USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 66 MET CE :methyl 152:sc= -0.494 (180deg=-0.918) USER MOD Set 1.2: A 85 MET CE :methyl -145:sc= -3.44! (180deg=-3.87!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -111:sc= -0.0293 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 28 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.59) USER MOD Single : A 30 TYR OH : rot 90:sc= -0.502 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 46 MET CE :methyl -155:sc= -0.328 (180deg=-0.999) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.52) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.401 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 65 THR OG1 : rot 118:sc= 1.22 USER MOD Single : A 71 MET CE :methyl -165:sc= -2.96 (180deg=-4.39!) USER MOD Single : A 76 THR OG1 : rot -26:sc= 1.05 USER MOD Single : A 82 LYS NZ :NH3+ 146:sc=-0.00477 (180deg=-0.221) USER MOD Single : A 87 GLN : amide:sc= -0.428 K(o=-0.43,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -109:sc= -1.35 (180deg=-4.88!) USER MOD Single : A 95 GLN : amide:sc= -0.525 K(o=-0.53,f=-1.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 10.423 -3.132 -1.033 1.00 74.23 N ATOM 49 CA LYS A 4 11.083 -3.710 -2.198 1.00 53.11 C ATOM 50 C LYS A 4 10.971 -5.231 -2.186 1.00 23.13 C ATOM 51 O LYS A 4 10.876 -5.864 -3.238 1.00 33.14 O ATOM 52 CB LYS A 4 12.556 -3.297 -2.233 1.00 4.34 C ATOM 53 CG LYS A 4 12.765 -1.793 -2.200 1.00 14.11 C ATOM 54 CD LYS A 4 13.184 -1.258 -3.561 1.00 62.11 C ATOM 55 CE LYS A 4 12.089 -0.405 -4.184 1.00 4.50 C ATOM 56 NZ LYS A 4 12.177 -0.390 -5.670 1.00 25.42 N1+ ATOM 0 HA LYS A 4 10.585 -3.333 -3.091 1.00 53.11 H new ATOM 0 HB2 LYS A 4 13.071 -3.746 -1.384 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.017 -3.700 -3.135 1.00 4.34 H new ATOM 0 HG2 LYS A 4 11.844 -1.304 -1.883 1.00 14.11 H new ATOM 0 HG3 LYS A 4 13.527 -1.547 -1.461 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.093 -0.666 -3.457 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.420 -2.090 -4.224 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.114 -0.788 -3.882 1.00 4.50 H new ATOM 0 HE3 LYS A 4 12.163 0.614 -3.805 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.414 0.202 -6.057 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 13.097 -0.001 -5.959 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.081 -1.360 -6.033 1.00 25.42 H new ATOM 70 N SER A 5 10.983 -5.812 -0.991 1.00 45.41 N ATOM 71 CA SER A 5 10.886 -7.260 -0.843 1.00 45.22 C ATOM 72 C SER A 5 9.797 -7.826 -1.749 1.00 54.53 C ATOM 73 O SER A 5 9.865 -8.979 -2.175 1.00 44.30 O ATOM 74 CB SER A 5 10.595 -7.626 0.613 1.00 53.55 C ATOM 75 OG SER A 5 9.213 -7.505 0.903 1.00 22.21 O ATOM 0 H SER A 5 11.059 -5.302 -0.111 1.00 45.41 H new ATOM 0 HA SER A 5 11.841 -7.696 -1.136 1.00 45.22 H new ATOM 0 HB2 SER A 5 10.922 -8.647 0.807 1.00 53.55 H new ATOM 0 HB3 SER A 5 11.167 -6.977 1.276 1.00 53.55 H new ATOM 0 HG SER A 5 9.072 -6.756 1.519 1.00 22.21 H new ATOM 81 N ASP A 6 8.793 -7.007 -2.041 1.00 52.44 N ATOM 82 CA ASP A 6 7.689 -7.423 -2.897 1.00 71.01 C ATOM 83 C ASP A 6 8.207 -7.965 -4.227 1.00 21.35 C ATOM 84 O ASP A 6 7.782 -9.026 -4.683 1.00 22.51 O ATOM 85 CB ASP A 6 6.737 -6.252 -3.145 1.00 22.02 C ATOM 86 CG ASP A 6 7.385 -5.140 -3.947 1.00 15.21 C ATOM 87 OD1 ASP A 6 8.565 -4.830 -3.685 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 6.710 -4.580 -4.836 1.00 43.34 O ATOM 0 H ASP A 6 8.721 -6.050 -1.697 1.00 52.44 H new ATOM 0 HA ASP A 6 7.147 -8.219 -2.387 1.00 71.01 H new ATOM 0 HB2 ASP A 6 5.854 -6.611 -3.674 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.396 -5.855 -2.189 1.00 22.02 H new ATOM 93 N GLU A 7 9.126 -7.228 -4.841 1.00 34.23 N ATOM 94 CA GLU A 7 9.700 -7.635 -6.119 1.00 34.02 C ATOM 95 C GLU A 7 10.240 -9.060 -6.044 1.00 65.44 C ATOM 96 O GLU A 7 10.117 -9.833 -6.994 1.00 4.31 O ATOM 97 CB GLU A 7 10.820 -6.675 -6.529 1.00 60.23 C ATOM 98 CG GLU A 7 10.850 -6.375 -8.019 1.00 53.31 C ATOM 99 CD GLU A 7 9.711 -5.474 -8.455 1.00 52.50 C ATOM 100 OE1 GLU A 7 9.639 -4.328 -7.965 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 8.892 -5.916 -9.289 1.00 42.03 O ATOM 0 H GLU A 7 9.489 -6.348 -4.476 1.00 34.23 H new ATOM 0 HA GLU A 7 8.910 -7.603 -6.869 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.704 -5.740 -5.981 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.779 -7.101 -6.233 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.799 -5.903 -8.272 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.802 -7.311 -8.575 1.00 53.31 H new ATOM 108 N VAL A 8 10.840 -9.401 -4.909 1.00 74.30 N ATOM 109 CA VAL A 8 11.399 -10.732 -4.709 1.00 35.34 C ATOM 110 C VAL A 8 10.386 -11.813 -5.072 1.00 41.31 C ATOM 111 O VAL A 8 10.615 -12.614 -5.979 1.00 60.20 O ATOM 112 CB VAL A 8 11.852 -10.939 -3.251 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.237 -12.390 -3.011 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.008 -10.008 -2.917 1.00 74.14 C ATOM 0 H VAL A 8 10.952 -8.773 -4.113 1.00 74.30 H new ATOM 0 HA VAL A 8 12.265 -10.813 -5.365 1.00 35.34 H new ATOM 0 HB VAL A 8 11.018 -10.698 -2.591 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.554 -12.516 -1.976 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.378 -13.032 -3.208 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.055 -12.664 -3.677 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.316 -10.167 -1.884 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.846 -10.216 -3.582 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.691 -8.973 -3.046 1.00 74.14 H new ATOM 124 N PHE A 9 9.265 -11.830 -4.357 1.00 5.40 N ATOM 125 CA PHE A 9 8.217 -12.814 -4.604 1.00 4.42 C ATOM 126 C PHE A 9 7.847 -12.854 -6.084 1.00 14.12 C ATOM 127 O PHE A 9 7.672 -13.927 -6.662 1.00 72.03 O ATOM 128 CB PHE A 9 6.979 -12.491 -3.765 1.00 14.30 C ATOM 129 CG PHE A 9 7.261 -12.390 -2.294 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.538 -13.524 -1.549 1.00 64.03 C ATOM 131 CD2 PHE A 9 7.248 -11.160 -1.655 1.00 71.40 C ATOM 132 CE1 PHE A 9 7.799 -13.435 -0.195 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.508 -11.064 -0.302 1.00 70.23 C ATOM 134 CZ PHE A 9 7.783 -12.203 0.430 1.00 3.11 C ATOM 0 H PHE A 9 9.059 -11.174 -3.603 1.00 5.40 H new ATOM 0 HA PHE A 9 8.597 -13.794 -4.316 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.552 -11.550 -4.110 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.227 -13.262 -3.930 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.550 -14.490 -2.032 1.00 64.03 H new ATOM 0 HD2 PHE A 9 7.032 -10.266 -2.222 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.015 -14.327 0.374 1.00 45.45 H new ATOM 0 HE2 PHE A 9 7.496 -10.099 0.183 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.985 -12.130 1.488 1.00 3.11 H new ATOM 144 N ALA A 10 7.729 -11.678 -6.690 1.00 54.15 N ATOM 145 CA ALA A 10 7.382 -11.578 -8.103 1.00 71.40 C ATOM 146 C ALA A 10 8.427 -12.263 -8.976 1.00 23.42 C ATOM 147 O ALA A 10 8.091 -12.997 -9.905 1.00 32.34 O ATOM 148 CB ALA A 10 7.227 -10.119 -8.506 1.00 11.12 C ATOM 0 H ALA A 10 7.868 -10.781 -6.225 1.00 54.15 H new ATOM 0 HA ALA A 10 6.431 -12.088 -8.255 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.968 -10.059 -9.563 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.437 -9.659 -7.912 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.165 -9.592 -8.332 1.00 11.12 H new ATOM 154 N LYS A 11 9.697 -12.019 -8.671 1.00 53.04 N ATOM 155 CA LYS A 11 10.793 -12.613 -9.427 1.00 71.11 C ATOM 156 C LYS A 11 10.691 -14.134 -9.430 1.00 34.23 C ATOM 157 O LYS A 11 10.763 -14.768 -10.484 1.00 35.32 O ATOM 158 CB LYS A 11 12.139 -12.183 -8.836 1.00 75.32 C ATOM 159 CG LYS A 11 12.653 -10.865 -9.390 1.00 51.04 C ATOM 160 CD LYS A 11 13.924 -10.422 -8.685 1.00 31.12 C ATOM 161 CE LYS A 11 13.994 -8.907 -8.562 1.00 2.51 C ATOM 162 NZ LYS A 11 15.319 -8.452 -8.060 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.993 -11.414 -7.905 1.00 53.04 H new ATOM 0 HA LYS A 11 10.724 -12.260 -10.456 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.041 -12.099 -7.754 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.877 -12.962 -9.030 1.00 75.32 H new ATOM 0 HG2 LYS A 11 12.845 -10.968 -10.458 1.00 51.04 H new ATOM 0 HG3 LYS A 11 11.887 -10.098 -9.277 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.966 -10.871 -7.693 1.00 31.12 H new ATOM 0 HD3 LYS A 11 14.792 -10.784 -9.236 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.799 -8.454 -9.534 1.00 2.51 H new ATOM 0 HE3 LYS A 11 13.211 -8.561 -7.887 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 15.326 -7.414 -7.990 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 15.494 -8.863 -7.121 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 16.064 -8.760 -8.717 1.00 32.05 H new ATOM 176 N ILE A 12 10.523 -14.714 -8.247 1.00 21.10 N ATOM 177 CA ILE A 12 10.408 -16.161 -8.115 1.00 64.54 C ATOM 178 C ILE A 12 9.250 -16.699 -8.950 1.00 34.03 C ATOM 179 O ILE A 12 9.409 -17.658 -9.705 1.00 74.53 O ATOM 180 CB ILE A 12 10.203 -16.578 -6.646 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.467 -16.293 -5.832 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.832 -18.051 -6.560 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.313 -16.585 -4.355 1.00 2.33 C ATOM 0 H ILE A 12 10.463 -14.204 -7.366 1.00 21.10 H new ATOM 0 HA ILE A 12 11.344 -16.586 -8.478 1.00 64.54 H new ATOM 0 HB ILE A 12 9.384 -15.993 -6.228 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.287 -16.891 -6.229 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.744 -15.247 -5.960 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.691 -18.330 -5.516 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.908 -18.226 -7.111 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.631 -18.653 -6.992 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.247 -16.360 -3.840 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.514 -15.968 -3.943 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.066 -17.638 -4.216 1.00 2.33 H new ATOM 195 N ALA A 13 8.086 -16.074 -8.809 1.00 52.24 N ATOM 196 CA ALA A 13 6.903 -16.488 -9.553 1.00 63.33 C ATOM 197 C ALA A 13 7.150 -16.425 -11.057 1.00 65.53 C ATOM 198 O ALA A 13 6.947 -17.406 -11.772 1.00 52.01 O ATOM 199 CB ALA A 13 5.712 -15.619 -9.177 1.00 65.33 C ATOM 0 H ALA A 13 7.937 -15.280 -8.187 1.00 52.24 H new ATOM 0 HA ALA A 13 6.683 -17.522 -9.289 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.836 -15.939 -9.740 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.513 -15.716 -8.110 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.933 -14.578 -9.411 1.00 65.33 H new ATOM 205 N LYS A 14 7.589 -15.264 -11.532 1.00 61.31 N ATOM 206 CA LYS A 14 7.866 -15.072 -12.950 1.00 