 39 14.853 -13.022 -0.775 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.349 -15.301 -1.558 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.132 -15.144 0.201 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.712 -15.171 -0.871 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.956 -13.365 -3.042 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.303 -13.155 -2.415 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.454 -11.798 -2.362 1.00 44.20 H new ATOM 609 N GLU A 40 10.624 -12.760 -0.401 1.00 32.42 N ATOM 610 CA GLU A 40 9.276 -13.315 -0.412 1.00 60.10 C ATOM 611 C GLU A 40 9.034 -14.132 -1.678 1.00 42.53 C ATOM 612 O GLU A 40 9.189 -13.629 -2.791 1.00 20.13 O ATOM 613 CB GLU A 40 8.239 -12.195 -0.308 1.00 24.13 C ATOM 614 CG GLU A 40 8.366 -11.363 0.958 1.00 11.04 C ATOM 615 CD GLU A 40 7.183 -11.535 1.891 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.397 -11.959 3.046 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.045 -11.245 1.466 1.00 55.13 O1- ATOM 0 H GLU A 40 10.733 -11.905 -0.947 1.00 32.42 H new ATOM 0 HA GLU A 40 9.175 -13.975 0.450 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.336 -11.540 -1.174 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.241 -12.631 -0.348 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.280 -11.642 1.482 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.462 -10.311 0.689 1.00 11.04 H new ATOM 624 N GLN A 41 8.654 -15.392 -1.499 1.00 42.11 N ATOM 625 CA GLN A 41 8.391 -16.279 -2.626 1.00 75.52 C ATOM 626 C GLN A 41 6.935 -16.182 -3.067 1.00 53.35 C ATOM 627 O GLN A 41 6.051 -15.885 -2.263 1.00 61.42 O ATOM 628 CB GLN A 41 8.729 -17.724 -2.256 1.00 53.24 C ATOM 629 CG GLN A 41 10.204 -17.946 -1.957 1.00 24.20 C ATOM 630 CD GLN A 41 10.967 -18.483 -3.151 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.374 -18.975 -4.112 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.291 -18.392 -3.098 1.00 4.21 N ATOM 0 H GLN A 41 8.521 -15.822 -0.584 1.00 42.11 H new ATOM 0 HA GLN A 41 9.025 -15.967 -3.456 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.142 -18.014 -1.384 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.430 -18.379 -3.074 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.652 -17.005 -1.638 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.301 -18.643 -1.125 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.741 -17.977 -2.282 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.857 -18.737 -3.873 1.00 4.21 H new ATOM 641 N TRP A 42 6.692 -16.433 -4.349 1.00 43.02 N ATOM 642 CA TRP A 42 5.342 -16.374 -4.896 1.00 5.44 C ATOM 643 C TRP A 42 5.199 -17.303 -6.097 1.00 60.44 C ATOM 644 O TRP A 42 6.110 -17.413 -6.919 1.00 11.52 O ATOM 645 CB TRP A 42 4.997 -14.940 -5.302 1.00 34.30 C ATOM 646 CG TRP A 42 4.935 -13.993 -4.142 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.953 -13.222 -3.659 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.796 -13.718 -3.320 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.517 -12.485 -2.585 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.196 -12.770 -2.357 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.477 -14.178 -3.303 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.324 -12.278 -1.390 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.612 -13.689 -2.343 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.038 -12.747 -1.397 1.00 22.13 C ATOM 0 H TRP A 42 7.412 -16.679 -5.028 1.00 43.02 H new ATOM 0 HA TRP A 42 4.649 -16.703 -4.122 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.741 -14.583 -6.014 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.036 -14.937 -5.816 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.955 -13.195 -4.062 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.084 -11.832 -2.045 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.139 -14.904 -4.028 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.650 -11.552 -0.660 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.590 -14.039 -2.321 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.338 -12.384 -0.659 1.00 22.13 H new ATOM 665 N ILE A 43 4.054 -17.969 -6.191 1.00 22.22 N ATOM 666 CA ILE A 43 3.794 -18.888 -7.293 1.00 14.53 C ATOM 667 C ILE A 43 2.709 -18.346 -8.216 1.00 73.12 C ATOM 668 O ILE A 43 1.577 -18.111 -7.791 1.00 34.33 O ATOM 669 CB ILE A 43 3.369 -20.277 -6.780 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.420 -20.833 -5.816 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.155 -21.230 -7.946 1.00 31.11 C ATOM 672 CD1 ILE A 43 3.853 -21.252 -4.479 1.00 2.14 C ATOM 0 H ILE A 43 3.291 -17.890 -5.518 1.00 22.22 H new ATOM 0 HA ILE A 43 4.726 -18.985 -7.849 1.00 14.53 H new ATOM 0 HB ILE A 43 2.427 -20.176 -6.241 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.908 -21.691 -6.279 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.189 -20.077 -5.655 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.855 -22.207 -7.567 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.374 -20.838 -8.598 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.082 -21.329 -8.510 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.655 -21.636 -3.848 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.390 -20.392 -3.995 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.105 -22.031 -4.629 1.00 2.14 H new ATOM 684 N VAL A 44 3.060 -18.151 -9.483 1.00 32.54 N ATOM 685 CA VAL A 44 2.115 -17.640 -10.469 1.00 1.41 C ATOM 686 C VAL A 44 2.003 -18.581 -11.663 1.00 62.00 C ATOM 687 O VAL A 44 2.878 -18.607 -12.528 1.00 64.24 O ATOM 688 CB VAL A 44 2.526 -16.241 -10.967 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.767 -15.161 -10.213 1.00 0.24 C ATOM 690 CG2 VAL A 44 4.028 -16.046 -10.826 1.00 14.24 C ATOM 0 H VAL A 44 3.992 -18.339 -9.851 1.00 32.54 H new ATOM 0 HA VAL A 44 1.147 -17.571 -9.974 1.00 1.41 H new ATOM 0 HB VAL A 44 2.270 -16.161 -12.023 1.00 75.11 H new ATOM 0 HG11 VAL A 44 2.071 -14.180 -10.579 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.696 -15.291 -10.370 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.989 -15.236 -9.148 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.301 -15.053 -11.182 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.311 -16.146 -9.778 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.550 -16.799 -11.416 1.00 14.24 H new ATOM 700 N ASP A 45 0.921 -19.350 -11.703 1.00 45.32 N ATOM 701 CA ASP A 45 0.694 -20.292 -12.793 1.00 21.31 C ATOM 702 C ASP A 45 0.063 -19.593 -13.993 1.00 43.53 C ATOM 703 O ASP A 45 -0.703 -18.641 -13.839 1.00 12.42 O ATOM 704 CB ASP A 45 -0.204 -21.439 -12.326 1.00 64.12 C ATOM 705 CG ASP A 45 -0.769 -22.240 -13.482 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.999 -22.455 -13.510 1.00 21.05 O ATOM 707 OD2 ASP A 45 0.018 -22.652 -14.359 1.00 51.12 O1- ATOM 0 H ASP A 45 0.188 -19.340 -10.994 1.00 45.32 H new ATOM 0 HA ASP A 45 1.659 -20.697 -13.097 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.366 -22.101 -11.674 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -1.024 -21.036 -11.732 1.00 64.12 H new ATOM 712 N LEU A 46 0.390 -20.070 -15.189 1.00 52.01 N ATOM 713 CA LEU A 46 -0.143 -19.490 -16.416 1.00 33.22 C ATOM 714 C LEU A 46 -1.249 -20.366 -16.997 1.00 13.22 C ATOM 715 O LEU A 46 -2.005 -19.935 -17.869 1.00 72.41 O ATOM 716 CB LEU A 46 0.974 -19.310 -17.446 1.00 61.21 C ATOM 717 CG LEU A 46 1.945 -20.482 -17.595 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.227 -20.759 -19.064 1.00 24.32 C ATOM 719 CD2 LEU A 46 3.239 -20.200 -16.845 1.00 32.43 C ATOM 0 H LEU A 46 1.022 -20.857 -15.335 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.566 -18.515 -16.174 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.518 -19.116 -18.417 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.547 -18.421 -17.180 1.00 61.21 H new ATOM 0 HG LEU A 46 1.483 -21.369 -17.162 1.00 13.54 H new ATOM 0 HD11 LEU A 46 2.920 -21.596 -19.150 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.295 -21.005 -19.573 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.668 -19.874 -19.523 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.919 -21.044 -16.962 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.705 -19.301 -17.248 1.00 32.43 H new ATOM 0 HD23 LEU A 46 3.022 -20.053 -15.787 1.00 32.43 H new ATOM 731 N LYS A 47 -1.340 -21.598 -16.506 1.00 32.14 N ATOM 732 CA LYS A 47 -2.355 -22.534 -16.972 1.00 73.41 C ATOM 733 C LYS A 47 -3.753 -22.060 -16.584 1.00 25.15 C ATOM 734 O LYS A 47 -4.654 -22.008 -17.420 1.00 30.54 O ATOM 735 CB LYS A 47 -2.099 -23.927 -16.392 1.00 12.14 C ATOM 736 CG LYS A 47 -0.921 -24.643 -17.030 1.00 71.22 C ATOM 737 CD LYS A 47 -0.640 -25.972 -16.348 1.00 44.04 C ATOM 738 CE LYS A 47 0.395 -25.823 -15.243 1.00 52.41 C ATOM 739 NZ LYS A 47 1.135 -27.093 -15.002 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.722 -21.971 -15.785 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.296 -22.583 -18.059 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -1.923 -23.839 -15.320 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.995 -24.535 -16.519 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -1.126 -24.812 -18.087 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.036 -24.010 -16.974 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.565 -26.371 -15.931 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.286 -26.693 -17.085 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.101 -25.036 -15.510 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -0.098 -25.510 -14.323 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 1.831 -26.951 -14.242 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 0.465 -27.838 -14.723 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.627 -27.379 -15.873 1.00 64.34 H new ATOM 753 N GLN A 48 -3.923 -21.714 -15.312 1.00 45.21 N ATOM 754 CA GLN A 48 -5.210 -21.244 -14.814 1.00 10.22 C ATOM 755 C GLN A 48 -5.144 -19.766 -14.445 1.00 4.23 C ATOM 756 O GLN A 48 -6.147 -19.167 -14.056 1.00 2.01 O ATOM 757 CB GLN A 48 -5.643 -22.067 -13.600 1.00 63.24 C ATOM 758 CG GLN A 48 -5.805 -23.550 -13.895 1.00 72.31 C ATOM 759 CD GLN A 48 -6.378 -24.320 -12.722 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.433 -24.946 -12.831 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.685 -24.278 -11.590 1.00 43.10 N ATOM 0 H GLN A 48 -3.186 -21.750 -14.608 1.00 45.21 H new ATOM 0 HA GLN A 48 -5.946 -21.368 -15.608 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.907 -21.942 -12.806 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.588 -21.675 -13.224 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.457 -23.675 -14.760 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.836 -23.971 -14.162 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.815 -23.747 -11.544 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.022 -24.777 -10.767 1.00 43.10 H new ATOM 770 N LEU A 49 -3.956 -19.184 -14.567 1.00 40.44 N ATOM 771 CA LEU A 49 -3.758 -17.775 -14.245 1.00 12.54 C ATOM 772 C LEU A 49 -4.131 -17.490 -12.794 1.00 71.02 C ATOM 773 O LEU A 49 -5.100 -16.784 -12.517 1.00 2.15 O ATOM 774 CB LEU A 49 -4.592 -16.896 -15.179 1.00 75.10 C ATOM 775 CG LEU A 49 -4.094 -16.788 -16.621 1.00 14.43 C ATOM 776 CD1 LEU A 49 -2.616 -16.427 -16.649 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.342 -18.088 -17.370 1.00 22.10 C ATOM 0 H LEU A 49 -3.116 -19.666 -14.886 1.00 40.44 H new ATOM 0 HA LEU A 49 -2.702 -17.542 -14.382 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -5.611 -17.283 -15.196 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -4.639 -15.893 -14.756 1.00 75.10 H new ATOM 0 HG LEU A 49 -4.651 -15.994 -17.119 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -2.279 -16.354 -17.683 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -2.466 -15.470 -16.150 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.043 -17.198 -16.134 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -3.981 -17.992 -18.394 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.812 -18.901 -16.873 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.410 -18.304 -17.380 1.00 22.10 H new ATOM 789 N LYS A 50 -3.352 -18.043 -11.870 1.00 54.03 N ATOM 790 CA LYS A 50 -3.596 -17.846 -10.445 1.00 73.12 C ATOM 791 C LYS A 50 -2.334 -17.363 -9.738 1.00 13.13 C ATOM 792 O LYS A 50 -1.297 -17.158 -10.369 1.00 33.05 O ATOM 793 CB LYS A 50 -4.086 -19.148 -9.807 1.00 23.41 C ATOM 794 CG LYS A 50 -3.083 -20.286 -9.900 1.00 12.24 C ATOM 795 CD LYS A 50 -2.372 -20.512 -8.577 1.00 71.24 C ATOM 796 CE LYS A 50 -2.802 -21.819 -7.929 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.540 -22.989 -8.812 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.546 -18.631 -12.082 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.366 -17.082 -10.335 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.318 -18.964 -8.758 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.014 -19.453 -10.290 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.595 -21.200 -10.199 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.349 -20.063 -10.675 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.294 -20.522 -8.739 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.585 -19.683 -7.902 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.270 -21.949 -6.987 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.865 -21.774 -7.692 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.318 -23.821 -8.229 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.383 -23.185 -9.388 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.735 -22.779 -9.436 1.00 41.23 H new ATOM 811 N VAL A 51 -2.429 -17.185 -8.424 1.00 11.01 N ATOM 812 CA VAL A 51 -1.294 -16.729 -7.631 1.00 51.13 C ATOM 813 C VAL A 51 -1.323 -17.333 -6.231 1.00 24.24 C ATOM 814 O VAL A 51 -2.388 -17.481 -5.631 1.00 11.33 O ATOM 815 CB VAL A 51 -1.271 -15.194 -7.515 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.632 -14.670 -7.083 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.187 -14.749 -6.545 1.00 51.31 C ATOM 0 H VAL A 51 -3.280 -17.350 -7.887 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.394 -17.061 -8.148 1.00 51.13 H new ATOM 0 HB VAL A 51 -1.043 -14.777 -8.496 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.596 -13.583 -7.007 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.383 -14.957 -7.819 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.894 -15.093 -6.113 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -0.185 -13.661 -6.475 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.382 -15.175 -5.561 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.784 -15.091 -6.903 1.00 51.31 H new ATOM 827 N ASP A 52 -0.149 -17.680 -5.717 1.00 34.02 N ATOM 828 CA ASP A 52 -0.040 -18.267 -4.387 1.00 10.05 C ATOM 829 C ASP A 52 1.261 -17.843 -3.711 1.00 41.12 C ATOM 830 O ASP A 52 2.155 -17.292 -4.354 1.00 32.23 O ATOM 831 CB ASP A 52 -0.111 -19.792 -4.471 1.00 62.44 C ATOM 832 CG ASP A 52 -0.902 -20.269 -5.674 1.00 53.22 C ATOM 833 OD1 ASP A 52 -2.135 -20.069 -5.691 1.00 40.15 O ATOM 834 OD2 ASP A 52 -0.288 -20.840 -6.598 1.00 41.01 O1- ATOM 0 H ASP A 52 0.741 -17.565 -6.201 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.875 -17.905 -3.788 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.899 -20.198 -4.520 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.568 -20.182 -3.561 1.00 62.44 H new ATOM 839 N GLN A 53 1.359 -18.102 -2.411 1.00 45.12 N ATOM 840 CA GLN A 53 2.549 -17.746 -1.649 1.00 63.05 C ATOM 841 C GLN A 53 3.513 -18.925 -1.561 1.00 31.52 C ATOM 842 O GLN A 53 3.096 -20.083 -1.577 1.00 43.42 O ATOM 843 CB GLN A 53 2.162 -17.283 -0.243 1.00 21.35 C ATOM 844 CG GLN A 53 2.884 -16.022 0.203 1.00 51.34 C ATOM 845 CD GLN A 53 3.690 -16.229 1.470 1.00 13.11 C ATOM 846 OE1 GLN A 53 3.394 -15.642 