24.13 C ATOM 207 C LYS A 14 8.803 -16.156 -13.474 1.00 74.23 C ATOM 208 O LYS A 14 8.803 -16.469 -14.665 1.00 64.00 O ATOM 209 CB LYS A 14 8.482 -13.692 -13.190 1.00 55.21 C ATOM 210 CG LYS A 14 8.920 -13.463 -14.626 1.00 43.13 C ATOM 211 CD LYS A 14 9.159 -11.989 -14.906 1.00 15.10 C ATOM 212 CE LYS A 14 7.866 -11.272 -15.263 1.00 0.23 C ATOM 213 NZ LYS A 14 7.967 -10.560 -16.567 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.761 -14.441 -10.954 1.00 61.31 H new ATOM 0 HA LYS A 14 6.922 -15.140 -13.490 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.757 -12.927 -12.914 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.342 -13.568 -12.532 1.00 55.21 H new ATOM 0 HG2 LYS A 14 9.833 -14.025 -14.823 1.00 43.13 H new ATOM 0 HG3 LYS A 14 8.158 -13.845 -15.305 1.00 43.13 H new ATOM 0 HD2 LYS A 14 9.607 -11.519 -14.030 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.872 -11.884 -15.724 1.00 15.10 H new ATOM 0 HE2 LYS A 14 7.051 -11.994 -15.306 1.00 0.23 H new ATOM 0 HE3 LYS A 14 7.618 -10.558 -14.478 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 7.065 -10.084 -16.774 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 8.728 -9.853 -16.518 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 8.178 -11.245 -17.321 1.00 52.31 H new ATOM 227 N ARG A 15 9.600 -16.727 -12.576 1.00 24.20 N ATOM 228 CA ARG A 15 10.542 -17.775 -12.947 1.00 2.23 C ATOM 229 C ARG A 15 9.826 -19.112 -13.122 1.00 74.55 C ATOM 230 O ARG A 15 10.240 -19.949 -13.925 1.00 13.42 O ATOM 231 CB ARG A 15 11.637 -17.907 -11.887 1.00 52.33 C ATOM 232 CG ARG A 15 13.000 -18.257 -12.460 1.00 60.13 C ATOM 233 CD ARG A 15 13.508 -17.170 -13.395 1.00 64.22 C ATOM 234 NE ARG A 15 13.474 -17.593 -14.794 1.00 31.41 N ATOM 235 CZ ARG A 15 13.571 -16.752 -15.818 1.00 3.45 C ATOM 236 NH1 ARG A 15 13.707 -15.452 -15.602 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 13.532 -17.213 -17.061 1.00 54.20 N ATOM 0 H ARG A 15 9.612 -16.481 -11.586 1.00 24.20 H new ATOM 0 HA ARG A 15 10.998 -17.498 -13.897 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.713 -16.969 -11.337 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.346 -18.674 -11.170 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.712 -18.401 -11.647 1.00 60.13 H new ATOM 0 HG3 ARG A 15 12.937 -19.202 -12.999 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.901 -16.273 -13.272 1.00 64.22 H new ATOM 0 HD3 ARG A 15 14.529 -16.904 -13.121 1.00 64.22 H new ATOM 0 HE ARG A 15 13.370 -18.588 -14.995 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.738 -15.094 -14.647 1.00 71.10 H new ATOM 0 HH12 ARG A 15 13.781 -14.809 -16.390 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.428 -18.213 -17.231 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.606 -16.567 -17.847 1.00 54.20 H new ATOM 251 N LEU A 16 8.751 -19.305 -12.365 1.00 62.42 N ATOM 252 CA LEU A 16 7.978 -20.540 -12.436 1.00 42.54 C ATOM 253 C LEU A 16 7.199 -20.621 -13.744 1.00 3.14 C ATOM 254 O LEU A 16 6.773 -21.699 -14.159 1.00 45.05 O ATOM 255 CB LEU A 16 7.016 -20.630 -11.250 1.00 71.15 C ATOM 256 CG LEU A 16 7.536 -20.083 -9.920 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.509 -20.296 -8.818 1.00 44.00 C ATOM 258 CD2 LEU A 16 8.859 -20.739 -9.555 1.00 22.33 C ATOM 0 H LEU A 16 8.395 -18.623 -11.696 1.00 62.42 H new ATOM 0 HA LEU A 16 8.674 -21.378 -12.397 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.102 -20.094 -11.508 1.00 71.15 H new ATOM 0 HB3 LEU A 16 6.743 -21.676 -11.108 1.00 71.15 H new ATOM 0 HG LEU A 16 7.704 -19.012 -10.029 1.00 53.24 H new ATOM 0 HD11 LEU A 16 6.896 -19.901 -7.879 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.585 -19.778 -9.076 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.309 -21.362 -8.708 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.214 -20.338 -8.606 1.00 22.33 H new ATOM 0 HD22 LEU A 16 8.718 -21.816 -9.464 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.594 -20.534 -10.333 1.00 22.33 H new ATOM 270 N GLU A 17 7.020 -19.474 -14.393 1.00 24.21 N ATOM 271 CA GLU A 17 6.295 -19.416 -15.655 1.00 73.03 C ATOM 272 C GLU A 17 6.935 -20.333 -16.694 1.00 53.54 C ATOM 273 O GLU A 17 6.296 -20.724 -17.671 1.00 53.11 O ATOM 274 CB GLU A 17 6.255 -17.980 -16.183 1.00 62.44 C ATOM 275 CG GLU A 17 5.737 -16.974 -15.169 1.00 32.22 C ATOM 276 CD GLU A 17 5.802 -15.547 -15.678 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.665 -15.262 -16.534 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.990 -14.716 -15.220 1.00 71.21 O1- ATOM 0 H GLU A 17 7.368 -18.573 -14.064 1.00 24.21 H new ATOM 0 HA GLU A 17 5.276 -19.757 -15.473 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.258 -17.687 -16.493 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.624 -17.946 -17.071 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.706 -17.218 -14.914 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.320 -17.056 -14.251 1.00 32.22 H new ATOM 285 N SER A 18 8.200 -20.672 -16.474 1.00 60.23 N ATOM 286 CA SER A 18 8.930 -21.540 -17.392 1.00 50.12 C ATOM 287 C SER A 18 8.807 -23.002 -16.973 1.00 44.52 C ATOM 288 O SER A 18 9.030 -23.909 -17.773 1.00 12.43 O ATOM 289 CB SER A 18 10.405 -21.136 -17.446 1.00 53.43 C ATOM 290 OG SER A 18 10.991 -21.507 -18.681 1.00 62.03 O ATOM 0 H SER A 18 8.742 -20.359 -15.668 1.00 60.23 H new ATOM 0 HA SER A 18 8.493 -21.427 -18.384 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.495 -20.059 -17.306 1.00 53.43 H new ATOM 0 HB3 SER A 18 10.945 -21.610 -16.627 1.00 53.43 H new ATOM 0 HG SER A 18 11.933 -21.236 -18.691 1.00 62.03 H new ATOM 296 N ILE A 19 8.450 -23.220 -15.711 1.00 61.30 N ATOM 297 CA ILE A 19 8.296 -24.571 -15.184 1.00 41.24 C ATOM 298 C ILE A 19 7.386 -25.408 -16.077 1.00 31.14 C ATOM 299 O ILE A 19 6.166 -25.243 -16.064 1.00 72.51 O ATOM 300 CB ILE A 19 7.722 -24.554 -13.755 1.00 11.12 C ATOM 301 CG1 ILE A 19 8.768 -24.033 -12.768 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.258 -25.948 -13.355 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.213 -23.761 -11.387 1.00 70.51 C ATOM 0 H ILE A 19 8.262 -22.479 -15.035 1.00 61.30 H new ATOM 0 HA ILE A 19 9.290 -25.018 -15.162 1.00 41.24 H new ATOM 0 HB ILE A 19 6.862 -23.884 -13.732 1.00 11.12 H new ATOM 0 HG12 ILE A 19 9.576 -24.761 -12.689 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.203 -23.115 -13.163 1.00 33.03 H new ATOM 0 HG21 ILE A 19 6.855 -25.921 -12.343 1.00 52.32 H new ATOM 0 HG22 ILE A 19 6.485 -26.286 -14.045 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.102 -26.637 -13.391 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.010 -23.394 -10.740 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.425 -23.011 -11.453 1.00 70.51 H new ATOM 0 HD13 ILE A 19 7.803 -24.682 -10.972 1.00 70.51 H new ATOM 315 N ASP A 20 7.987 -26.306 -16.848 1.00 31.11 N ATOM 316 CA ASP A 20 7.231 -27.172 -17.745 1.00 60.31 C ATOM 317 C ASP A 20 7.289 -28.623 -17.277 1.00 52.22 C ATOM 318 O ASP A 20 8.307 -29.098 -16.773 1.00 2.52 O ATOM 319 CB ASP A 20 7.772 -27.062 -19.171 1.00 72.22 C ATOM 320 CG ASP A 20 6.744 -26.508 -20.139 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.038 -25.547 -19.768 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 6.647 -27.036 -21.267 1.00 1.44 O ATOM 0 H ASP A 20 8.996 -26.454 -16.870 1.00 31.11 H new ATOM 0 HA ASP A 20 6.191 -26.846 -17.733 1.00 60.31 H new ATOM 0 HB2 ASP A 20 8.653 -26.420 -19.174 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.094 -28.046 -19.511 1.00 72.22 H new ATOM 327 N PRO A 21 6.170 -29.344 -17.444 1.00 3.01 N ATOM 328 CA PRO A 21 6.068 -30.751 -17.044 1.00 51.32 C ATOM 329 C PRO A 21 6.908 -31.666 -17.928 1.00 31.01 C ATOM 330 O PRO A 21 7.181 -32.811 -17.569 1.00 73.52 O ATOM 331 CB PRO A 21 4.580 -31.062 -17.215 1.00 40.32 C ATOM 332 CG PRO A 21 4.106 -30.090 -18.241 1.00 41.15 C ATOM 333 CD PRO A 21 4.919 -28.842 -18.037 1.00 41.12 C ATOM 0 HA PRO A 21 6.438 -30.915 -16.032 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.425 -32.090 -17.542 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.040 -30.942 -16.276 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.245 -30.486 -19.247 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.042 -29.886 -18.123 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.100 -28.322 -18.978 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.415 -28.137 -17.375 1.00 41.12 H new ATOM 341 N ALA A 22 7.316 -31.155 -19.084 1.00 74.25 N ATOM 342 CA ALA A 22 8.128 -31.926 -20.017 1.00 71.25 C ATOM 343 C ALA A 22 9.569 -32.039 -19.530 1.00 24.44 C ATOM 344 O ALA A 22 10.385 -32.737 -20.130 1.00 64.13 O ATOM 345 CB ALA A 22 8.084 -31.295 -21.400 1.00 74.40 C ATOM 0 H ALA A 22 7.097 -30.209 -19.397 1.00 74.25 H new ATOM 0 HA ALA A 22 7.713 -32.932 -20.075 1.00 71.25 H new ATOM 0 HB1 ALA A 22 8.695 -31.881 -22.087 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.055 -31.274 -21.758 1.00 74.40 H new ATOM 0 HB3 ALA A 22 8.471 -30.277 -21.348 1.00 74.40 H new ATOM 351 N ASN A 23 9.874 -31.345 -18.438 1.00 31.42 N ATOM 352 CA ASN A 23 11.218 -31.367 -17.870 1.00 33.21 C ATOM 353 C ASN A 23 11.282 -30.535 -16.592 1.00 71.22 C ATOM 354 O ASN A 23 11.289 -29.305 -16.640 1.00 21.44 O ATOM 355 CB ASN A 23 12.231 -30.838 -18.887 1.00 24.34 C ATOM 356 CG ASN A 23 13.564 -31.557 -18.802 1.00 24.24 C ATOM 357 OD1 ASN A 23 13.877 -32.407 -19.635 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.356 -31.218 -17.791 1.00 44.13 N ATOM 0 H ASN A 23 9.210 -30.761 -17.929 1.00 31.42 H new ATOM 0 HA ASN A 23 11.465 -32.399 -17.623 1.00 33.21 H new ATOM 0 HB2 ASN A 23 11.825 -30.949 -19.892 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.385 -29.772 -18.722 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.265 -31.668 -17.682 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.055 -30.508 -17.124 1.00 44.13 H new ATOM 365 N ARG A 24 11.328 -31.215 -15.452 1.00 31.34 N ATOM 366 CA ARG A 24 11.392 -30.540 -14.162 1.00 3.31 C ATOM 367 C ARG A 24 12.688 -30.880 -13.432 1.00 41.40 C ATOM 368 O ARG A 24 13.538 -31.596 -13.961 1.00 60.52 O ATOM 369 CB ARG A 24 10.191 -30.931 -13.298 1.00 43.24 C ATOM 370 CG ARG A 24 8.852 -30.739 -13.993 1.00 73.04 C ATOM 371 CD ARG A 24 8.224 -29.402 -13.632 1.00 15.52 C ATOM 372 NE ARG A 24 9.187 -28.493 -13.018 1.00 53.32 N ATOM 373 CZ ARG A 24 9.950 -27.653 -13.710 1.00 20.53 C ATOM 374 NH1 ARG A 24 9.861 -27.608 -15.032 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 10.802 -26.856 -13.078 1.00 32.13 N ATOM 0 H ARG A 24 11.322 -32.233 -15.395 1.00 31.34 H new ATOM 0 HA ARG A 24 11.368 -29.465 -14.342 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.291 -31.976 -13.003 1.00 43.24 H new ATOM 0 HB3 ARG A 24 10.204 -30.339 -12.383 