2.510 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.717 -17.068 1.388 1.00 1.42 N ATOM 0 H GLN A 53 0.628 -18.557 -1.864 1.00 45.12 H new ATOM 0 HA GLN A 53 3.050 -16.929 -2.168 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.087 -17.107 -0.211 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.375 -18.083 0.466 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.547 -15.686 -0.594 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.155 -15.229 0.366 1.00 51.34 H new ATOM 0 HE21 GLN A 53 4.926 -17.533 0.505 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.296 -17.247 2.208 1.00 1.42 H new ATOM 856 N GLY A 54 4.804 -18.622 -1.469 1.00 60.23 N ATOM 857 CA GLY A 54 5.807 -19.667 -1.380 1.00 32.11 C ATOM 858 C GLY A 54 6.412 -20.007 -2.728 1.00 61.12 C ATOM 859 O GLY A 54 6.390 -19.190 -3.649 1.00 34.53 O ATOM 0 H GLY A 54 5.173 -17.671 -1.455 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.598 -19.350 -0.700 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.357 -20.562 -0.951 1.00 32.11 H new ATOM 863 N VAL A 55 6.954 -21.215 -2.845 1.00 63.32 N ATOM 864 CA VAL A 55 7.568 -21.660 -4.090 1.00 0.23 C ATOM 865 C VAL A 55 6.894 -22.923 -4.614 1.00 31.05 C ATOM 866 O VAL A 55 6.426 -23.758 -3.839 1.00 13.53 O ATOM 867 CB VAL A 55 9.074 -21.933 -3.907 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.296 -23.031 -2.877 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.713 -22.301 -5.237 1.00 61.54 C ATOM 0 H VAL A 55 6.980 -21.903 -2.092 1.00 63.32 H new ATOM 0 HA VAL A 55 7.437 -20.855 -4.813 1.00 0.23 H new ATOM 0 HB VAL A 55 9.549 -21.023 -3.541 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.365 -23.210 -2.761 1.00 35.12 H new ATOM 0 HG12 VAL A 55 8.874 -22.723 -1.920 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.809 -23.947 -3.211 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.776 -22.490 -5.090 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.236 -23.197 -5.634 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.585 -21.479 -5.942 1.00 61.54 H new ATOM 879 N PHE A 56 6.848 -23.057 -5.936 1.00 21.01 N ATOM 880 CA PHE A 56 6.230 -24.217 -6.565 1.00 21.13 C ATOM 881 C PHE A 56 7.182 -25.411 -6.557 1.00 72.32 C ATOM 882 O PHE A 56 8.399 -25.247 -6.499 1.00 54.15 O ATOM 883 CB PHE A 56 5.820 -23.887 -8.002 1.00 15.22 C ATOM 884 CG PHE A 56 4.989 -24.958 -8.649 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.863 -25.459 -8.016 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.335 -25.466 -9.892 1.00 11.02 C ATOM 887 CE1 PHE A 56 3.096 -26.443 -8.609 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.572 -26.450 -10.489 1.00 40.34 C ATOM 889 CZ PHE A 56 3.451 -26.941 -9.847 1.00 32.22 C ATOM 0 H PHE A 56 7.232 -22.376 -6.591 1.00 21.01 H new ATOM 0 HA PHE A 56 5.341 -24.479 -5.992 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.260 -22.952 -8.006 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.717 -23.724 -8.599 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.581 -25.075 -7.047 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.211 -25.088 -10.399 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.220 -26.822 -8.105 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.851 -26.836 -11.458 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.854 -27.712 -10.312 1.00 32.22 H new ATOM 899 N ALA A 57 6.615 -26.612 -6.616 1.00 32.10 N ATOM 900 CA ALA A 57 7.410 -27.833 -6.617 1.00 4.40 C ATOM 901 C ALA A 57 8.498 -27.779 -7.686 1.00 45.14 C ATOM 902 O ALA A 57 9.576 -28.349 -7.517 1.00 5.11 O ATOM 903 CB ALA A 57 6.517 -29.046 -6.832 1.00 15.14 C ATOM 0 H ALA A 57 5.608 -26.765 -6.664 1.00 32.10 H new ATOM 0 HA ALA A 57 7.895 -27.921 -5.645 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.125 -29.950 -6.830 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.781 -29.102 -6.030 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.004 -28.955 -7.790 1.00 15.14 H new ATOM 909 N SER A 58 8.207 -27.091 -8.785 1.00 54.32 N ATOM 910 CA SER A 58 9.158 -26.966 -9.883 1.00 12.25 C ATOM 911 C SER A 58 8.597 -26.080 -10.990 1.00 23.03 C ATOM 912 O SER A 58 8.029 -26.556 -11.975 1.00 74.33 O ATOM 913 CB SER A 58 9.503 -28.346 -10.445 1.00 24.15 C ATOM 914 OG SER A 58 10.843 -28.389 -10.904 1.00 63.33 O ATOM 0 H SER A 58 7.320 -26.611 -8.939 1.00 54.32 H new ATOM 0 HA SER A 58 10.065 -26.502 -9.495 1.00 12.25 H new ATOM 0 HB2 SER A 58 9.354 -29.103 -9.675 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.827 -28.588 -11.265 1.00 24.15 H new ATOM 0 HG SER A 58 11.039 -29.282 -11.257 1.00 63.33 H new ATOM 920 N PRO A 59 8.757 -24.758 -10.827 1.00 64.12 N ATOM 921 CA PRO A 59 8.273 -23.775 -11.803 1.00 73.32 C ATOM 922 C PRO A 59 9.068 -23.810 -13.103 1.00 23.22 C ATOM 923 O PRO A 59 10.291 -23.948 -13.091 1.00 4.44 O ATOM 924 CB PRO A 59 8.476 -22.437 -11.087 1.00 61.42 C ATOM 925 CG PRO A 59 9.577 -22.690 -10.115 1.00 4.13 C ATOM 926 CD PRO A 59 9.423 -24.121 -9.679 1.00 10.03 C ATOM 0 HA PRO A 59 7.241 -23.965 -12.097 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.743 -21.648 -11.790 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.566 -22.117 -10.580 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.551 -22.525 -10.576 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.509 -22.013 -9.263 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.388 -24.582 -9.467 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.825 -24.202 -8.772 1.00 10.03 H new ATOM 934 N ASP A 60 8.366 -23.685 -14.224 1.00 20.31 N ATOM 935 CA ASP A 60 9.007 -23.701 -15.534 1.00 71.05 C ATOM 936 C ASP A 60 10.001 -22.551 -15.666 1.00 72.31 C ATOM 937 O ASP A 60 10.898 -22.587 -16.508 1.00 5.43 O ATOM 938 CB ASP A 60 7.955 -23.613 -16.641 1.00 60.31 C ATOM 939 CG ASP A 60 8.274 -24.516 -17.816 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.397 -25.315 -18.207 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.401 -24.424 -18.345 1.00 72.43 O1- ATOM 0 H ASP A 60 7.353 -23.571 -14.252 1.00 20.31 H new ATOM 0 HA ASP A 60 9.551 -24.640 -15.635 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.980 -23.882 -16.234 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.882 -22.582 -16.988 1.00 60.31 H new ATOM 946 N VAL A 61 9.833 -21.532 -14.830 1.00 23.13 N ATOM 947 CA VAL A 61 10.716 -20.371 -14.854 1.00 4.42 C ATOM 948 C VAL A 61 10.832 -19.741 -13.470 1.00 2.01 C ATOM 949 O VAL A 61 9.903 -19.807 -12.665 1.00 3.25 O ATOM 950 CB VAL A 61 10.217 -19.308 -15.850 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.134 -18.094 -15.839 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.113 -19.895 -17.249 1.00 33.43 C ATOM 0 H VAL A 61 9.094 -21.486 -14.128 1.00 23.13 H new ATOM 0 HA VAL A 61 11.697 -20.725 -15.172 1.00 4.42 H new ATOM 0 HB VAL A 61 9.222 -18.985 -15.542 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.766 -17.353 -16.549 1.00 0.55 H new ATOM 0 HG12 VAL A 61 11.152 -17.661 -14.839 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.142 -18.397 -16.121 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.759 -19.129 -17.939 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.093 -20.247 -17.570 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.412 -20.730 -17.242 1.00 33.43 H new ATOM 962 N THR A 62 11.980 -19.129 -13.199 1.00 50.24 N ATOM 963 CA THR A 62 12.220 -18.488 -11.913 1.00 14.23 C ATOM 964 C THR A 62 12.604 -17.023 -12.092 1.00 31.34 C ATOM 965 O THR A 62 13.679 -16.711 -12.605 1.00 52.43 O ATOM 966 CB THR A 62 13.332 -19.205 -11.125 1.00 64.24 C ATOM 967 OG1 THR A 62 13.849 -20.297 -11.893 1.00 4.13 O ATOM 968 CG2 THR A 62 12.806 -19.720 -9.794 1.00 53.40 C ATOM 0 H THR A 62 12.759 -19.064 -13.854 1.00 50.24 H new ATOM 0 HA THR A 62 11.288 -18.551 -11.351 1.00 14.23 H new ATOM 0 HB THR A 62 14.129 -18.488 -10.930 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.557 -20.747 -11.386 