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.989 -30.798 -15.073 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.176 -31.547 -13.713 1.00 73.04 H new ATOM 0 HD2 ARG A 24 7.812 -28.941 -14.530 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.392 -29.565 -12.947 1.00 15.52 H new ATOM 0 HE ARG A 24 9.279 -28.503 -12.002 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.206 -28.219 -15.520 1.00 42.41 H new ATOM 0 HH12 ARG A 24 10.448 -26.963 -15.561 1.00 42.41 H new ATOM 0 HH21 ARG A 24 10.872 -26.888 -12.061 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.387 -26.211 -13.609 1.00 32.13 H new ATOM 389 N GLN A 25 12.831 -30.362 -12.218 1.00 23.44 N ATOM 390 CA GLN A 25 14.024 -30.609 -11.417 1.00 3.41 C ATOM 391 C GLN A 25 13.657 -31.209 -10.064 1.00 43.32 C ATOM 392 O GLN A 25 14.368 -32.068 -9.540 1.00 3.03 O ATOM 393 CB GLN A 25 14.809 -29.312 -11.218 1.00 73.40 C ATOM 394 CG GLN A 25 16.161 -29.305 -11.912 1.00 65.05 C ATOM 395 CD GLN A 25 17.150 -30.259 -11.273 1.00 54.13 C ATOM 396 OE1 GLN A 25 17.024 -31.478 -11.396 1.00 72.12 O ATOM 397 NE2 GLN A 25 18.145 -29.709 -10.587 1.00 12.31 N ATOM 0 H GLN A 25 12.135 -29.768 -11.766 1.00 23.44 H new ATOM 0 HA GLN A 25 14.649 -31.324 -11.953 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.215 -28.477 -11.590 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.957 -29.147 -10.151 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.028 -29.573 -12.960 1.00 65.05 H new ATOM 0 HG3 GLN A 25 16.571 -28.295 -11.891 1.00 65.05 H new ATOM 0 HE21 GLN A 25 18.212 -28.694 -10.510 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.843 -30.301 -10.137 1.00 12.31 H new ATOM 406 N VAL A 26 12.543 -30.750 -9.501 1.00 53.35 N ATOM 407 CA VAL A 26 12.081 -31.242 -8.209 1.00 53.24 C ATOM 408 C VAL A 26 10.745 -30.613 -7.827 1.00 23.30 C ATOM 409 O VAL A 26 10.605 -29.391 -7.815 1.00 23.40 O ATOM 410 CB VAL A 26 13.108 -30.952 -7.099 1.00 62.44 C ATOM 411 CG1 VAL A 26 13.159 -29.463 -6.793 1.00 24.22 C ATOM 412 CG2 VAL A 26 12.777 -31.750 -5.846 1.00 61.33 C ATOM 0 H VAL A 26 11.944 -30.038 -9.920 1.00 53.35 H new ATOM 0 HA VAL A 26 11.957 -32.320 -8.307 1.00 53.24 H new ATOM 0 HB VAL A 26 14.093 -31.260 -7.450 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.890 -29.278 -6.006 1.00 24.22 H new ATOM 0 HG12 VAL A 26 13.446 -28.917 -7.691 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.177 -29.126 -6.462 1.00 24.22 H new ATOM 0 HG21 VAL A 26 13.513 -31.533 -5.072 1.00 61.33 H new ATOM 0 HG22 VAL A 26 11.784 -31.474 -5.491 1.00 61.33 H new ATOM 0 HG23 VAL A 26 12.797 -32.815 -6.077 1.00 61.33 H new ATOM 422 N GLU A 27 9.768 -31.458 -7.516 1.00 51.22 N ATOM 423 CA GLU A 27 8.443 -30.984 -7.134 1.00 53.14 C ATOM 424 C GLU A 27 8.171 -31.258 -5.657 1.00 20.43 C ATOM 425 O GLU A 27 8.268 -32.396 -5.198 1.00 21.25 O ATOM 426 CB GLU A 27 7.369 -31.655 -7.994 1.00 64.43 C ATOM 427 CG GLU A 27 7.373 -31.194 -9.441 1.00 1.54 C ATOM 428 CD GLU A 27 6.178 -31.708 -10.220 1.00 23.31 C ATOM 429 OE1 GLU A 27 5.058 -31.209 -9.985 1.00 0.53 O1- ATOM 430 OE2 GLU A 27 6.364 -32.607 -11.067 1.00 13.03 O ATOM 0 H GLU A 27 9.868 -32.473 -7.521 1.00 51.22 H new ATOM 0 HA GLU A 27 8.410 -29.907 -7.298 1.00 53.14 H new ATOM 0 HB2 GLU A 27 7.515 -32.735 -7.965 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.390 -31.454 -7.560 1.00 64.43 H new ATOM 0 HG2 GLU A 27 7.380 -30.104 -9.471 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.290 -31.533 -9.924 1.00 1.54 H new ATOM 437 N HIS A 28 7.832 -30.206 -4.918 1.00 1.34 N ATOM 438 CA HIS A 28 7.547 -30.333 -3.494 1.00 23.23 C ATOM 439 C HIS A 28 6.972 -29.033 -2.938 1.00 12.45 C ATOM 440 O HIS A 28 6.885 -28.028 -3.644 1.00 2.54 O ATOM 441 CB HIS A 28 8.816 -30.711 -2.730 1.00 64.15 C ATOM 442 CG HIS A 28 8.870 -32.155 -2.338 1.00 70.02 C ATOM 443 ND1 HIS A 28 9.842 -33.022 -2.792 1.00 64.13 N ATOM 444 CD2 HIS A 28 8.067 -32.884 -1.527 1.00 51.55 C ATOM 445 CE1 HIS A 28 9.632 -34.222 -2.280 1.00 15.35 C ATOM 446 NE2 HIS A 28 8.562 -34.165 -1.508 1.00 63.45 N ATOM 0 H HIS A 28 7.748 -29.257 -5.282 1.00 1.34 H new ATOM 0 HA HIS A 28 6.806 -31.122 -3.365 1.00 23.23 H new ATOM 0 HB2 HIS A 28 9.684 -30.477 -3.346 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.887 -30.096 -1.833 1.00 64.15 H new ATOM 0 HD2 HIS A 28 7.199 -32.525 -0.994 1.00 51.55 H new ATOM 0 HE1 HIS A 28 10.233 -35.100 -2.462 1.00 15.35 H new ATOM 0 HE2 HIS A 28 8.167 -34.945 -0.983 1.00 63.45 H new ATOM 454 N VAL A 29 6.580 -29.061 -1.667 1.00 54.23 N ATOM 455 CA VAL A 29 6.014 -27.885 -1.017 1.00 31.14 C ATOM 456 C VAL A 29 7.028 -27.233 -0.082 1.00 41.44 C ATOM 457 O VAL A 29 7.639 -27.902 0.752 1.00 25.11 O ATOM 458 CB VAL A 29 4.749 -28.242 -0.215 1.00 21.50 C ATOM 459 CG1 VAL A 29 4.317 -27.068 0.651 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.628 -28.666 -1.152 1.00 5.11 C ATOM 0 H VAL A 29 6.644 -29.884 -1.068 1.00 54.23 H new ATOM 0 HA VAL A 29 5.748 -27.183 -1.807 1.00 31.14 H new ATOM 0 HB VAL A 29 4.980 -29.081 0.442 1.00 21.50 H new ATOM 0 HG11 VAL A 29 3.422 -27.339 1.210 1.00 32.45 H new ATOM 0 HG12 VAL A 29 5.117 -26.815 1.347 1.00 32.45 H new ATOM 0 HG13 VAL A 29 4.102 -26.208 0.017 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.741 -28.915 -0.569 1.00 5.11 H new ATOM 0 HG22 VAL A 29 3.396 -27.849 -1.835 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.943 -29.539 -1.724 1.00 5.11 H new ATOM 470 N TYR A 30 7.201 -25.924 -0.226 1.00 54.15 N ATOM 471 CA TYR A 30 8.142 -25.182 0.603 1.00 42.42 C ATOM 472 C TYR A 30 7.434 -24.061 1.359 1.00 53.31 C ATOM 473 O TYR A 30 6.491 -23.453 0.853 1.00 71.04 O ATOM 474 CB TYR A 30 9.266 -24.601 -0.257 1.00 40.44 C ATOM 475 CG TYR A 30 9.996 -25.639 -1.079 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.435 -26.152 -2.242 1.00 23.33 C ATOM 477 CD2 TYR A 30 11.246 -26.107 -0.692 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.098 -27.101 -2.997 1.00 42.43 C ATOM 479 CE2 TYR A 30 11.916 -27.054 -1.442 1.00 50.54 C ATOM 480 CZ TYR A 30 11.338 -27.549 -2.592 1.00 32.12 C ATOM 481 OH TYR A 30 12.003 -28.494 -3.340 1.00 33.15 O ATOM 0 H TYR A 30 6.701 -25.355 -0.909 1.00 54.15 H new ATOM 0 HA TYR A 30 8.570 -25.873 1.329 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.849 -23.848 -0.925 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.981 -24.092 0.389 1.00 40.44 H new ATOM 0 HD1 TYR A 30 8.464 -25.803 -2.562 1.00 23.33 H new ATOM 0 HD2 TYR A 30 11.701 -25.724 0.210 1.00 63.54 H new ATOM 0 HE1 TYR A 30 9.648 -27.489 -3.899 1.00 42.43 H new ATOM 0 HE2 TYR A 30 12.888 -27.405 -1.129 1.00 50.54 H new ATOM 0 HH TYR A 30 12.563 -28.047 -4.009 1.00 33.15 H new ATOM 491 N LYS A 31 7.898 -23.792 2.575 1.00 21.53 N ATOM 492 CA LYS A 31 7.313 -22.743 3.403 1.00 33.30 C ATOM 493 C LYS A 31 8.237 -21.532 3.480 1.00 72.40 C ATOM 494 O LYS A 31 9.460 -21.673 3.517 1.00 42.23 O ATOM 495 CB LYS A 31 7.032 -23.273 4.811 1.00 30.01 C ATOM 496 CG LYS A 31 6.714 -22.183 5.819 1.00 12.24 C ATOM 497 CD LYS A 31 5.720 -22.662 6.864 1.00 72.33 C ATOM 498 CE LYS A 31 6.363 -23.638 7.838 1.00 1.42 C ATOM 499 NZ LYS A 31 5.348 -24.328 8.682 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.678 -24.286 3.009 1.00 21.53 H new ATOM 0 HA LYS A 31 6.374 -22.434 2.944 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.196 -23.971 4.767 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.899 -23.835 5.158 1.00 30.01 H new ATOM 0 HG2 LYS A 31 7.632 -21.861 6.310 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.308 -21.314 5.301 1.00 12.24 H new ATOM 0 HD2 LYS A 31 5.325 -21.806 7.412 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.875 -23.142 6.371 1.00 72.33 H new ATOM 0 HE2 LYS A 31 6.938 -24.379 7.283 1.00 1.42 H new ATOM 0 HE3 LYS A 31 7.065 -23.103 8.478 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.825 -24.984 9.332 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.816 -23.623 9.231 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.693 -24.859 8.073 1.00 74.42 H new ATOM 513 N PHE A 32 7.646 -20.343 3.505 1.00 21.34 N ATOM 514 CA PHE A 32 8.416 -19.106 3.579 1.00 31.43 C ATOM 515 C PHE A 32 7.866 -18.187 4.666 1.00 73.13 C ATOM 516 O PHE A 32 6.678 -17.865 4.678 1.00 30.25 O ATOM 517 CB PHE A 32 8.397 -18.388 2.229 1.00 2.44 C ATOM 518 CG PHE A 32 9.749 -18.294 1.581 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.843 -17.833 2.294 1.00 25.20 C ATOM 520 CD2 PHE A 32 9.925 -18.668 0.258 1.00 34.32 C ATOM 521 CE1 PHE A 32 12.089 -17.747 1.701 1.00 15.23 C ATOM 522 CE2 PHE A 32 11.168 -18.583 -0.340 1.00 31.04 C ATOM 523 CZ PHE A 32 12.251 -18.121 0.382 1.00 34.24 C ATOM 0 H PHE A 32 6.635 -20.209 3.475 1.00 21.34 H new ATOM 0 HA PHE A 32 9.445 -19.362 3.832 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.717 -18.912 1.557 1.00 2.44 H new ATOM 0 HB3 PHE A 32 7.998 -17.383 2.367 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.721 -17.537 3.326 1.00 25.20 H new ATOM 0 HD2 PHE A 32 9.082 -19.030 -0.312 1.00 34.32 H new ATOM 0 HE1 PHE A 32 12.934 -17.388 2.269 1.00 15.23 H new ATOM 0 HE2 PHE A 32 11.292 -18.878 -1.372 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.223 -18.052 -0.084 1.00 34.24 H new ATOM 533 N ARG A 33 8.739 -17.767 5.575 1.00 2.52 N ATOM 534 CA ARG A 33 8.342 -16.886 6.667 1.00 14.43 C ATOM 535 C ARG A 33 8.942 -15.495 6.489 1.00 75.14 C ATOM 536 O ARG A 33 10.095 -15.354 6.080 1.00 61.42 O ATOM 537 CB ARG A 33 8.779 -17.473 8.010 1.00 2.14 C ATOM 538 CG ARG A 33 8.112 -18.798 8.342 1.00 20.25 C ATOM 539 CD ARG A 33 6.942 -18.609 9.295 1.00 10.22 C ATOM 540 NE ARG A 33 7.201 -19.205 10.603 1.00 11.44 N ATOM 541 CZ ARG A 33 6.269 -19.358 11.538 1.00 10.32 C ATOM 542 NH1 ARG A 33 5.025 -18.962 11.309 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.582 -19.909 12.704 1.00 25.32 N ATOM 0 H ARG A 33 9.726 -18.023 5.577 1.00 2.52 H new ATOM 0 HA ARG A 33 7.256 -16.799 6.653 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.860 -17.612 8.001 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.556 -16.756 8.800 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.762 -19.271 7.424 1.00 20.25 H new ATOM 0 HG3 ARG A 33 8.842 -19.472 8.790 1.00 20.25 H new ATOM 0 HD2 ARG A 33 6.740 -17.545 9.415 1.00 10.22 H new ATOM 0 HD3 ARG A 33 6.047 -19.056 8.863 1.00 10.22 H new ATOM 0 HE ARG A 33 8.148 -19.521 10.810 1.00 11.44 H new ATOM 0 HH11 ARG A 33 4.781 -18.539 10.414 1.00 23.32 H new ATOM 0 HH12 ARG A 33 4.311 -19.081 12.028 1.00 23.32 H new ATOM 0 HH21 ARG A 33 7.538 -20.215 12.883 1.00 25.32 H new ATOM 0 HH22 ARG A 33 5.866 -20.026 13.421 1.00 25.32 H new ATOM 557 N ILE A 34 8.153 -14.472 6.796 1.00 62.22 N ATOM 558 CA ILE A 34 8.607 -13.092 6.670 1.00 24.14 C ATOM 559 C ILE A 34 8.632 -12.395 8.027 1.00 22.22 C ATOM 560 O ILE A 34 7.642 -11.800 8.451 1.00 15.22 O ATOM 561 CB ILE A 34 7.708 -12.289 5.712 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.670 -12.956 4.335 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.204 -10.856 5.597 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.041 -13.275 3.780 1.00 0.34 C ATOM 0 H ILE A 34 7.196 -14.572 7.134 1.00 62.22 H new ATOM 0 HA ILE A 34 9.618 -13.129 6.263 1.00 24.14 H new ATOM 0 HB ILE A 34 6.696 -12.272 6.116 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.091 -13.877 4.402 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.148 -12.301 3.637 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.558 -10.301 4.916 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.186 -10.385 6.580 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.224 -10.854 5.212 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.937 -13.746 2.802 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.616 -12.355 3.680 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.558 -13.955 4.457 1.00 0.34 H new ATOM 576 N THR A 35 9.774 -12.474 8.704 1.00 73.35 N ATOM 577 CA THR A 35 9.931 -11.851 10.013 1.00 10.14 C ATOM 578 C THR A 35 10.702 -10.540 9.909 1.00 21.43 C ATOM 579 O THR A 35 11.337 -10.263 8.891 1.00 61.13 O ATOM 580 CB THR A 35 10.659 -12.785 10.997 1.00 42.42 C ATOM 581 OG1 THR A 35 12.042 -12.887 10.642 1.00 61.24 O ATOM 582 CG2 THR A 35 10.028 -14.170 10.996 1.00 21.42 C ATOM 0 H THR A 35 10.603 -12.963 8.367 1.00 73.35 H new ATOM 0 HA THR A 35 8.928 -11.651 10.389 1.00 10.14 H new ATOM 0 HB THR A 35 10.570 -12.363 11.998 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.499 -13.481 11.273 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.559 -14.812 11.699 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.982 -14.094 11.293 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.090 -14.597 9.995 1.00 21.42 H new ATOM 643 N VAL A 40 7.919 -12.993 13.934 1.00 13.33 N ATOM 644 CA VAL A 40 7.191 -13.157 12.682 1.00 41.44 C ATOM 645 C VAL A 40 6.051 -12.150 12.573 1.00 63.31 C ATOM 646 O VAL A 40 5.438 -11.780 13.573 1.00 63.13 O ATOM 647 CB VAL A 40 6.619 -14.580 12.548 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.861 -14.730 11.238 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.731 -15.613 12.650 1.00 51.40 C ATOM 0 HA VAL A 40 7.904 -12.983 11.876 1.00 41.44 H new ATOM 0 HB VAL A 40 5.920 -14.750 13.367 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.464 -15.742 11.161 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.039 -14.015 11.209 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.536 -14.541 10.403 1.00 55.31 H new ATOM 0 HG21 VAL A 40 7.309 -16.613 12.553 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.456 -15.447 11.853 1.00 51.40 H new ATOM 0 HG23 VAL A 40 8.226 -15.520 13.617 1.00 51.40 H new ATOM 659 N VAL A 41 5.772 -11.711 11.350 1.00 34.35 N ATOM 660 CA VAL A 41 4.704 -10.748 11.108 1.00 44.34 C ATOM 661 C VAL A 41 3.711 -11.275 10.079 1.00 12.15 C ATOM 662 O VAL A 41 2.567 -10.825 10.016 1.00 4.11 O ATOM 663 CB VAL A 41 5.265 -9.398 10.621 1.00 3.41 C ATOM 664 CG1 VAL A 41 6.057 -8.718 11.728 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.125 -9.596 9.382 1.00 22.42 C ATOM 0 H VAL A 41 6.271 -12.007 10.511 1.00 34.35 H new ATOM 0 HA VAL A 41 4.192 -10.598 12.058 1.00 44.34 H new ATOM 0 HB VAL A 41 4.429 -8.750 10.356 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.445 -7.766 11.366 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.407 -8.542 12.585 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.887 -9.358 12.028 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.513 -8.633 9.051 1.00 22.42 H new ATOM 0 HG22 VAL A 41 6.956 -10.261 9.618 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.523 -10.037 8.588 1.00 22.42 H new ATOM 675 N LYS A 42 4.156 -12.233 9.272 1.00 42.43 N ATOM 676 CA LYS A 42 3.307 -12.825 8.245 1.00 33.55 C ATOM 677 C LYS A 42 3.878 -14.155 7.767 1.00 43.41 C ATOM 678 O LYS A 42 5.086 -14.378 7.823 1.00 1.03 O ATOM 679 CB LYS A 42 3.160 -11.865 7.061 1.00 52.12 C ATOM 680 CG LYS A 42 1.753 -11.316 6.895 1.00 64.32 C ATOM 681 CD LYS A 42 1.654 -9.880 7.382 1.00 52.31 C ATOM 682 CE LYS A 42 0.492 -9.698 8.346 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.703 -9.121 7.672 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.101 -12.616 9.310 1.00 42.43 H new ATOM 0 HA LYS A 42 2.325 -13.008 8.681 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.853 -11.033 7.190 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.450 -12.382 6.146 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.463 -11.366 5.845 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.051 -11.938 7.449 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.584 -9.597 7.874 1.00 52.31 H new ATOM 0 HD3 LYS A 42 1.529 -9.213 6.529 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.231 -10.661 8.786 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.798 -9.046 9.164 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.473 -9.013 8.363 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.462 -8.191 7.274 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.011 -9.756 6.908 1.00 13.02 H new ATOM 697 N ASN A 43 3.001 -15.035 7.296 1.00 34.54 N ATOM 698 CA ASN A 43 3.419 -16.345 6.807 1.00 55.25 C ATOM 699 C ASN A 43 3.322 -16.413 5.286 1.00 40.53 C ATOM 700 O ASN A 43 2.537 -15.691 4.671 1.00 31.40 O ATOM 701 CB ASN A 43 2.560 -17.444 7.434 1.00 53.41 C ATOM 702 CG ASN A 43 1.127 -17.002 7.657 1.00 44.33 C ATOM 703 OD1 ASN A 43 0.342 -16.901 6.715 1.00 24.42 O ATOM 704 ND2 ASN A 43 0.780 -16.736 8.912 1.00 72.11 N ATOM 0 H ASN A 43 1.997 -14.866 7.242 1.00 34.54 H new ATOM 0 HA ASN A 43 4.459 -16.498 7.094 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.570 -18.322 6.788 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.997 -17.744 8.386 1.00 53.41 H new ATOM 0 HD21 ASN A 43 -0.171 -16.434 9.125 1.00 72.11 H new ATOM 0 HD22 ASN A 43 1.464 -16.834 9.662 1.00 72.11 H new ATOM 711 N TRP A 44 4.125 -17.284 4.686 1.00 22.12 N ATOM 712 CA TRP A 44 4.130 -17.448 3.236 1.00 23.21 C ATOM 713 C TRP A 44 4.368 -18.904 2.854 1.00 15.33 C ATOM 714 O TRP A 44 5.025 -19.648 3.582 1.00 44.21 O ATOM 715 CB TRP A 44 5.203 -16.560 2.606 1.00 45.14 C ATOM 716 CG TRP A 44 4.641 -15.403 1.836 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.249 -15.404 0.527 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.409 -14.079 2.325 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.788 -14.158 0.174 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.875 -13.328 1.260 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.600 -13.453 3.561 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.531 -11.985 1.395 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.259 -12.121 3.692 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.728 -11.398 2.615 1.00 1.02 C ATOM 0 H TRP A 44 4.781 -17.888 5.181 1.00 22.12 H new ATOM 0 HA TRP A 44 3.153 -17.148 2.858 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.857 -16.181 3.391 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.820 -17.164 1.941 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.295 -16.258 -0.133 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.438 -13.894 -0.747 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.007 -14.001 4.398 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.123 -11.427 0.566 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.404 -11.628 4.642 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.470 -10.358 2.751 1.00 1.02 H new ATOM 735 N VAL A 45 3.829 -19.306 1.706 1.00 5.25 N ATOM 736 CA VAL A 45 3.984 -20.674 1.226 1.00 60.54 C ATOM 737 C VAL A 45 4.170 -20.707 -0.286 1.00 5.42 C ATOM 738 O VAL A 45 3.529 -19.953 -1.017 1.00 33.13 O ATOM 739 CB VAL A 45 2.769 -21.542 1.604 1.00 52.33 C ATOM 740 CG1 VAL A 45 1.492 -20.954 1.024 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.970 -22.973 1.127 1.00 33.43 C ATOM 0 H VAL A 45 3.281 -18.703 1.092 1.00 5.25 H new ATOM 0 HA VAL A 45 4.874 -21.080 1.707 1.00 60.54 H new ATOM 0 HB VAL A 45 2.675 -21.553 2.690 1.00 52.33 H new ATOM 0 HG11 VAL A 45 0.644 -21.581 1.301 1.00 0.31 H new ATOM 0 HG12 VAL A 45 1.344 -19.948 1.417 1.00 0.31 H new ATOM 0 HG13 VAL A 45 1.572 -20.911 -0.062 1.00 0.31 H new ATOM 0 HG21 VAL A 45 2.103 -23.573 1.402 1.00 33.43 H new ATOM 0 HG22 VAL A 45 3.089 -22.982 0.044 1.00 33.43 H new ATOM 0 HG23 VAL A 45 3.863 -23.390 1.593 1.00 33.43 H new ATOM 751 N MET A 46 5.051 -21.588 -0.749 1.00 62.23 N ATOM 752 CA MET A 46 5.320 -21.721 -2.176 1.00 35.14 C ATOM 753 C MET A 46 4.555 -22.902 -2.766 1.00 72.04 C ATOM 754 O MET A 46 4.759 -24.049 -2.365 1.00 51.41 O ATOM 755 CB MET A 46 6.820 -21.898 -2.420 1.00 33.01 C ATOM 756 CG MET A 46 7.381 -20.949 -3.466 1.00 43.13 C ATOM 757 SD MET A 46 9.037 -21.413 -4.008 1.00 65.24 S ATOM 758 CE MET A 46 10.032 -20.709 -2.695 1.00 25.52 C ATOM 0 H MET A 46 5.590 -22.220 -0.157 1.00 62.23 H new ATOM 0 HA MET A 46 4.984 -20.809 -2.670 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.353 -21.747 -1.481 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.010 -22.925 -2.733 1.00 33.01 H new ATOM 0 HG2 MET A 46 6.713 -20.928 -4.327 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.406 -19.939 -3.058 1.00 43.13 H new ATOM 0 HE1 MET A 46 11.037 -20.509 -3.067 1.00 25.52 H new ATOM 0 HE2 MET A 46 9.579 -19.778 -2.354 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.087 -21.411 -1.863 1.00 25.52 H new ATOM 768 N ASP A 47 3.674 -22.614 -3.718 1.00 71.12 N ATOM 769 CA ASP A 47 2.879 -23.653 -4.363 1.00 32.40 C ATOM 770 C ASP A 47 3.523 -24.097 -5.672 1.00 53.15 C ATOM 771 O ASP A 47 3.245 -23.540 -6.734 1.00 2.25 O ATOM 772 CB ASP A 47 1.458 -23.149 -4.624 1.00 13.44 C ATOM 773 CG ASP A 47 0.430 -24.261 -4.569 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.822 -25.440 -4.702 1.00 72.40 O ATOM 775 OD2 ASP A 47 -0.767 -23.954 -4.390 1.00 11.32 O1- ATOM 0 H ASP A 47 3.492 -21.670 -4.060 1.00 71.12 H new ATOM 0 HA ASP A 47 2.835 -24.511 -3.692 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.205 -22.387 -3.887 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.419 -22.671 -5.603 1.00 13.44 H new ATOM 780 N LEU A 48 4.387 -25.102 -5.588 1.00 3.45 N ATOM 781 CA LEU A 48 5.073 -25.621 -6.767 1.00 34.13 C ATOM 782 C LEU A 48 4.136 -26.482 -7.608 1.00 74.54 C ATOM 783 O LEU A 48 4.518 -26.986 -8.663 1.00 65.54 O ATOM 784 CB LEU A 48 6.298 -26.438 -6.350 1.00 41.41 C ATOM 785 CG LEU A 48 7.559 -25.636 -6.023 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.796 -26.511 -6.155 1.00 72.14 C ATOM 787 CD2 LEU A 48 7.666 -24.418 -6.928 1.00 24.33 C ATOM 0 H LEU A 48 4.630 -25.574 -4.717 1.00 3.45 H new ATOM 0 HA LEU A 48 5.397 -24.773 -7.371 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.033 -27.033 -5.476 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.534 -27.137 -7.152 1.00 41.41 H new ATOM 0 HG LEU A 48 7.491 -25.292 -4.991 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.684 -25.924 -5.919 1.00 72.14 H new ATOM 0 HD12 LEU A 48 8.722 -27.352 -5.465 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.870 -26.885 -7.176 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.569 -23.859 -6.681 1.00 24.33 H new ATOM 0 HD22 LEU A 48 7.712 -24.740 -7.968 1.00 24.33 H new ATOM 0 HD23 LEU A 48 6.794 -23.780 -6.784 1.00 24.33 H new ATOM 799 N LYS A 49 2.906 -26.644 -7.134 1.00 53.41 N ATOM 800 CA LYS A 49 1.911 -27.441 -7.843 1.00 44.45 C ATOM 801 C LYS A 49 1.200 -26.606 -8.903 1.00 13.33 C ATOM 802 O LYS A 49 1.186 -26.962 -10.080 1.00 1.23 O ATOM 803 CB LYS A 49 0.889 -28.012 -6.857 1.00 43.22 C ATOM 804 CG LYS A 49 1.243 -29.399 -6.349 1.00 30.32 C ATOM 805 CD LYS A 49 0.216 -29.906 -5.350 1.00 53.45 C ATOM 806 CE LYS A 49 -1.078 -30.309 -6.039 1.00 64.21 C ATOM 807 NZ LYS A 49 -1.576 -31.628 -5.557 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.573 -26.234 -6.261 1.00 53.41 H new ATOM 0 HA LYS A 49 2.426 -28.263 -8.340 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.799 -27.335 -6.007 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.088 -28.049 -7.340 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.306 -30.090 -7.190 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.227 -29.376 -5.881 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.623 -30.760 -4.809 1.00 53.45 H new ATOM 0 HD3 LYS A 49 0.011 -29.130 -4.612 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -1.837 -29.547 -5.861 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -0.917 -30.353 -7.116 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -2.460 -31.867 -6.051 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.863 -32.360 -5.750 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.754 -31.579 -4.533 1.00 62.40 H new ATOM 821 N ASN A 50 0.611 -25.493 -8.475 1.00 2.35 N ATOM 822 CA ASN A 50 -0.101 -24.607 -9.389 1.00 41.40 C ATOM 823 C ASN A 50 0.861 -23.633 -10.063 1.00 40.41 C ATOM 824 O ASN A 50 0.482 -22.903 -10.979 1.00 2.41 O ATOM 825 CB ASN A 50 -1.186 -23.832 -8.638 1.00 14.33 C ATOM 826 CG ASN A 50 -2.488 -23.764 -9.412 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.494 -23.802 -10.643 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.600 -23.661 -8.693 1.00 4.23 N ATOM 0 H ASN A 50 0.613 -25.184 -7.503 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.568 -25.220 -10.160 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.365 -24.305 -7.673 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.833 -22.821 -8.437 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.506 -23.610 -9.159 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.548 -23.633 -7.675 1.00 4.23 H new ATOM 835 N VAL A 51 2.109 -23.630 -9.605 1.00 64.11 N ATOM 836 CA VAL A 51 3.126 -22.748 -10.164 1.00 54.52 C ATOM 837 C VAL A 51 2.841 -21.291 -9.817 1.00 42.10 C ATOM 838 O VAL A 51 2.959 -20.404 -10.663 1.00 10.33 O ATOM 839 CB VAL A 51 3.213 -22.891 -11.695 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.523 -22.316 -12.212 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.063 -24.349 -12.103 1.00 50.43 C ATOM 0 H VAL A 51 2.440 -24.229 -8.848 1.00 64.11 H new ATOM 0 HA VAL A 51 4.078 -23.044 -9.724 1.00 54.52 H new ATOM 0 HB VAL A 51 2.395 -22.326 -12.142 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.566 -22.426 -13.296 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.584 -21.259 -11.952 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.359 -22.850 -11.759 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.127 -24.432 -13.188 1.00 50.43 H new ATOM 0 HG22 VAL A 51 3.858 -24.938 -11.647 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.096 -24.723 -11.767 1.00 50.43 H new ATOM 851 N LYS A 52 2.466 -21.049 -8.565 1.00 54.43 N ATOM 852 CA LYS A 52 2.166 -19.699 -8.103 1.00 32.42 C ATOM 853 C LYS A 52 2.493 -19.546 -6.620 1.00 50.21 C ATOM 854 O LYS A 52 2.319 -20.480 -5.837 1.00 11.15 O ATOM 855 CB LYS A 52 0.692 -19.370 -8.348 1.00 21.22 C ATOM 856 CG LYS A 52 0.288 -17.989 -7.860 1.00 10.13 C ATOM 857 CD LYS A 52 -0.825 -17.401 -8.712 1.00 32.21 C ATOM 858 CE LYS A 52 -0.441 -16.039 -9.267 1.00 73.31 C ATOM 859 NZ LYS A 52 -0.919 -14.929 -8.395 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.363 -21.771 -7.852 1.00 54.43 H new ATOM 0 HA LYS A 52 2.786 -19.002 -8.667 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.484 -19.444 -9.415 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.074 -20.117 -7.850 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.040 -18.050 -6.822 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.153 -17.327 -7.882 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -1.052 -18.079 -9.534 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.732 -17.309 -8.115 1.00 32.21 H new ATOM 0 HE2 LYS A 52 0.643 -15.980 -9.368 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.861 -15.922 -10.266 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -0.637 -14.017 -8.808 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -1.955 -14.969 -8.319 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -0.498 -15.025 -7.449 1.00 35.03 H new ATOM 873 N LEU A 53 2.964 -18.363 -6.243 1.00 61.23 N ATOM 874 CA LEU A 53 3.314 -18.088 -4.853 1.00 12.34 C ATOM 875 C LEU A 53 2.129 -17.487 -4.103 1.00 64.35 C ATOM 876 O LEU A 53 1.393 -16.661 -4.642 1.00 64.45 O ATOM 877 CB LEU A 53 4.510 -17.136 -4.787 1.00 22.14 C ATOM 878 CG LEU A 53 5.827 -17.747 -4.307 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.438 -18.618 -5.393 1.00 71.22 C ATOM 880 CD2 LEU A 53 6.799 -16.654 -3.886 1.00 42.33 C ATOM 0 H LEU A 53 3.112 -17.579 -6.879 1.00 61.23 H new ATOM 0 HA LEU A 53 3.582 -19.031 -4.377 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.669 -16.714 -5.779 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.254 -16.308 -4.126 1.00 22.14 H new ATOM 0 HG LEU A 53 5.620 -18.375 -3.440 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.375 -19.044 -5.034 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.747 -19.422 -5.646 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.631 -18.013 -6.279 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.731 -17.107 -3.547 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.001 -16.000 -4.734 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.362 -16.072 -3.075 1.00 42.33 H new ATOM 892 N VAL A 54 1.952 -17.908 -2.854 1.00 5.45 N ATOM 893 CA VAL A 54 0.859 -17.410 -2.028 1.00 41.23 C ATOM 894 C VAL A 54 1.311 -17.198 -0.588 1.00 45.12 C ATOM 895 O VAL A 54 2.364 -17.687 -0.180 1.00 72.40 O ATOM 896 CB VAL A 54 -0.341 -18.375 -2.042 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.624 -18.854 -3.457 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.087 -19.553 -1.112 1.00 11.01 C ATOM 0 H VAL A 54 2.551 -18.592 -2.393 1.00 5.45 H new ATOM 0 HA VAL A 54 0.551 -16.455 -2.453 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.220 -17.840 -1.683 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.475 -19.535 -3.447 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.851 -17.998 -4.092 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.251 -19.373 -3.847 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -0.945 -20.225 -1.134 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.803 -20.090 -1.440 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.063 -19.189 -0.096 1.00 11.01 H new ATOM 908 N GLU A 55 0.507 -16.468 0.179 1.00 21.23 N ATOM 909 CA GLU A 55 0.825 -16.192 1.575 1.00 34.21 C ATOM 910 C GLU A 55 0.009 -17.084 2.505 1.00 31.12 C ATOM 911 O GLU A 55 -1.182 -16.857 2.714 1.00 24.40 O ATOM 912 CB GLU A 55 0.562 -14.720 1.900 1.00 60.31 C ATOM 913 CG GLU A 55 -0.771 -14.211 1.379 1.00 21.34 C ATOM 914 CD GLU A 55 -0.683 -13.697 -0.045 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.432 -13.696 -0.606 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.729 -13.295 -0.597 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.369 -16.057 -0.143 1.00 21.23 H new ATOM 0 HA GLU A 55 1.882 -16.407 1.730 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.596 -14.583 2.981 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.363 -14.114 1.477 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.506 -15.014 1.427 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.129 -13.412 2.028 1.00 21.34 H new ATOM 923 N SER A 56 0.660 -18.101 3.062 1.00 73.41 N ATOM 924 CA SER A 56 -0.006 -19.031 3.966 1.00 43.24 C ATOM 925 C SER A 56 1.013 -19.905 4.693 1.00 1.33 C ATOM 926 O SER A 56 2.164 -20.015 4.272 1.00 11.10 O ATOM 927 CB SER A 56 -0.991 -19.910 3.195 1.00 44.34 C ATOM 928 OG SER A 56 -2.321 -19.444 3.349 1.00 12.25 O ATOM 0 H SER A 56 1.647 -18.301 2.903 1.00 73.41 H new ATOM 0 HA SER A 56 -0.554 -18.449 4.707 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.725 -19.918 2.138 1.00 44.34 H new ATOM 0 HB3 SER A 56 -0.920 -20.938 3.549 1.00 44.34 H new ATOM 0 HG SER A 56 -2.349 -18.477 3.193 1.00 12.25 H new ATOM 934 N ASP A 57 0.579 -20.525 5.785 1.00 31.32 N ATOM 935 CA ASP A 57 1.451 -21.390 6.570 1.00 71.22 C ATOM 936 C ASP A 57 0.871 -22.797 6.672 1.00 51.13 C ATOM 937 O ASP A 57 -0.211 -22.995 7.226 1.00 50.20 O ATOM 938 CB ASP A 57 1.657 -20.808 7.970 1.00 63.23 C ATOM 939 CG ASP A 57 0.358 -20.350 8.603 1.00 3.54 C ATOM 940 OD1 ASP A 57 -0.232 -19.370 8.103 1.00 2.01 O1- ATOM 941 OD2 ASP A 57 -0.069 -20.971 9.599 1.00 34.13 O ATOM 0 H ASP A 57 -0.371 -20.444 6.146 1.00 31.32 H new ATOM 0 HA ASP A 57 2.415 -21.449 6.064 1.00 71.22 H new ATOM 0 HB2 ASP A 57 2.124 -21.559 8.608 1.00 63.23 H new ATOM 0 HB3 ASP A 57 2.347 -19.966 7.912 1.00 63.23 H new ATOM 946 N ASP A 58 1.596 -23.771 6.133 1.00 42.15 N ATOM 947 CA ASP A 58 1.154 -25.160 6.163 1.00 13.22 C ATOM 948 C ASP A 58 2.338 -26.103 6.352 1.00 50.02 C ATOM 949 O ASP A 58 3.483 -25.738 6.090 1.00 32.03 O ATOM 950 CB ASP A 58 0.409 -25.508 4.873 1.00 32.33 C ATOM 951 CG ASP A 58 -0.229 -24.294 4.227 1.00 34.24 C ATOM 952 OD1 ASP A 58 0.496 -23.529 3.559 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -1.453 -24.110 4.390 1.00 62.33 O ATOM 0 H ASP A 58 2.493 -23.624 5.670 1.00 42.15 H new ATOM 0 HA ASP A 58 0.477 -25.282 7.009 1.00 13.22 H new ATOM 0 HB2 ASP A 58 1.103 -25.968 4.169 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.362 -26.247 5.090 1.00 32.33 H new ATOM 958 N ALA A 59 2.054 -27.318 6.808 1.00 54.42 N ATOM 959 CA ALA A 59 3.094 -28.314 7.032 