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.609 -20.223 -9.255 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.439 -18.883 -9.200 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.993 -20.424 -9.972 1.00 53.40 H new ATOM 976 N VAL A 63 11.719 -16.127 -11.666 1.00 71.42 N ATOM 977 CA VAL A 63 11.967 -14.696 -11.778 1.00 52.44 C ATOM 978 C VAL A 63 12.496 -14.125 -10.466 1.00 12.25 C ATOM 979 O VAL A 63 11.919 -14.348 -9.401 1.00 15.12 O ATOM 980 CB VAL A 63 10.688 -13.934 -12.177 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.975 -12.446 -12.315 1.00 23.22 C ATOM 982 CG2 VAL A 63 10.115 -14.498 -13.469 1.00 54.53 C ATOM 0 H VAL A 63 10.824 -16.368 -11.240 1.00 71.42 H new ATOM 0 HA VAL A 63 12.718 -14.565 -12.557 1.00 52.44 H new ATOM 0 HB VAL A 63 9.946 -14.065 -11.390 1.00 74.33 H new ATOM 0 HG11 VAL A 63 10.061 -11.924 -12.597 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.337 -12.056 -11.364 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.733 -12.291 -13.083 1.00 23.22 H new ATOM 0 HG21 VAL A 63 9.212 -13.949 -13.737 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.851 -14.398 -14.267 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.871 -15.551 -13.330 1.00 54.53 H new ATOM 992 N THR A 64 13.598 -13.386 -10.550 1.00 21.22 N ATOM 993 CA THR A 64 14.206 -12.784 -9.371 1.00 44.01 C ATOM 994 C THR A 64 14.255 -11.265 -9.492 1.00 25.10 C ATOM 995 O THR A 64 15.042 -10.719 -10.264 1.00 72.04 O ATOM 996 CB THR A 64 15.634 -13.315 -9.142 1.00 34.33 C ATOM 997 OG1 THR A 64 15.933 -14.343 -10.093 1.00 1.35 O ATOM 998 CG2 THR A 64 15.788 -13.863 -7.731 1.00 73.53 C ATOM 0 H THR A 64 14.087 -13.190 -11.423 1.00 21.22 H new ATOM 0 HA THR A 64 13.583 -13.058 -8.520 1.00 44.01 H new ATOM 0 HB THR A 64 16.331 -12.487 -9.271 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.843 -14.674 -9.942 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.804 -14.232 -7.593 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.588 -13.071 -7.009 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.082 -14.679 -7.579 1.00 73.53 H new ATOM 1006 N VAL A 65 13.407 -10.587 -8.724 1.00 24.10 N ATOM 1007 CA VAL A 65 13.354 -9.130 -8.744 1.00 44.40 C ATOM 1008 C VAL A 65 13.367 -8.561 -7.331 1.00 72.43 C ATOM 1009 O VAL A 65 12.977 -9.231 -6.376 1.00 51.43 O ATOM 1010 CB VAL A 65 12.098 -8.625 -9.479 1.00 33.51 C ATOM 1011 CG1 VAL A 65 12.091 -7.104 -9.540 1.00 53.11 C ATOM 1012 CG2 VAL A 65 12.021 -9.222 -10.876 1.00 61.51 C ATOM 0 H VAL A 65 12.747 -11.024 -8.080 1.00 24.10 H new ATOM 0 HA VAL A 65 14.240 -8.787 -9.278 1.00 44.40 H new ATOM 0 HB VAL A 65 11.218 -8.948 -8.922 1.00 33.51 H new ATOM 0 HG11 VAL A 65 11.197 -6.765 -10.063 1.00 53.11 H new ATOM 0 HG12 VAL A 65 12.095 -6.699 -8.528 1.00 53.11 H new ATOM 0 HG13 VAL A 65 12.976 -6.757 -10.073 1.00 53.11 H new ATOM 0 HG21 VAL A 65 11.127 -8.854 -11.380 1.00 61.51 H new ATOM 0 HG22 VAL A 65 12.904 -8.932 -11.445 1.00 61.51 H new ATOM 0 HG23 VAL A 65 11.976 -10.309 -10.805 1.00 61.51 H new ATOM 1022 N GLY A 66 13.819 -7.317 -7.204 1.00 71.14 N ATOM 1023 CA GLY A 66 13.874 -6.676 -5.903 1.00 41.23 C ATOM 1024 C GLY A 66 12.634 -5.856 -5.607 1.00 23.54 C ATOM 1025 O GLY A 66 11.866 -5.530 -6.514 1.00 73.14 O ATOM 0 H GLY A 66 14.148 -6.742 -7.979 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.995 -7.437 -5.132 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.752 -6.031 -5.856 1.00 41.23 H new ATOM 1029 N LEU A 67 12.436 -5.522 -4.337 1.00 13.24 N ATOM 1030 CA LEU A 67 11.279 -4.736 -3.923 1.00 45.22 C ATOM 1031 C LEU A 67 11.192 -3.437 -4.718 1.00 21.23 C ATOM 1032 O LEU A 67 10.227 -3.208 -5.446 1.00 45.23 O ATOM 1033 CB LEU A 67 11.356 -4.427 -2.427 1.00 52.23 C ATOM 1034 CG LEU A 67 10.018 -4.325 -1.694 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.396 -5.703 -1.523 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.200 -3.649 -0.343 1.00 21.12 C ATOM 0 H LEU A 67 13.062 -5.783 -3.575 1.00 13.24 H new ATOM 0 HA LEU A 67 10.382 -5.323 -4.120 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.953 -5.202 -1.946 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.891 -3.486 -2.298 1.00 52.23 H new ATOM 0 HG LEU A 67 9.342 -3.716 -2.295 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.445 -5.610 -0.999 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.229 -6.151 -2.503 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.068 -6.336 -0.944 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.237 -3.585 0.164 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.893 -4.231 0.265 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.600 -2.646 -0.489 1.00 21.12 H new ATOM 1048 N GLU A 68 12.209 -2.592 -4.575 1.00 23.10 N ATOM 1049 CA GLU A 68 12.246 -1.316 -5.280 1.00 24.34 C ATOM 1050 C GLU A 68 12.012 -1.515 -6.776 1.00 61.31 C ATOM 1051 O GLU A 68 11.427 -0.661 -7.442 1.00 21.23 O ATOM 1052 CB GLU A 68 13.589 -0.620 -5.052 1.00 2.03 C ATOM 1053 CG GLU A 68 13.896 -0.359 -3.586 1.00 62.33 C ATOM 1054 CD GLU A 68 14.498 1.014 -3.353 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.214 1.613 -2.294 1.00 72.13 O ATOM 1056 OE2 GLU A 68 15.252 1.488 -4.228 1.00 60.41 O1- ATOM 0 H GLU A 68 13.017 -2.768 -3.978 1.00 23.10 H new ATOM 0 HA GLU A 68 11.448 -0.688 -4.884 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.384 -1.233 -5.478 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.594 0.328 -5.590 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.979 -0.454 -3.004 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.585 -1.121 -3.221 1.00 62.33 H new ATOM 1063 N ASP A 69 12.475 -2.646 -7.295 1.00 20.45 N ATOM 1064 CA ASP A 69 12.317 -2.959 -8.711 1.00 42.22 C ATOM 1065 C ASP A 69 10.861 -3.269 -9.039 1.00 43.43 C ATOM 1066 O ASP A 69 10.329 -2.804 -10.049 1.00 14.14 O ATOM 1067 CB ASP A 69 13.203 -4.144 -9.096 1.00 71.20 C ATOM 1068 CG ASP A 69 14.680 -3.804 -9.045 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.013 -2.657 -8.681 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.502 -4.686 -9.368 1.00 23.21 O1- ATOM 0 H ASP A 69 12.963 -3.362 -6.757 1.00 20.45 H new ATOM 0 HA ASP A 69 12.623 -2.086 -9.287 1.00 42.22 H new ATOM 0 HB2 ASP A 69 13.002 -4.978 -8.423 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.944 -4.476 -10.101 1.00 71.20 H new ATOM 1075 N MET A 70 10.221 -4.056 -8.181 1.00 54.02 N ATOM 1076 CA MET A 70 8.824 -4.428 -8.381 1.00 40.11 C ATOM 1077 C MET A 70 7.908 -3.223 -8.194 1.00 33.44 C ATOM 1078 O MET A 70 7.066 -2.932 -9.045 1.00 2.01 O ATOM 1079 CB MET A 70 8.427 -5.542 -7.410 1.00 64.44 C ATOM 1080 CG MET A 70 8.585 -6.938 -7.989 1.00 53.12 C ATOM 1081 SD MET A 70 7.046 -7.877 -7.969 1.00 44.35 S ATOM 1082 CE MET A 70 7.092 -8.637 -9.590 1.00 74.02 C ATOM 0 H MET A 70 10.646 -4.449 -7.341 1.00 54.02 H new ATOM 0 HA MET A 70 8.713 -4.790 -9.403 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.035 -5.461 -6.509 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.389 -5.398 -7.109 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.947 -6.863 -9.014 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.343 -7.478 -7.422 1.00 53.12 H new ATOM 0 HE1 MET A 70 6.338 -9.422 -9.645 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.888 -7.884 -10.351 1.00 74.02 H new ATOM 0 HE3 MET A 70 8.078 -9.068 -9.762 1.00 74.02 H new ATOM 1092 N LEU A 71 8.078 -2.525 -7.077 1.00 4.41 N ATOM 1093 CA LEU A 71 7.266 -1.351 -6.778 1.00 52.32 C ATOM 1094 C LEU A 71 7.298 -0.357 -7.934 1.00 50.24 C ATOM 1095 O LEU A 71 6.302 0.303 -8.227 1.00 51.41 O ATOM 1096 CB LEU A 71 7.762 -0.676 -5.497 1.00 73.33 C ATOM 1097 CG LEU A 71 7.903 -1.581 -4.273 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.978 -1.049 -3.337 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.573 -1.705 -3.544 1.00 30.51 C ATOM 0 H LEU A 71 8.771 -2.752 -6.363 1.00 4.41 H new ATOM 0 HA LEU A 71 6.237 -1.680 -6.634 