1.00 64.04 C ATOM 960 C ALA A 59 3.833 -28.636 5.737 1.00 23.53 C ATOM 961 O ALA A 59 3.424 -29.517 4.981 1.00 64.14 O ATOM 962 CB ALA A 59 2.495 -29.579 7.629 1.00 20.01 C ATOM 0 H ALA A 59 1.111 -27.637 7.030 1.00 54.42 H new ATOM 0 HA ALA A 59 3.814 -27.899 7.737 1.00 64.04 H new ATOM 0 HB1 ALA A 59 3.284 -30.314 7.791 1.00 20.01 H new ATOM 0 HB2 ALA A 59 2.019 -29.342 8.581 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.753 -29.988 6.944 1.00 20.01 H new ATOM 968 N ALA A 60 4.922 -27.916 5.488 1.00 25.42 N ATOM 969 CA ALA A 60 5.718 -28.127 4.285 1.00 52.24 C ATOM 970 C ALA A 60 6.913 -29.030 4.569 1.00 52.10 C ATOM 971 O ALA A 60 7.440 -29.045 5.681 1.00 32.51 O ATOM 972 CB ALA A 60 6.183 -26.793 3.720 1.00 60.25 C ATOM 0 H ALA A 60 5.273 -27.182 6.103 1.00 25.42 H new ATOM 0 HA ALA A 60 5.090 -28.623 3.545 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.776 -26.965 2.822 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.316 -26.182 3.470 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.790 -26.275 4.462 1.00 60.25 H new ATOM 978 N GLU A 61 7.336 -29.781 3.557 1.00 12.15 N ATOM 979 CA GLU A 61 8.469 -30.687 3.700 1.00 60.24 C ATOM 980 C GLU A 61 9.751 -29.913 3.987 1.00 60.45 C ATOM 981 O GLU A 61 10.751 -30.485 4.422 1.00 34.32 O ATOM 982 CB GLU A 61 8.640 -31.529 2.434 1.00 40.01 C ATOM 983 CG GLU A 61 8.547 -33.026 2.680 1.00 60.43 C ATOM 984 CD GLU A 61 7.224 -33.433 3.298 1.00 63.55 C ATOM 985 OE1 GLU A 61 6.174 -33.178 2.672 1.00 10.35 O ATOM 986 OE2 GLU A 61 7.238 -34.008 4.407 1.00 4.32 O1- ATOM 0 H GLU A 61 6.911 -29.780 2.630 1.00 12.15 H new ATOM 0 HA GLU A 61 8.269 -31.349 4.543 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.878 -31.240 1.710 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.607 -31.303 1.985 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.681 -33.555 1.736 1.00 60.43 H new ATOM 0 HG3 GLU A 61 9.361 -33.334 3.336 1.00 60.43 H new ATOM 993 N ALA A 62 9.717 -28.607 3.739 1.00 4.02 N ATOM 994 CA ALA A 62 10.875 -27.754 3.972 1.00 60.23 C ATOM 995 C ALA A 62 10.449 -26.357 4.410 1.00 52.32 C ATOM 996 O ALA A 62 9.677 -25.688 3.722 1.00 12.21 O ATOM 997 CB ALA A 62 11.734 -27.678 2.718 1.00 14.02 C ATOM 0 H ALA A 62 8.899 -28.117 3.377 1.00 4.02 H new ATOM 0 HA ALA A 62 11.464 -28.194 4.777 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.596 -27.038 2.906 1.00 14.02 H new ATOM 0 HB2 ALA A 62 12.076 -28.678 2.450 1.00 14.02 H new ATOM 0 HB3 ALA A 62 11.146 -27.264 1.899 1.00 14.02 H new ATOM 1003 N THR A 63 10.955 -25.922 5.559 1.00 64.23 N ATOM 1004 CA THR A 63 10.625 -24.605 6.090 1.00 11.41 C ATOM 1005 C THR A 63 11.795 -23.641 5.934 1.00 73.24 C ATOM 1006 O THR A 63 12.932 -23.968 6.278 1.00 53.04 O ATOM 1007 CB THR A 63 10.230 -24.681 7.577 1.00 31.34 C ATOM 1008 OG1 THR A 63 9.040 -25.464 7.729 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.004 -23.290 8.148 1.00 45.10 C ATOM 0 H THR A 63 11.595 -26.463 6.140 1.00 64.23 H new ATOM 0 HA THR A 63 9.775 -24.236 5.516 1.00 11.41 H new ATOM 0 HB THR A 63 11.047 -25.153 8.123 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.797 -25.509 8.677 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.726 -23.369 9.199 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.920 -22.706 8.058 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.203 -22.796 7.597 1.00 45.10 H new ATOM 1017 N LEU A 64 11.510 -22.451 5.417 1.00 31.21 N ATOM 1018 CA LEU A 64 12.541 -21.438 5.218 1.00 23.22 C ATOM 1019 C LEU A 64 12.116 -20.103 5.821 1.00 10.31 C ATOM 1020 O LEU A 64 11.117 -19.513 5.408 1.00 34.35 O ATOM 1021 CB LEU A 64 12.833 -21.266 3.726 1.00 42.20 C ATOM 1022 CG LEU A 64 12.948 -22.556 2.912 1.00 33.54 C ATOM 1023 CD1 LEU A 64 11.694 -22.773 2.077 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.183 -22.518 2.023 1.00 33.52 C ATOM 0 H LEU A 64 10.575 -22.164 5.128 1.00 31.21 H new ATOM 0 HA LEU A 64 13.447 -21.773 5.724 1.00 23.22 H new ATOM 0 HB2 LEU A 64 12.044 -20.654 3.290 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.764 -20.709 3.620 1.00 42.20 H new ATOM 0 HG LEU A 64 13.049 -23.392 3.604 1.00 33.54 H new ATOM 0 HD11 LEU A 64 11.793 -23.695 1.504 1.00 24.14 H new ATOM 0 HD12 LEU A 64 10.827 -22.845 2.734 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.562 -21.934 1.394 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.248 -23.444 1.451 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.112 -21.673 1.338 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.074 -22.410 2.642 1.00 33.52 H new ATOM 1036 N THR A 65 12.882 -19.629 6.799 1.00 71.33 N ATOM 1037 CA THR A 65 12.586 -18.365 7.458 1.00 73.12 C ATOM 1038 C THR A 65 13.579 -17.284 7.046 1.00 14.11 C ATOM 1039 O THR A 65 14.786 -17.521 7.008 1.00 44.01 O ATOM 1040 CB THR A 65 12.609 -18.510 8.991 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.985 -19.740 9.376 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.895 -17.343 9.657 1.00 42.34 C ATOM 0 H THR A 65 13.713 -20.103 7.152 1.00 71.33 H new ATOM 0 HA THR A 65 11.584 -18.073 7.144 1.00 73.12 H new ATOM 0 HB THR A 65 13.649 -18.512 9.318 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.637 -20.307 9.838 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.925 -17.468 10.739 1.00 42.34 H new ATOM 0 HG22 THR A 65 12.390 -16.411 9.386 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.858 -17.313 9.324 1.00 42.34 H new ATOM 1050 N MET A 66 13.064 -16.098 6.740 1.00 44.23 N ATOM 1051 CA MET A 66 13.908 -14.981 6.333 1.00 35.33 C ATOM 1052 C MET A 66 13.178 -13.654 6.513 1.00 74.32 C ATOM 1053 O MET A 66 11.948 -13.613 6.556 1.00 1.23 O ATOM 1054 CB MET A 66 14.341 -15.144 4.874 1.00 73.33 C ATOM 1055 CG MET A 66 15.557 -16.037 4.698 1.00 31.14 C ATOM 1056 SD MET A 66 15.150 -17.630 3.956 1.00 74.11 S ATOM 1057 CE MET A 66 16.644 -17.962 3.027 1.00 64.32 C ATOM 0 H MET A 66 12.067 -15.886 6.766 1.00 44.23 H new ATOM 0 HA MET A 66 14.793 -14.978 6.969 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.511 -15.557 4.301 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.559 -14.161 4.456 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.290 -15.527 4.073 1.00 31.14 H new ATOM 0 HG3 MET A 66 16.025 -16.202 5.669 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.781 -19.039 2.931 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.562 -17.517 2.035 1.00 64.32 H new ATOM 0 HE3 MET A 66 17.500 -17.532 3.548 1.00 64.32 H new ATOM 1067 N GLU A 67 13.942 -12.571 6.616 1.00 74.44 N ATOM 1068 CA GLU A 67 13.365 -11.244 6.793 1.00 65.21 C ATOM 1069 C GLU A 67 13.172 -10.551 5.446 1.00 21.25 C ATOM 1070 O GLU A 67 13.772 -10.940 4.444 1.00 71.54 O ATOM 1071 CB GLU A 67 14.260 -10.390 7.693 1.00 61.44 C ATOM 1072 CG GLU A 67 14.403 -10.936 9.104 1.00 20.41 C ATOM 1073 CD GLU A 67 15.358 -10.120 9.952 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.644 -8.964 9.578 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 15.819 -10.638 10.991 1.00 70.53 O ATOM 0 H GLU A 67 14.961 -12.587 6.580 1.00 74.44 H new ATOM 0 HA GLU A 67 12.390 -11.360 7.267 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.249 -10.313 7.240 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.853 -9.380 7.743 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.424 -10.955 9.583 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.755 -11.966 9.057 1.00 20.41 H new ATOM 1082 N ASP A 68 12.329 -9.525 5.432 1.00 21.12 N ATOM 1083 CA ASP A 68 12.056 -8.777 4.210 1.00 71.10 C ATOM 1084 C ASP A 68 13.353 -8.379 3.514 1.00 24.42 C ATOM 1085 O ASP A 68 13.590 -8.743 2.362 1.00 74.24 O ATOM 1086 CB ASP A 68 11.227 -7.531 4.523 1.00 64.02 C ATOM 1087 CG ASP A 68 10.010 -7.405 3.628 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.358 -8.436 3.362 1.00 12.13 O ATOM 1089 OD2 ASP A 68 9.708 -6.274 3.193 1.00 75.34 O1- ATOM 0 H ASP A 68 11.823 -9.192 6.253 1.00 21.12 H new ATOM 0 HA ASP A 68 11.489 -9.422 3.539 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.907 -7.564 5.564 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.851 -6.645 4.409 1.00 64.02 H new ATOM 1094 N ASP A 69 14.191 -7.628 4.222 1.00 45.41 N ATOM 1095 CA ASP A 69 15.465 -7.180 3.673 1.00 14.54 C ATOM 1096 C ASP A 69 16.247 -8.351 3.088 1.00 22.43 C ATOM 1097 O ASP A 69 16.877 -8.226 2.037 1.00 53.21 O ATOM 1098 CB ASP A 69 16.294 -6.486 4.755 1.00 1.15 C ATOM 1099 CG ASP A 69 16.531 -5.019 4.453 1.00 54.42 C ATOM 1100 OD1 ASP A 69 15.556 -4.321 4.104 1.00 74.02 O ATOM 1101 OD2 ASP A 69 17.689 -4.570 4.566 1.00 30.41 O1- ATOM 0 H ASP A 69 14.010 -7.317 5.177 1.00 45.41 H new ATOM 0 HA ASP A 69 15.258 -6.470 2.873 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.784 -6.579 5.714 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.254 -6.993 4.854 1.00 1.15 H new ATOM 1106 N ILE A 70 16.204 -9.487 3.776 1.00 1.14 N ATOM 1107 CA ILE A 70 16.909 -10.680 3.324 1.00 43.35 C ATOM 1108 C ILE A 70 16.355 -11.173 1.991 1.00 31.44 C ATOM 1109 O ILE A 70 17.110 -11.556 1.097 1.00 24.31 O ATOM 1110 CB ILE A 70 16.813 -11.816 4.358 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.743 -11.538 5.542 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.154 -13.151 3.713 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.212 -11.593 5.182 1.00 73.31 C ATOM 0 H ILE A 70 15.689 -9.606 4.648 1.00 1.14 H new ATOM 0 HA ILE A 70 17.955 -10.401 3.200 1.00 43.35 H new ATOM 0 HB ILE A 70 15.789 -11.864 4.727 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.514 -10.554 5.950 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.543 -12.264 6.330 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.081 -13.944 4.457 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.456 -13.351 2.900 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.169 -13.116 3.318 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.812 -11.386 6.068 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.456 -12.585 4.801 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.427 -10.847 4.417 1.00 73.31 H new ATOM 1125 N MET A 71 15.032 -11.159 1.864 1.00 71.51 N ATOM 1126 CA MET A 71 14.378 -11.604 0.639 1.00 43.30 C ATOM 1127 C MET A 71 14.979 -10.910 -0.580 1.00 65.43 C ATOM 1128 O MET A 71 15.225 -11.543 -1.606 1.00 75.00 O ATOM 1129 CB MET A 71 12.875 -11.325 0.709 1.00 72.31 C ATOM 1130 CG MET A 71 12.018 -12.501 0.269 1.00 1.33 C ATOM 1131 SD MET A 71 11.624 -13.620 1.627 1.00 74.13 S ATOM 1132 CE MET A 71 13.183 -14.481 1.820 1.00 31.24 C ATOM 0 H MET A 71 14.392 -10.845 2.594 1.00 71.51 H new ATOM 0 HA MET A 71 14.537 -12.678 0.540 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.611 -11.056 1.732 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.644 -10.463 0.083 1.00 72.31 H new ATOM 0 HG2 MET A 71 11.092 -12.127 -0.169 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.540 -13.054 -0.512 1.00 1.33 H new ATOM 0 HE1 MET A 71 13.032 -15.375 2.425 1.00 31.24 H new ATOM 0 HE2 MET A 71 13.565 -14.766 0.840 1.00 31.24 H new ATOM 0 HE3 MET A 71 13.902 -13.826 2.313 1.00 31.24 H new ATOM 1142 N PHE A 72 15.211 -9.607 -0.459 1.00 41.54 N ATOM 1143 CA PHE A 72 15.782 -8.828 -1.552 1.00 22.30 C ATOM 1144 C PHE A 72 17.239 -9.212 -1.790 1.00 43.01 C ATOM 1145 O PHE A 72 17.734 -9.144 -2.914 1.00 63.32 O ATOM 1146 CB PHE A 72 15.681 -7.332 -1.247 1.00 44.00 C ATOM 1147 CG PHE A 72 16.251 -6.460 -2.329 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.537 -6.221 -3.492 1.00 2.12 C ATOM 1149 CD2 PHE A 72 17.500 -5.880 -2.183 1.00 61.23 C ATOM 1150 CE1 PHE A 72 16.058 -5.419 -4.490 1.00 51.42 C ATOM 1151 CE2 PHE A 72 18.027 -5.077 -3.177 1.00 44.43 C ATOM 1152 CZ PHE A 72 17.305 -4.847 -4.332 1.00 61.11 C ATOM 0 H PHE A 72 15.013 -9.069 0.384 1.00 41.54 H new ATOM 0 HA PHE A 72 15.214 -9.047 -2.456 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.634 -7.070 -1.094 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.201 -7.124 -0.312 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.562 -6.667 -3.620 1.00 2.12 H new ATOM 0 HD2 PHE A 72 18.069 -6.057 -1.282 1.00 61.23 H new ATOM 0 HE1 PHE A 72 15.491 -5.240 -5.392 1.00 51.42 H new ATOM 0 HE2 PHE A 72 19.002 -4.630 -3.051 1.00 44.43 H new ATOM 0 HZ PHE A 72 17.715 -4.221 -5.110 1.00 61.11 H new ATOM 1162 N ALA A 73 17.921 -9.617 -0.724 1.00 72.11 N ATOM 1163 CA ALA A 73 19.320 -10.014 -0.816 1.00 15.10 C ATOM 1164 C ALA A 73 19.458 -11.404 -1.426 1.00 3.03 C ATOM 1165 O ALA A 73 20.098 -11.576 -2.465 1.00 20.54 O ATOM 1166 CB ALA A 73 19.972 -9.973 0.558 1.00 40.23 C ATOM 0 H ALA A 73 17.526 -9.679 0.215 1.00 72.11 H new ATOM 0 HA ALA A 73 19.830 -9.306 -1.470 1.00 15.10 H new ATOM 0 HB1 ALA A 73 21.017 -10.272 0.474 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.915 -8.960 0.958 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.452 -10.657 1.228 1.00 40.23 H new ATOM 1172 N ILE A 74 18.854 -12.394 -0.777 1.00 62.02 N ATOM 1173 CA ILE A 74 18.909 -13.769 -1.257 1.00 2.11 C ATOM 1174 C ILE A 74 18.056 -13.949 -2.507 1.00 5.14 C ATOM 1175 O ILE A 74 18.412 -14.704 -3.412 1.00 43.34 O ATOM 1176 CB ILE A 74 18.436 -14.761 -0.178 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.334 -14.672 1.057 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.425 -16.179 -0.731 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.951 -15.641 2.154 1.00 30.22 C ATOM 0 H ILE A 74 18.321 -12.269 0.083 1.00 62.02 H new ATOM 0 HA ILE A 74 19.951 -13.978 -1.499 1.00 2.11 H new ATOM 0 HB ILE A 74 17.420 -14.498 0.116 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.366 -14.861 0.760 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.297 -13.656 1.451 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.089 -16.869 0.043 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.748 -16.232 -1.583 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.431 -16.453 -1.049 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.630 -15.522 2.998 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.930 -15.438 2.478 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.016 -16.662 1.777 1.00 30.22 H new ATOM 1191 N GLY A 75 16.926 -13.248 -2.552 1.00 3.13 N ATOM 1192 CA GLY A 75 16.039 -13.344 -3.697 1.00 32.31 C ATOM 1193 C GLY A 75 16.774 -13.186 -5.014 1.00 1.25 C ATOM 1194 O GLY A 75 16.503 -13.906 -5.976 1.00 54.01 O ATOM 0 H GLY A 75 16.610 -12.616 -1.816 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.532 -14.309 -3.681 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.268 -12.578 -3.621 1.00 32.31 H new ATOM 1198 N THR A 76 17.707 -12.239 -5.060 1.00 53.52 N ATOM 1199 CA THR A 76 18.481 -11.987 -6.269 1.00 44.22 C ATOM 1200 C THR A 76 19.875 -12.595 -6.166 1.00 51.23 C ATOM 1201 O THR A 76 20.748 -12.315 -6.988 1.00 5.23 O ATOM 1202 CB THR A 76 18.610 -10.479 -6.548 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.480 -10.259 -7.664 1.00 43.24 O ATOM 1204 CG2 THR A 76 19.147 -9.746 -5.328 1.00 74.33 C ATOM 0 H THR A 76 17.944 -11.634 -4.274 1.00 53.52 H new ATOM 0 HA THR A 76 17.943 -12.457 -7.093 1.00 44.22 H new ATOM 0 HB THR A 76 17.618 -10.090 -6.779 1.00 62.11 H new ATOM 0 HG1 THR A 76 20.103 -11.011 -7.747 1.00 43.24 H new ATOM 0 HG21 THR A 76 19.229 -8.682 -5.550 1.00 74.33 H new ATOM 0 HG22 THR A 76 18.467 -9.890 -4.488 1.00 74.33 H new ATOM 0 HG23 THR A 76 20.130 -10.140 -5.070 1.00 74.33 H new ATOM 1212 N GLY A 77 20.079 -13.429 -5.151 1.00 1.41 N ATOM 1213 CA GLY A 77 21.370 -14.064 -4.960 1.00 40.44 C ATOM 1214 C GLY A 77 22.490 -13.057 -4.782 1.00 21.42 C ATOM 1215 O GLY A 77 23.635 -13.321 -5.147 1.00 72.34 O ATOM 0 H GLY A 77 19.373 -13.676 -4.457 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.327 -14.713 -4.085 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.590 -14.699 -5.818 1.00 40.44 H new ATOM 1219 N ALA A 78 22.159 -11.900 -4.219 1.00 14.03 N ATOM 1220 CA ALA A 78 23.145 -10.850 -3.992 1.00 4.53 C ATOM 1221 C ALA A 78 24.103 -11.232 -2.869 1.00 51.42 C ATOM 1222 O ALA A 78 25.310 -11.001 -2.963 1.00 12.13 O ATOM 1223 CB ALA A 78 22.452 -9.534 -3.674 1.00 15.31 C ATOM 0 H ALA A 78 21.215 -11.666 -3.911 1.00 14.03 H new ATOM 0 HA ALA A 78 23.727 -10.728 -4.905 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.201 -8.760 -3.507 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.814 -9.248 -4.510 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.844 -9.650 -2.777 1.00 15.31 H new ATOM 1229 N LEU A 79 23.560 -11.814 -1.806 1.00 34.13 N ATOM 1230 CA LEU A 79 24.366 -12.226 -0.663 1.00 54.32 C ATOM 1231 C LEU A 79 24.347 -13.742 -0.502 1.00 62.35 C ATOM 1232 O LEU A 79 23.426 -14.427 -0.945 1.00 75.14 O ATOM 1233 CB LEU A 79 23.853 -11.560 0.615 1.00 45.25 C ATOM 1234 CG LEU A 79 24.351 -10.138 0.878 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.662 -9.547 2.097 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.862 -10.126 1.058 1.00 23.31 C ATOM 0 H LEU A 79 22.564 -12.011 -1.712 1.00 34.13 H new ATOM 0 HA LEU A 79 25.394 -11.911 -0.842 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.764 -11.541 0.579 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.133 -12.184 1.464 1.00 45.25 H new ATOM 0 HG LEU A 79 24.104 -9.522 0.013 1.00 22.42 H new ATOM 0 HD11 LEU A 79 24.030 -8.535 2.268 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.586 -9.518 1.928 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.876 -10.163 2.970 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.198 -9.106 1.244 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.133 -10.757 1.904 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.339 -10.506 0.155 1.00 23.31 H new ATOM 1248 N PRO A 80 25.389 -14.281 0.150 1.00 14.00 N ATOM 1249 CA PRO A 80 25.515 -15.723 0.387 1.00 41.14 C ATOM 1250 C PRO A 80 24.493 -16.235 1.396 1.00 21.40 C ATOM 1251 O PRO A 80 24.587 -15.947 2.588 1.00 0.41 O ATOM 1252 CB PRO A 80 26.934 -15.869 0.941 1.00 72.45 C ATOM 1253 CG PRO A 80 27.242 -14.543 1.547 1.00 25.51 C ATOM 1254 CD PRO A 80 26.524 -13.525 0.704 1.00 63.44 C ATOM 0 HA PRO A 80 25.335 -16.303 -0.518 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.989 -16.666 1.683 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.643 -16.118 0.152 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.905 -14.500 2.583 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.316 -14.357 1.553 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.189 -12.675 1.299 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.166 -13.130 -0.083 1.00 63.44 H new ATOM 1262 N ALA A 81 23.518 -16.997 0.910 1.00 32.45 N ATOM 1263 CA ALA A 81 22.481 -17.551 1.770 1.00 0.14 C ATOM 1264 C ALA A 81 23.088 -18.365 2.907 1.00 23.15 C ATOM 1265 O ALA A 81 22.614 -18.315 4.043 1.00 35.22 O ATOM 1266 CB ALA A 81 21.524 -18.410 0.957 1.00 1.12 C ATOM 0 H ALA A 81 23.425 -17.244 -0.075 1.00 32.45 H new ATOM 0 HA ALA A 81 21.925 -16.722 2.208 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.754 -18.817 1.613 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.056 -17.801 0.183 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.075 -19.228 0.492 1.00 1.12 H new ATOM 1272 N LYS A 82 24.139 -19.115 2.596 1.00 52.31 N ATOM 1273 CA LYS A 82 24.813 -19.941 3.592 1.00 64.02 C ATOM 1274 C LYS A 82 25.388 -19.081 4.713 1.00 31.13 C ATOM 1275 O LYS A 82 25.174 -19.359 5.892 1.00 60.00 O ATOM 1276 CB LYS A 82 25.930 -20.757 2.937 1.00 15.40 C ATOM 1277 CG LYS A 82 25.783 -22.256 3.134 1.00 55.43 C ATOM 1278 CD LYS A 82 27.132 -22.928 3.323 1.00 25.31 C ATOM 1279 CE LYS A 82 27.710 -22.640 4.700 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.912 -21.764 4.625 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.544 -19.168 1.661 1.00 52.31 H new ATOM 0 HA LYS A 82 24.078 -20.622 4.021 1.00 64.02 H new ATOM 0 HB2 LYS A 82 25.949 -20.539 1.869 1.00 15.40 H new ATOM 0 HB3 LYS A 82 26.889 -20.438 3.345 1.00 15.40 H new ATOM 0 HG2 LYS A 82 25.154 -22.450 4.003 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.277 -22.689 2.271 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.025 -24.005 3.190 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.824 -22.579 2.557 1.00 25.31 H new ATOM 0 HE2 LYS A 82 26.951 -22.163 5.320 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.975 -23.579 5.186 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.941 -21.143 5.459 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 29.769 -22.352 4.601 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.866 -21.184 3.763 1.00 1.31 H new ATOM 1294 N GLU A 83 26.118 -18.035 4.335 1.00 54.33 N ATOM 1295 CA GLU A 83 26.723 -17.136 5.310 1.00 72.13 C ATOM 1296 C GLU A 83 25.652 -16.427 6.134 1.00 22.30 C ATOM 1297 O GLU A 83 25.751 -16.340 7.358 1.00 41.13 O ATOM 1298 CB GLU A 83 27.605 -16.102 4.605 1.00 33.31 C ATOM 1299 CG GLU A 83 29.091 -16.299 4.853 1.00 73.20 C ATOM 1300 CD GLU A 83 29.578 -15.567 6.089 1.00 31.14 C ATOM 1301 OE1 GLU A 83 29.489 -14.321 6.113 1.00 4.11 O ATOM 1302 OE2 GLU A 83 30.046 -16.239 7.031 1.00 42.32 O1- ATOM 0 H GLU A 83 26.304 -17.790 3.362 1.00 54.33 H new ATOM 0 HA GLU A 83 27.340 -17.733 5.982 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.415 -16.146 3.533 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.319 -15.105 4.939 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.300 -17.363 4.960 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.650 -15.950 3.985 1.00 73.20 H new ATOM 1309 N ALA A 84 24.627 -15.923 5.454 1.00 31.35 N ATOM 1310 CA ALA A 84 23.537 -15.224 6.124 1.00 33.22 C ATOM 1311 C ALA A 84 