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.731 -0.222 -5.702 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.076 0.134 -5.248 1.00 73.33 H new ATOM 0 HG LEU A 71 8.202 -2.573 -4.612 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.064 -1.706 -2.471 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.933 -1.013 -3.862 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.708 -0.046 -3.006 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.693 -2.353 -2.676 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.243 -0.719 -3.218 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.828 -2.133 -4.216 1.00 30.51 H new ATOM 1111 N ALA A 72 8.450 -0.257 -8.590 1.00 72.12 N ATOM 1112 CA ALA A 72 8.610 0.652 -9.718 1.00 10.33 C ATOM 1113 C ALA A 72 7.630 0.317 -10.837 1.00 3.31 C ATOM 1114 O ALA A 72 7.111 1.210 -11.508 1.00 20.22 O ATOM 1115 CB ALA A 72 10.041 0.603 -10.235 1.00 1.25 C ATOM 0 H ALA A 72 9.286 -0.794 -8.359 1.00 72.12 H new ATOM 0 HA ALA A 72 8.394 1.663 -9.372 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.147 1.286 -11.077 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.725 0.898 -9.440 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.276 -0.411 -10.558 1.00 1.25 H new ATOM 1121 N ILE A 73 7.381 -0.973 -11.033 1.00 10.35 N ATOM 1122 CA ILE A 73 6.462 -1.424 -12.070 1.00 70.44 C ATOM 1123 C ILE A 73 5.012 -1.274 -11.624 1.00 3.41 C ATOM 1124 O ILE A 73 4.243 -0.520 -12.220 1.00 51.33 O ATOM 1125 CB ILE A 73 6.721 -2.893 -12.452 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.223 -3.153 -12.583 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.003 -3.238 -13.749 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.556 -4.539 -13.087 1.00 20.44 C ATOM 0 H ILE A 73 7.803 -1.724 -10.487 1.00 10.35 H new ATOM 0 HA ILE A 73 6.638 -0.794 -12.942 1.00 70.44 H new ATOM 0 HB ILE A 73 6.329 -3.532 -11.661 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.653 -2.416 -13.261 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.695 -3.006 -11.611 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.196 -4.280 -14.006 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.931 -3.088 -13.622 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.367 -2.594 -14.549 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.638 -4.651 -13.155 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.156 -5.283 -12.398 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.114 -4.684 -14.073 1.00 20.44 H new ATOM 1140 N SER A 74 4.646 -1.996 -10.570 1.00 34.22 N ATOM 1141 CA SER A 74 3.287 -1.946 -10.043 1.00 34.44 C ATOM 1142 C SER A 74 2.891 -0.513 -9.700 1.00 12.00 C ATOM 1143 O SER A 74 1.707 -0.182 -9.638 1.00 4.54 O ATOM 1144 CB SER A 74 3.164 -2.832 -8.803 1.00 32.15 C ATOM 1145 OG SER A 74 2.428 -2.181 -7.782 1.00 43.53 O ATOM 0 H SER A 74 5.272 -2.623 -10.064 1.00 34.22 H new ATOM 0 HA SER A 74 2.611 -2.318 -10.813 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.673 -3.768 -9.069 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.158 -3.086 -8.434 1.00 32.15 H new ATOM 0 HG SER A 74 1.506 -2.512 -7.782 1.00 43.53 H new ATOM 1151 N GLY A 75 3.890 0.334 -9.478 1.00 30.23 N ATOM 1152 CA GLY A 75 3.628 1.722 -9.143 1.00 71.54 C ATOM 1153 C GLY A 75 3.169 2.530 -10.341 1.00 52.41 C ATOM 1154 O GLY A 75 2.835 3.707 -10.212 1.00 72.55 O ATOM 0 H GLY A 75 4.878 0.084 -9.524 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.866 1.767 -8.365 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.532 2.170 -8.731 1.00 71.54 H new ATOM 1158 N LYS A 76 3.154 1.897 -11.508 1.00 72.22 N ATOM 1159 CA LYS A 76 2.733 2.564 -12.735 1.00 63.32 C ATOM 1160 C LYS A 76 3.710 3.672 -13.114 1.00 4.25 C ATOM 1161 O LYS A 76 3.456 4.452 -14.033 1.00 51.51 O ATOM 1162 CB LYS A 76 1.327 3.145 -12.568 1.00 43.21 C ATOM 1163 CG LYS A 76 1.306 4.658 -12.436 1.00 10.13 C ATOM 1164 CD LYS A 76 0.038 5.140 -11.751 1.00 41.34 C ATOM 1165 CE LYS A 76 0.349 5.884 -10.461 1.00 40.22 C ATOM 1166 NZ LYS A 76 -0.860 6.041 -9.606 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.429 0.922 -11.631 1.00 72.22 H new ATOM 0 HA LYS A 76 2.721 1.824 -13.535 1.00 63.32 H new ATOM 0 HB2 LYS A 76 0.719 2.855 -13.425 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.864 2.705 -11.685 1.00 43.21 H new ATOM 0 HG2 LYS A 76 2.176 4.987 -11.867 1.00 10.13 H new ATOM 0 HG3 LYS A 76 1.382 5.112 -13.424 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.515 5.794 -12.425 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.606 4.288 -11.534 1.00 41.34 H new ATOM 0 HE2 LYS A 76 1.118 5.345 -9.907 1.00 40.22 H new ATOM 0 HE3 LYS A 76 0.756 6.867 -10.698 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -0.606 6.553 -8.737 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.585 6.577 -10.125 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -1.234 5.103 -9.359 1.00 53.25 H new ATOM 1180 N THR A 77 4.832 3.736 -12.402 1.00 13.43 N ATOM 1181 CA THR A 77 5.847 4.748 -12.665 1.00 43.43 C ATOM 1182 C THR A 77 6.881 4.244 -13.665 1.00 63.21 C ATOM 1183 O THR A 77 7.394 5.009 -14.483 1.00 21.54 O ATOM 1184 CB THR A 77 6.566 5.170 -11.370 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.521 6.199 -11.653 1.00 24.34 O ATOM 1186 CG2 THR A 77 7.268 3.983 -10.728 1.00 61.23 C ATOM 0 H THR A 77 5.060 3.099 -11.639 1.00 13.43 H new ATOM 0 HA THR A 77 5.331 5.612 -13.085 1.00 43.43 H new ATOM 0 HB THR A 77 5.818 5.549 -10.673 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.973 6.463 -10.824 1.00 24.34 H new ATOM 0 HG21 THR A 77 7.768 4.306 -9.815 1.00 61.23 H new ATOM 0 HG22 THR A 77 6.535 3.214 -10.487 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.005 3.577 -11.421 1.00 61.23 H new ATOM 1194 N LEU A 78 7.182 2.952 -13.596 1.00 61.23 N ATOM 1195 CA LEU A 78 8.155 2.344 -14.497 1.00 64.41 C ATOM 1196 C LEU A 78 7.524 1.205 -15.291 1.00 4.21 C ATOM 1197 O LEU A 78 6.410 0.769 -14.997 1.00 64.35 O ATOM 1198 CB LEU A 78 9.358 1.826 -13.707 1.00 40.00 C ATOM 1199 CG LEU A 78 10.678 1.740 -14.473 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.819 2.295 -13.635 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.966 0.302 -14.882 1.00 52.03 C ATOM 0 H LEU A 78 6.766 2.305 -12.926 1.00 61.23 H new ATOM 0 HA LEU A 78 8.491 3.108 -15.198 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.505 2.473 -12.842 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.117 0.834 -13.326 1.00 40.00 H new ATOM 0 HG LEU A 78 10.590 2.343 -15.377 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.750 2.225 -14.197 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.618 3.339 -13.393 1.00 21.42 H new ATOM 0 HD13 LEU A 78 11.907 1.719 -12.714 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.910 0.261 -15.426 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.033 -0.323 -13.992 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.162 -0.062 -15.522 1.00 52.03 H new ATOM 1213 N THR A 79 8.245 0.723 -16.301 1.00 53.44 N ATOM 1214 CA THR A 79 7.756 -0.365 -17.137 1.00 2.24 C ATOM 1215 C THR A 79 8.771 -1.501 -17.208 1.00 31.21 C ATOM 1216 O THR A 79 9.976 -1.278 -17.095 1.00 53.42 O ATOM 1217 CB THR A 79 7.444 0.119 -18.565 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.630 0.640 -19.175 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.364 1.190 -18.549 1.00 71.32 C ATOM 0 H THR A 79 9.169 1.070 -16.558 1.00 53.44 H new ATOM 0 HA THR A 79 6.837 -0.729 -16.677 1.00 2.24 H new ATOM 0 HB THR A 79 7.082 -0.731 -19.143 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.424 0.944 -20.084 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.160 1.517 -19.569 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.454 0.782 -18.110 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.703 2.040 -17.957 1.00 71.32 H new ATOM 1227 N VAL A 80 8.275 -2.721 -17.396 1.00 5.33 N ATOM 1228 CA VAL A 80 9.140 -3.891 -17.483 1.00 10.20 C ATOM 1229 C VAL A 80 10.254 -3.677 -18.500 1.00 63.11 C ATOM 1230 O VAL A 80 11.396 -4.077 -18.280 1.00 72.02 O ATOM 1231 CB VAL A 80 8.340 -5.150 -17.871 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.266 -6.352 -17.998 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.242 -5.418 -16.854 1.00 54.23 C ATOM 0 H VAL A 80 7.280 -2.924 -17.491 1.00 5.33 H new ATOM 0 HA VAL A 80 9.578 -4.036 -16.495 1.00 10.20 H new ATOM 0 HB VAL A 80 7.871 -4.978 -18.840 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.684 -7.232 -18.272 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.013 -6.156 -18.767 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.765 -6.529 -17.045 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.687 -6.310 -17.144 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.686 -5.570 -15.870 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.564 -4.565 -16.817 1.00 54.23 H new ATOM 1243 N GLY A 81 9.915 -3.040 -19.618 1.00 1.42 N ATOM 1244 CA GLY A 81 10.898 -2.782 -20.653 1.00 4.53 C ATOM 1245 C GLY A 81 12.061 -1.947 -20.154 1.00 72.43 C ATOM 1246 O GLY A 81 13.216 -2.223 -20.479 1.00 54.32 O ATOM 0 H GLY A 81 8.976 -2.698 -19.824 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.274 -3.730 -21.037 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.418 -2.269 -21.486 1.00 4.53 H new ATOM 1250 N ASP A 82 11.755 -0.925 -19.362 1.00 14.13 N ATOM 1251 CA ASP A 82 12.784 -0.047 -18.818 1.00 21.43 C ATOM 1252 C ASP A 82 13.633 -0.780 -17.784 1.00 23.42 C ATOM 1253 O ASP A 82 14.858 -0.656 -17.771 1.00 72.21 O ATOM 1254 CB ASP A 82 12.145 1.191 -18.185 1.00 22.14 C ATOM 1255 CG ASP A 82 12.295 2.426 -19.051 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.262 2.960 -19.507 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.444 2.860 -19.272 1.00 41.32 O1- ATOM 0 H ASP A 82 10.804 -0.685 -19.083 1.00 14.13 H new ATOM 0 HA ASP A 82 13.431 0.265 -19.638 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.086 1.000 -18.009 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.601 1.375 -17.212 1.00 22.14 H new ATOM 1262 N ALA A 83 12.975 -1.544 -16.920 1.00 45.42 N ATOM 1263 CA ALA A 83 13.670 -2.299 -15.884 1.00 21.54 C ATOM 1264 C ALA A 83 14.535 -3.397 -16.491 1.00 74.42 C ATOM 1265 O ALA A 83 15.620 -3.696 -15.989 1.00 71.11 O ATOM 1266 CB ALA A 83 12.670 -2.894 -14.903 1.00 12.34 C ATOM 0 H ALA A 83 11.961 -1.657 -16.916 1.00 45.42 H new ATOM 0 HA ALA A 83 14.325 -1.612 -15.347 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.203 -3.455 -14.135 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.098 -2.093 -14.436 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.992 -3.561 -15.435 1.00 12.34 H new ATOM 1272 N LEU A 84 14.050 -3.997 -17.573 1.00 41.30 N ATOM 1273 CA LEU A 84 14.780 -5.063 -18.249 1.00 72.41 C ATOM 1274 C LEU A 84 16.183 -4.605 -18.634 1.00 23.24 C ATOM 1275 O LEU A 84 17.171 -5.267 -18.322 1.00 61.34 O ATOM 1276 CB LEU A 84 14.019 -5.516 -19.497 1.00 54.12 C ATOM 1277 CG LEU A 84 13.686 -7.007 -19.576 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.954 -7.828 -19.762 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.939 -7.454 -18.328 1.00 24.15 C ATOM 0 H LEU A 84 13.154 -3.763 -18.001 1.00 41.30 H new ATOM 0 HA LEU A 84 14.869 -5.902 -17.559 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.088 -4.953 -19.555 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.608 -5.249 -20.374 1.00 54.12 H new ATOM 0 HG LEU A 84 13.041 -7.170 -20.439 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.698 -8.886 -19.816 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.450 -7.527 -20.685 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.624 -7.660 -18.919 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.710 -8.517 -18.402 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.559 -7.276 -17.449 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.011 -6.889 -18.237 1.00 24.15 H new ATOM 1291 N LYS A 85 16.261 -3.465 -19.311 1.00 13.23 N ATOM 1292 CA LYS A 85 17.543 -2.913 -19.737 1.00 53.44 C ATOM 1293 C LYS A 85 18.493 -2.771 -18.552 1.00 73.11 C ATOM 1294 O LYS A 85 19.657 -3.164 -18.628 1.00 1.12 O ATOM 1295 CB LYS A 85 17.340 -1.553 -20.408 1.00 25.42 C ATOM 1296 CG LYS A 85 17.777 -1.522 -21.861 1.00 52.24 C ATOM 1297 CD LYS A 85 17.280 -0.270 -22.565 1.00 12.13 C ATOM 1298 CE LYS A 85 17.345 -0.418 -24.079 1.00 30.01 C ATOM 1299 NZ LYS A 85 17.216 0.894 -24.770 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.452 -2.904 -19.577 1.00 13.23 H new ATOM 0 HA LYS A 85 17.986 -3.602 -20.456 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.286 -1.281 -20.348 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.896 -0.797 -19.854 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.865 -1.564 -21.916 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.397 -2.405 -22.375 1.00 52.24 H new ATOM 0 HD2 LYS A 85 16.253 -0.064 -22.262 1.00 12.13 H new ATOM 0 HD3 LYS A 85 17.881 0.585 -22.256 1.00 12.13 H new ATOM 0 HE2 LYS A 85 18.290 -0.884 -24.358 1.00 30.01 H new ATOM 0 HE3 LYS A 85 16.550 -1.084 -24.413 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 17.265 0.751 -25.799 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 16.303 1.328 -24.524 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 17.989 1.522 -24.471 1.00 0.02 H new ATOM 1313 N GLN A 86 17.988 -2.209 -17.458 1.00 11.43 N ATOM 1314 CA GLN A 86 18.793 -2.016 -16.258 1.00 53.23 C ATOM 1315 C GLN A 86 19.133 -3.353 -15.609 1.00 21.22 C ATOM 1316 O GLN A 86 20.135 -3.477 -14.907 1.00 41.42 O ATOM 1317 CB GLN A 86 18.052 -1.125 -15.259 1.00 12.42 C ATOM 1318 CG GLN A 86 17.509 0.156 -15.872 1.00 73.05 C ATOM 1319 CD GLN A 86 17.244 1.232 -14.838 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.154 1.952 -14.427 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.992 1.346 -14.411 1.00 61.43 N ATOM 0 H GLN A 86 17.026 -1.880 -17.378 1.00 11.43 H new ATOM 0 HA GLN A 86 19.723 -1.528 -16.550 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.226 -1.689 -14.825 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.727 -0.869 -14.442 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.220 0.532 -16.608 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.585 -0.065 -16.406 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.269 0.728 -14.779 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.753 2.052 -13.715 1.00 61.43 H new ATOM 1330 N GLY A 87 18.290 -4.354 -15.850 1.00 0.43 N ATOM 1331 CA GLY A 87 18.518 -5.668 -15.282 1.00 2.32 C ATOM 1332 C GLY A 87 17.876 -5.830 -13.918 1.00 44.42 C ATOM 1333 O GLY A 87 18.464 -6.420 -13.012 1.00 32.22 O ATOM 0 H GLY A 87 17.454 -4.277 -16.429 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.123 -6.426 -15.958 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.591 -5.843 -15.198 1.00 2.32 H new ATOM 1337 N LYS A 88 16.664 -5.305 -13.771 1.00 21.33 N ATOM 1338 CA LYS A 88 15.940 -5.393 -12.508 1.00 11.34 C ATOM 1339 C LYS A 88 15.353 -6.787 -12.315 1.00 1.12 C ATOM 1340 O LYS A 88 15.254 -7.278 -11.189 1.00 61.44 O ATOM 1341 CB LYS A 88 14.824 -4.347 -12.463 1.00 75.34 C ATOM 1342 CG LYS A 88 15.291 -2.943 -12.809 1.00 24.51 C ATOM 1343 CD LYS A 88 16.003 -2.289 -11.637 1.00 73.13 C ATOM 1344 CE LYS A 88 17.329 -1.675 -12.062 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.030 -1.025 -10.921 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.162 -4.814 -14.511 1.00 21.33 H new ATOM 0 HA LYS A 88 16.644 -5.199 -11.699 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.035 -4.640 -13.156 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.385 -4.339 -11.465 1.00 75.34 H new ATOM 0 HG2 LYS A 88 15.962 -2.983 -13.667 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.435 -2.335 -13.101 1.00 24.51 H new ATOM 0 HD2 LYS A 88 15.365 -1.517 -11.207 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.177 -3.030 -10.857 1.00 73.13 H new ATOM 0 HE2 LYS A 88 17.968 -2.449 -12.487 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.154 -0.939 -12.847 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 18.929 -0.619 -11.251 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 17.431 -0.269 -10.531 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.220 -1.732 -10.182 1.00 30.44 H new ATOM 1359 N ILE A 89 14.965 -7.420 -13.416 1.00 4.34 N ATOM 1360 CA ILE A 89 14.391 -8.759 -13.367 1.00 61.10 C ATOM 1361 C ILE A 89 15.404 -9.809 -13.807 1.00 40.34 C ATOM 1362 O ILE A 89 16.083 -9.644 -14.820 1.00 73.31 O ATOM 1363 CB ILE A 89 13.137 -8.866 -14.256 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.201 -7.683 -14.001 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.418 -10.183 -14.001 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.547 -7.149 -15.256 1.00 63.11 C ATOM 0 H ILE A 89 15.038 -7.027 -14.354 1.00 4.34 H new ATOM 0 HA ILE A 89 14.109 -8.944 -12.330 1.00 61.10 H new ATOM 0 HB ILE A 89 13.447 -8.840 -15.301 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.425 -7.988 -13.299 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.764 -6.880 -13.525 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.534 -10.244 -14.636 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.087 -11.013 -14.229 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.117 -10.237 -12.955 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.897 -6.312 -15.000 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.316 -6.812 -15.952 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.956 -7.937 -15.722 1.00 63.11 H new ATOM 1378 N GLU A 90 15.499 -10.890 -13.040 1.00 44.31 N ATOM 1379 CA GLU A 90 16.429 -11.968 -13.352 1.00 3.44 C ATOM 1380 C GLU A 90 15.734 -13.077 -14.136 1.00 63.21 C ATOM 1381 O GLU A 90 14.539 -13.317 -13.965 1.00 12.42 O ATOM 1382 CB GLU A 90 17.034 -12.539 -12.067 1.00 21.54 C ATOM 1383 CG GLU A 90 18.515 -12.244 -11.907 1.00 21.32 C ATOM 1384 CD GLU A 90 19.334 -13.494 -11.646 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.356 -13.956 -10.486 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.953 -14.008 -12.601 1.00 73.11 O1- ATOM 0 H GLU A 90 14.943 -11.042 -12.198 1.00 44.31 H new ATOM 0 HA GLU A 90 17.228 -11.556 -13.969 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.497 -12.132 -11.211 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.884 -13.619 -12.053 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.884 -11.754 -12.808 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.655 -11.544 -11.084 1.00 21.32 H new ATOM 1393 N LEU A 91 16.491 -13.749 -14.996 1.00 41.35 N ATOM 1394 CA LEU A 91 15.949 -14.833 -15.808 1.00 12.31 C ATOM 1395 C LEU A 91 16.581 -16.168 -15.426 1.00 71.23 C ATOM 1396 O LEU A 91 17.800 -16.326 -15.475 1.00 24.34 O ATOM 1397 CB LEU A 91 16.184 -14.551 -17.294 1.00 34.35 C ATOM 1398 CG LEU A 91 15.731 -13.179 -17.796 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.149 -12.977 -19.244 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.224 -13.028 -17.647 1.00 15.23 C ATOM 0 H LEU A 91 17.482 -13.562 -15.149 1.00 41.35 H new ATOM 0 HA LEU A 91 14.877 -14.893 -15.621 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.249 -14.658 -17.500 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.669 -15.316 -17.875 1.00 34.35 H new ATOM 0 HG LEU A 91 16.214 -12.413 -17.190 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.818 -11.996 -19.585 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.234 -13.042 -19.322 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.694 -13.749 -19.865 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.919 -12.046 -18.009 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.722 -13.801 -18.228 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.950 -13.129 -16.597 1.00 15.23 H new ATOM 1412 N SER A 92 15.741 -17.127 -15.048 1.00 62.30 N ATOM 1413 CA SER A 92 16.217 -18.449 -14.658 1.00 12.01 C ATOM 1414 C SER A 92 15.375 -19.543 -15.305 1.00 53.43 C ATOM 1415 O SER A 92 14.182 -19.364 -15.546 1.00 42.11 O ATOM 1416 CB SER A 92 16.183 -18.596 -13.134 1.00 32.04 C ATOM 1417 OG SER A 92 16.600 -19.891 -12.738 1.00 24.24 O ATOM 0 H SER A 92 14.728 -17.013 -15.004 1.00 62.30 H new ATOM 0 HA SER A 92 17.245 -18.555 -15.004 1.00 12.01 H new ATOM 0 HB2 SER A 92 16.831 -17.847 -12.679 1.00 32.04 H new ATOM 0 HB3 SER A 92 15.173 -18.408 -12.770 1.00 32.04 H new ATOM 0 HG SER A 92 16.571 -19.959 -11.761 1.00 24.24 H new ATOM 1423 N GLY A 93 16.006 -20.680 -15.584 1.00 72.14 N ATOM 1424 CA GLY A 93 15.301 -21.788 -16.202 1.00 41.14 C ATOM 1425 C GLY A 93 14.968 -21.525 -17.657 1.00 52.41 C ATOM 1426 O GLY A 93 15.653 -22.014 -18.555 1.00 72.03 O ATOM 0 H GLY A 93 16.993 -20.853 -15.393 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.911 -22.688 -16.129 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.381 -21.981 -15.651 1.00 41.14 H new ATOM 1430 N ASP A 94 13.913 -20.751 -17.891 1.00 50.01 N ATOM 1431 CA ASP A 94 13.491 -20.425 -19.248 1.00 42.00 C ATOM 1432 C ASP A 94 13.228 -18.929 -19.390 1.00 61.22 C ATOM 1433 O ASP A 94 12.134 -18.450 -19.094 1.00 24.31 O ATOM 1434 CB ASP A 94 12.234 -21.214 -19.618 1.00 44.20 C ATOM 1435 CG ASP A 94 12.424 -22.055 -20.865 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.526 -22.040 -21.732 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.470 -22.728 -20.971 1.00 42.01 O1- ATOM 0 H ASP A 94 13.335 -20.338 -17.159 1.00 50.01 H new ATOM 0 HA ASP A 94 14.296 -20.701 -19.929 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.957 -21.861 -18.786 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.407 -20.522 -19.773 1.00 44.20 H new ATOM 1442 N ALA A 95 14.240 -18.196 -19.843 1.00 52.22 N ATOM 1443 CA ALA A 95 14.118 -16.755 -20.024 1.00 61.03 C ATOM 1444 C ALA A 95 13.073 -16.422 -21.085 1.00 63.24 C ATOM 1445 O ALA A 95 12.485 -15.339 -21.072 1.00 24.01 O ATOM 1446 CB ALA A 95 15.464 -16.154 -20.402 1.00 22.22 C ATOM 0 H ALA A 95 15.153 -18.577 -20.091 1.00 52.22 H new ATOM 0 HA ALA A 95 13.791 -16.322 -19.079 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.358 -15.077 -20.534 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.186 -16.353 -19.610 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.813 -16.601 -21.333 1.00 22.22 H new ATOM 1452 N ASP A 96 12.847 -17.357 -22.000 1.00 31.21 N ATOM 1453 CA ASP A 96 11.872 -17.162 -23.067 1.00 63.04 C ATOM 1454 C ASP A 96 10.458 -17.072 -22.502 1.00 71.11 C ATOM 1455 O ASP A 96 9.715 -16.139 -22.807 1.00 42.54 O ATOM 1456 CB ASP A 96 11.958 -18.306 -24.079 1.00 13.52 C ATOM 1457 CG ASP A 96 11.365 -17.934 -25.425 1.00 14.13 C ATOM 1458 OD1 ASP A 96 11.782 -18.526 -26.442 1.00 42.02 O ATOM 1459 OD2 ASP A 96 10.482 -17.051 -25.459 1.00 51.14 O1- ATOM 0 H ASP A 96 13.325 -18.258 -22.025 1.00 31.21 H new ATOM 0 HA ASP A 96 12.103 -16.223 -23.570 1.00 63.04 H new ATOM 0 HB2 ASP A 96 13.001 -18.592 -24.211 1.00 13.52 H new ATOM 0 HB3 ASP A 96 11.436 -19.177 -23.683 1.00 13.52 H new ATOM 1464 N LEU A 97 10.093 -18.048 -21.677 1.00 21.24 N ATOM 1465 CA LEU A 97 8.767 -18.080 -21.070 1.00 53.03 C ATOM 1466 C LEU A 97 8.484 -16.786 -20.313 1.00 34.03 C ATOM 1467 O LEU A 97 7.416 -16.192 -20.455 1.00 22.40 O ATOM 1468 CB LEU A 97 8.646 -19.276 -20.123 1.00 23.04 C ATOM 1469 CG LEU A 97 7.643 -20.355 -20.529 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.725 -21.542 -19.583 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.230 -19.787 -20.554 1.00 13.34 C ATOM 0 H LEU A 97 10.696 -18.827 -21.413 1.00 21.24 H new ATOM 0 HA LEU A 97 8.031 -18.181 -21.868 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.628 -19.739 -20.027 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.371 -18.906 -19.136 1.00 23.04 H new ATOM 0 HG LEU A 97 7.893 -20.698 -21.533 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.004 -22.300 -19.887 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.730 -21.963 -19.614 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.500 -21.214 -18.568 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.529 -20.569 -20.845 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.969 -19.416 -19.563 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.179 -18.969 -21.272 1.00 13.34 H new ATOM 1483 N ALA A 98 9.449 -16.355 -19.507 1.00 51.02 N ATOM 1484 CA ALA A 98 9.307 -15.129 -18.730 1.00 72.21 C ATOM 1485 C ALA A 98 9.386 -13.899 -19.627 1.00 74.34 C ATOM 1486 O ALA A 98 8.767 -12.873 -19.346 1.00 70.15 O ATOM 1487 CB ALA A 98 10.371 -15.065 -17.646 1.00 43.44 C ATOM 0 H ALA A 98 10.338 -16.837 -19.375 1.00 51.02 H new ATOM 0 HA ALA A 98 8.325 -15.139 -18.258 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.253 -14.145 -17.074 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.265 -15.922 -16.981 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.360 -15.083 -18.105 1.00 43.44 H new ATOM 1493 N ALA A 99 10.153 -14.008 -20.707 1.00 41.25 N ATOM 1494 CA ALA A 99 10.313 -12.904 -21.646 1.00 41.24 C ATOM 1495 C ALA A 99 8.979 -12.524 -22.278 1.00 64.45 C ATOM 1496 O ALA A 99 8.642 -11.345 -22.382 1.00 63.22 O ATOM 1497 CB ALA A 99 11.325 -13.268 -22.721 1.00 14.33 C ATOM 0 H ALA A 99 10.673 -14.850 -20.953 1.00 41.25 H new ATOM 0 HA ALA A 99 10.682 -12.040 -21.094 1.00 41.24 H new ATOM 0 HB1 ALA A 99 11.434 -12.435 -23.415 1.00 14.33 H new ATOM 0 HB2 ALA A 99 12.288 -13.482 -22.257 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.979 -14.148 -23.263 1.00 14.33 H new ATOM 1503 N LYS A 100 8.221 -13.531 -22.700 1.00 1.23 N ATOM 1504 CA LYS A 100 6.923 -13.304 -23.323 1.00 72.44 C ATOM 1505 C LYS A 100 6.031 -12.452 -22.425 1.00 13.34 C ATOM 1506 O LYS A 100 5.330 -11.556 -22.898 1.00 61.21 O ATOM 1507 CB LYS A 100 6.238 -14.638 -23.623 1.00 31.43 C ATOM 1508 CG LYS A 100 5.129 -14.534 -24.657 1.00 4.53 C ATOM 1509 CD LYS A 100 4.602 -15.904 -25.049 1.00 22.41 C ATOM 1510 CE LYS A 100 4.305 -15.983 -26.539 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.237 -15.027 -26.943 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.484 -14.513 -22.621 1.00 1.23 H new ATOM 0 HA LYS A 100 7.085 -12.768 -24.258 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.985 -15.350 -23.974 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.824 -15.041 -22.698 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.314 -13.930 -24.258 1.00 4.53 H new ATOM 0 HG3 LYS A 100 5.503 -14.020 -25.542 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.334 -16.666 -24.782 1.00 22.41 H new ATOM 0 HD3 LYS A 100 3.695 -16.121 -24.484 1.00 22.41 H new ATOM 0 HE2 LYS A 100 5.214 -15.771 -27.102 1.00 35.11 H new ATOM 0 HE3 LYS A 100 4.000 -16.998 -26.795 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 3.028 -15.147 -27.955 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.377 -15.212 -26.388 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.559 -14.053 -26.769 1.00 40.13 H new ATOM 1525 N LEU A 101 6.061 -12.736 -21.128 1.00 12.30 N ATOM 1526 CA LEU A 101 5.256 -11.996 -20.163 1.00 3.23 C ATOM 1527 C LEU A 101 5.519 -10.498 -20.270 1.00 62.45 C ATOM 1528 O LEU A 101 4.590 -9.691 -20.264 1.00 14.21 O ATOM 1529 CB LEU A 101 5.556 -12.478 -18.743 1.00 62.20 C ATOM 1530 CG LEU A 101 4.429 -13.237 -18.040 1.00 45.40 C ATOM 1531 CD1 LEU A 101 3.282 -12.299 -17.702 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.942 -14.389 -18.906 1.00 34.24 C ATOM 0 H LEU A 101 6.635 -13.474 -20.720 1.00 12.30 H new ATOM 0 HA LEU A 101 4.205 -12.179 -20.387 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.435 -13.122 -18.777 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.819 -11.612 -18.135 1.00 62.20 H new ATOM 0 HG LEU A 101 4.819 -13.648 -17.109 1.00 45.40 H new ATOM 0 HD11 LEU A 101 2.490 -12.858 -17.203 1.00 50.44 H new ATOM 0 HD12 LEU A 101 3.640 -11.509 -17.042 1.00 50.44 H new ATOM 0 HD13 LEU A 101 2.891 -11.857 -18.619 1.00 50.44 H new ATOM 0 HD21 LEU A 101 3.140 -14.918 -18.391 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.569 -14.000 -19.853 1.00 34.24 H new ATOM 0 HD23 LEU A 101 4.767 -15.076 -19.095 1.00 34.24 H new ATOM 1544 N ALA A 102 6.793 -10.131 -20.370 1.00 31.42 N ATOM 1545 CA ALA A 102 7.179 -8.731 -20.483 1.00 1.32 C ATOM 1546 C ALA A 102 6.406 -8.037 -21.599 1.00 62.44 C ATOM 1547 O ALA A 102 5.778 -7.001 -21.380 1.00 20.35 O ATOM 1548 CB ALA A 102 8.676 -8.614 -20.724 1.00 64.24 C ATOM 0 H ALA A 102 7.575 -10.785 -20.375 1.00 31.42 H new ATOM 0 HA ALA A 102 6.934 -8.235 -19.544 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.950 -7.562 -20.806 1.00 64.24 H new ATOM 0 HB2 ALA A 102 9.215 -9.065 -19.891 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.937 -9.130 -21.648 1.00 64.24 H new ATOM 1554 N GLU A 103 6.457 -8.614 -22.795 1.00 45.13 N ATOM 1555 CA GLU A 103 5.761 -8.048 -23.946 1.00 0.13 C ATOM 1556 C GLU A 103 4.270 -7.892 -23.657 1.00 54.13 C ATOM 1557 O GLU A 103 3.615 -6.994 -24.188 1.00 43.44 O ATOM 1558 CB GLU A 103 5.963 -8.933 -25.177 1.00 65.34 C ATOM 1559 CG GLU A 103 4.825 -9.912 -25.418 1.00 71.40 C ATOM 1560 CD GLU A 103 3.680 -9.295 -26.196 1.00 43.23 C ATOM 1561 OE1 GLU A 103 2.512 -9.557 -25.838 1.00 35.33 O ATOM 1562 OE2 GLU A 103 3.950 -8.551 -27.162 1.00 44.42 O1- ATOM 0 H GLU A 103 6.972 -9.472 -22.993 1.00 45.13 H new ATOM 0 HA GLU A 103 6.181 -7.062 -24.144 1.00 0.13 H new ATOM 0 HB2 GLU A 103 6.077 -8.298 -26.056 1.00 65.34 H new ATOM 0 HB3 GLU A 103 6.893 -9.491 -25.064 1.00 65.34 H new ATOM 0 HG2 GLU A 103 5.204 -10.777 -25.962 1.00 71.40 H new ATOM 0 HG3 GLU A 103 4.454 -10.275 -24.460 1.00 71.40 H new ATOM 1569 N VAL A 104 3.741 -8.772 -22.813 1.00 33.41 N ATOM 1570 CA VAL A 104 2.329 -8.732 -22.453 1.00 23.33 C ATOM 1571 C VAL A 104 2.059 -7.661 -21.404 1.00 20.50 C ATOM 1572 O VAL A 104 0.967 -7.094 -21.347 1.00 4.15 O ATOM 1573 CB VAL A 104 1.848 -10.094 -21.917 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.332 -10.119 -21.807 1.00 74.10 C ATOM 1575 CG2 VAL A 104 2.346 -11.223 -22.806 1.00 43.11 C ATOM 0 H VAL A 104 4.269 -9.521 -22.366 1.00 33.41 H new ATOM 0 HA VAL A 104 1.777 -8.492 -23.362 1.00 23.33 H new ATOM 0 HB VAL A 104 2.263 -10.239 -20.919 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.011 -11.089 -21.427 1.00 74.10 H new ATOM 0 HG12 VAL A 104 0.004 -9.335 -21.125 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -0.107 -9.951 -22.791 1.00 74.10 H new ATOM 0 HG21 VAL A 104 1.997 -12.177 -22.412 1.00 43.11 H new ATOM 0 HG22 VAL A 104 1.963 -11.086 -23.817 1.00 43.11 H new ATOM 0 HG23 VAL A 104 3.436 -11.216 -22.827 1.00 43.11 H new ATOM 1585 N ILE A 105 3.061 -7.386 -20.575 1.00 64.50 N ATOM 1586 CA ILE A 105 2.932 -6.381 -19.528 1.00 64.45 C ATOM 1587 C ILE A 105 3.021 -4.971 -20.105 1.00 25.40 C ATOM 1588 O ILE A 105 2.462 -4.025 -19.549 1.00 74.01 O ATOM 1589 CB ILE A 105 4.017 -6.550 -18.448 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.833 -7.880 -17.714 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.975 -5.387 -17.468 1.00 10.31 C ATOM 1592 CD1 ILE A 105 5.123 -8.454 -17.171 1.00 20.20 C ATOM 0 H ILE A 105 3.971 -7.846 -20.609 1.00 64.50 H new ATOM 0 HA ILE A 105 1.952 -6.524 -19.073 1.00 64.45 H new ATOM 0 HB ILE A 105 4.994 -6.556 -18.932 1.00 25.25 H new ATOM 0 HG12 ILE A 105 3.133 -7.737 -16.891 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.382 -8.602 -18.395 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.748 -5.521 -16.711 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.149 -4.454 -18.003 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.998 -5.352 -16.987 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.917 -9.396 -16.663 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.818 -8.629 -17.993 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.565 -7.751 -16.465 1.00 20.20 H new