22.981 -16.050 7.279 1.00 0.53 C ATOM 1312 O ALA A 84 22.854 -15.560 8.400 1.00 54.02 O ATOM 1313 CB ALA A 84 22.433 -14.894 5.129 1.00 63.32 C ATOM 0 H ALA A 84 24.529 -15.986 4.441 1.00 31.35 H new ATOM 0 HA ALA A 84 23.932 -14.295 6.535 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.625 -14.372 5.642 1.00 63.32 H new ATOM 0 HB2 ALA A 84 22.833 -14.257 4.340 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.050 -15.816 4.692 1.00 63.32 H new ATOM 1319 N MET A 85 22.652 -17.306 6.996 1.00 15.31 N ATOM 1320 CA MET A 85 22.110 -18.201 8.013 1.00 72.33 C ATOM 1321 C MET A 85 23.210 -18.685 8.952 1.00 13.11 C ATOM 1322 O MET A 85 22.950 -19.020 10.108 1.00 65.35 O ATOM 1323 CB MET A 85 21.422 -19.398 7.355 1.00 14.13 C ATOM 1324 CG MET A 85 20.162 -19.029 6.588 1.00 2.33 C ATOM 1325 SD MET A 85 19.706 -20.270 5.363 1.00 30.31 S ATOM 1326 CE MET A 85 19.676 -19.279 3.872 1.00 34.22 C ATOM 0 H MET A 85 22.751 -17.727 6.072 1.00 15.31 H new ATOM 0 HA MET A 85 21.376 -17.645 8.597 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.123 -19.881 6.675 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.169 -20.129 8.123 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.339 -18.898 7.291 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.312 -18.071 6.090 1.00 2.33 H new ATOM 0 HE1 MET A 85 18.886 -19.638 3.212 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.487 -18.237 4.131 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.637 -19.358 3.363 1.00 34.22 H new ATOM 1336 N ALA A 86 24.439 -18.720 8.449 1.00 22.40 N ATOM 1337 CA ALA A 86 25.579 -19.162 9.244 1.00 24.14 C ATOM 1338 C ALA A 86 25.795 -18.250 10.447 1.00 44.20 C ATOM 1339 O ALA A 86 26.268 -18.691 11.494 1.00 35.33 O ATOM 1340 CB ALA A 86 26.833 -19.211 8.385 1.00 41.43 C ATOM 0 H ALA A 86 24.671 -18.447 7.494 1.00 22.40 H new ATOM 0 HA ALA A 86 25.366 -20.165 9.615 1.00 24.14 H new ATOM 0 HB1 ALA A 86 27.676 -19.542 8.991 1.00 41.43 H new ATOM 0 HB2 ALA A 86 26.682 -19.908 7.561 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.040 -18.218 7.987 1.00 41.43 H new ATOM 1346 N GLN A 87 25.444 -16.977 10.291 1.00 21.33 N ATOM 1347 CA GLN A 87 25.601 -16.004 11.366 1.00 11.30 C ATOM 1348 C GLN A 87 24.369 -15.982 12.263 1.00 13.12 C ATOM 1349 O GLN A 87 24.047 -14.957 12.866 1.00 34.44 O ATOM 1350 CB GLN A 87 25.852 -14.611 10.787 1.00 62.44 C ATOM 1351 CG GLN A 87 27.242 -14.439 10.196 1.00 22.40 C ATOM 1352 CD GLN A 87 27.308 -13.317 9.177 1.00 42.41 C ATOM 1353 OE1 GLN A 87 26.395 -12.496 9.080 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.392 -13.276 8.411 1.00 23.23 N ATOM 0 H GLN A 87 25.049 -16.596 9.431 1.00 21.33 H new ATOM 0 HA GLN A 87 26.460 -16.299 11.968 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.110 -14.409 10.014 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.705 -13.869 11.572 1.00 62.44 H new ATOM 0 HG2 GLN A 87 27.952 -14.238 10.999 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.550 -15.372 9.724 1.00 22.40 H new ATOM 0 HE21 GLN A 87 29.124 -13.977 8.526 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.492 -12.544 7.708 1.00 23.23 H new ATOM 1363 N ASP A 88 23.683 -17.116 12.348 1.00 74.43 N ATOM 1364 CA ASP A 88 22.485 -17.226 13.173 1.00 30.11 C ATOM 1365 C ASP A 88 21.534 -16.063 12.907 1.00 61.34 C ATOM 1366 O ASP A 88 20.746 -15.682 13.773 1.00 12.20 O ATOM 1367 CB ASP A 88 22.863 -17.265 14.655 1.00 42.33 C ATOM 1368 CG ASP A 88 23.433 -18.605 15.073 1.00 10.02 C ATOM 1369 OD1 ASP A 88 24.617 -18.867 14.771 1.00 73.51 O ATOM 1370 OD2 ASP A 88 22.697 -19.393 15.701 1.00 1.01 O1- ATOM 0 H ASP A 88 23.936 -17.973 11.856 1.00 74.43 H new ATOM 0 HA ASP A 88 21.977 -18.154 12.912 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.594 -16.483 14.861 1.00 42.33 H new ATOM 0 HB3 ASP A 88 21.982 -17.045 15.257 1.00 42.33 H new ATOM 1375 N LYS A 89 21.613 -15.503 11.705 1.00 0.12 N ATOM 1376 CA LYS A 89 20.760 -14.384 11.324 1.00 50.20 C ATOM 1377 C LYS A 89 19.431 -14.880 10.762 1.00 23.34 C ATOM 1378 O LYS A 89 18.581 -14.085 10.362 1.00 54.12 O ATOM 1379 CB LYS A 89 21.467 -13.506 10.290 1.00 12.11 C ATOM 1380 CG LYS A 89 21.791 -12.111 10.795 1.00 1.11 C ATOM 1381 CD LYS A 89 22.250 -11.201 9.669 1.00 0.51 C ATOM 1382 CE LYS A 89 23.094 -10.050 10.191 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.274 -9.052 10.932 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.260 -15.806 10.977 1.00 0.12 H new ATOM 0 HA LYS A 89 20.559 -13.792 12.217 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.391 -13.995 9.982 1.00 12.11 H new ATOM 0 HB3 LYS A 89 20.838 -13.425 9.404 1.00 12.11 H new ATOM 0 HG2 LYS A 89 20.910 -11.683 11.273 1.00 1.11 H new ATOM 0 HG3 LYS A 89 22.569 -12.171 11.556 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.827 -11.778 8.946 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.381 -10.807 9.142 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.873 -10.439 10.847 1.00 23.00 H new ATOM 0 HE3 LYS A 89 23.596 -9.560 9.357 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.886 -8.283 11.272 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.547 -8.662 10.299 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.815 -9.513 11.743 1.00 64.21 H new ATOM 1397 N MET A 90 19.260 -16.197 10.737 1.00 61.54 N ATOM 1398 CA MET A 90 18.032 -16.798 10.227 1.00 34.14 C ATOM 1399 C MET A 90 17.873 -18.227 10.739 1.00 23.11 C ATOM 1400 O MET A 90 18.856 -18.896 11.053 1.00 52.43 O ATOM 1401 CB MET A 90 18.033 -16.790 8.697 1.00 63.10 C ATOM 1402 CG MET A 90 17.519 -15.491 8.097 1.00 53.24 C ATOM 1403 SD MET A 90 18.816 -14.542 7.281 1.00 10.12 S ATOM 1404 CE MET A 90 19.070 -15.519 5.800 1.00 55.23 C ATOM 0 H MET A 90 19.955 -16.869 11.063 1.00 61.54 H new ATOM 0 HA MET A 90 17.190 -16.206 10.586 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.048 -16.969 8.341 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.419 -17.615 8.337 1.00 63.10 H new ATOM 0 HG2 MET A 90 16.731 -15.714 7.378 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.071 -14.884 8.884 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.032 -16.028 5.860 1.00 55.23 H new ATOM 0 HE2 MET A 90 18.274 -16.258 5.711 1.00 55.23 H new ATOM 0 HE3 MET A 90 19.059 -14.866 4.927 1.00 55.23 H new ATOM 1414 N GLU A 91 16.627 -18.686 10.820 1.00 65.45 N ATOM 1415 CA GLU A 91 16.341 -20.034 11.295 1.00 11.40 C ATOM 1416 C GLU A 91 15.551 -20.822 10.254 1.00 34.33 C ATOM 1417 O GLU A 91 14.372 -20.558 10.022 1.00 12.44 O ATOM 1418 CB GLU A 91 15.560 -19.980 12.610 1.00 33.13 C ATOM 1419 CG GLU A 91 16.361 -19.418 13.772 1.00 21.12 C ATOM 1420 CD GLU A 91 17.204 -20.472 14.463 1.00 24.32 C ATOM 1421 OE1 GLU A 91 16.651 -21.530 14.828 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 18.419 -20.239 14.638 1.00 51.55 O ATOM 0 H GLU A 91 15.802 -18.145 10.563 1.00 65.45 H new ATOM 0 HA GLU A 91 17.291 -20.541 11.465 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.667 -19.371 12.467 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.224 -20.985 12.864 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.009 -18.620 13.410 1.00 21.12 H new ATOM 0 HG3 GLU A 91 15.679 -18.971 14.496 1.00 21.12 H new ATOM 1429 N VAL A 92 16.212 -21.790 9.628 1.00 4.22 N ATOM 1430 CA VAL A 92 15.573 -22.617 8.610 1.00 10.32 C ATOM 1431 C VAL A 92 15.547 -24.082 9.030 1.00 5.13 C ATOM 1432 O VAL A 92 16.512 -24.592 9.602 1.00 24.13 O ATOM 1433 CB VAL A 92 16.293 -22.496 7.255 1.00 74.54 C ATOM 1434 CG1 VAL A 92 16.040 -21.130 6.635 1.00 44.34 C ATOM 1435 CG2 VAL A 92 17.785 -22.748 7.420 1.00 24.44 C ATOM 0 H VAL A 92 17.189 -22.021 9.807 1.00 4.22 H new ATOM 0 HA VAL A 92 14.551 -22.254 8.503 1.00 10.32 H new ATOM 0 HB VAL A 92 15.892 -23.253 6.582 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.557 -21.063 5.678 1.00 44.34 H new ATOM 0 HG12 VAL A 92 14.970 -20.994 6.480 1.00 44.34 H new ATOM 0 HG13 VAL A 92 16.412 -20.353 7.303 1.00 44.34 H new ATOM 0 HG21 VAL A 92 18.278 -22.658 6.452 1.00 24.44 H new ATOM 0 HG22 VAL A 92 18.204 -22.015 8.110 1.00 24.44 H new ATOM 0 HG23 VAL A 92 17.943 -23.751 7.816 1.00 24.44 H new ATOM 1445 N ASP A 93 14.438 -24.755 8.744 1.00 5.23 N ATOM 1446 CA ASP A 93 14.285 -26.163 9.090 1.00 71.33 C ATOM 1447 C ASP A 93 13.783 -26.965 7.895 1.00 3.43 C ATOM 1448 O ASP A 93 12.653 -26.784 7.444 1.00 70.13 O ATOM 1449 CB ASP A 93 13.322 -26.319 10.268 1.00 63.55 C ATOM 1450 CG ASP A 93 13.595 -25.323 11.377 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.679 -25.400 11.990 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 12.724 -24.464 11.630 1.00 3.05 O ATOM 0 H ASP A 93 13.631 -24.347 8.273 1.00 5.23 H new ATOM 0 HA ASP A 93 15.263 -26.549 9.378 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.298 -26.193 9.915 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.400 -27.331 10.666 1.00 63.55 H new ATOM 1457 N GLY A 94 14.632 -27.854 7.385 1.00 62.44 N ATOM 1458 CA GLY A 94 14.255 -28.669 6.246 1.00 54.13 C ATOM 1459 C GLY A 94 15.443 -29.372 5.618 1.00 34.44 C ATOM 1460 O GLY A 94 16.592 -29.060 5.931 1.00 31.24 O ATOM 0 H GLY A 94 15.573 -28.023 7.741 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.522 -29.412 6.561 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.771 -28.041 5.498 1.00 54.13 H new ATOM 1464 N GLN A 95 15.166 -30.323 4.732 1.00 20.11 N ATOM 1465 CA GLN A 95 16.222 -31.072 4.061 1.00 74.11 C ATOM 1466 C GLN A 95 17.210 -30.131 3.381 1.00 14.41 C ATOM 1467 O GLN A 95 16.852 -29.402 2.457 1.00 70.12 O ATOM 1468 CB GLN A 95 15.621 -32.030 3.032 1.00 43.12 C ATOM 1469 CG GLN A 95 16.015 -33.483 3.250 1.00 5.44 C ATOM 1470 CD GLN A 95 17.511 -33.703 3.145 1.00 62.14 C ATOM 1471 OE1 GLN A 95 18.259 -33.415 4.080 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.956 -34.217 2.005 1.00 15.42 N ATOM 0 H GLN A 95 14.220 -30.593 4.462 1.00 20.11 H new ATOM 0 HA GLN A 95 16.758 -31.649 4.814 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.535 -31.948 3.063 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.935 -31.723 2.035 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.672 -33.805 4.233 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.507 -34.108 2.515 1.00 5.44 H new ATOM 0 HE21 GLN A 95 17.301 -34.441 1.256 1.00 15.42 H new ATOM 0 HE22 GLN A 95 18.953 -34.388 1.878 1.00 15.42 H new ATOM 1481 N VAL A 96 18.455 -30.152 3.845 1.00 3.03 N ATOM 1482 CA VAL A 96 19.496 -29.301 3.281 1.00 31.30 C ATOM 1483 C VAL A 96 19.427 -29.285 1.758 1.00 11.34 C ATOM 1484 O VAL A 96 19.565 -28.234 1.132 1.00 40.02 O ATOM 1485 CB VAL A 96 20.899 -29.765 3.715 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.970 -28.887 3.089 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.014 -29.763 5.232 1.00 14.52 C ATOM 0 H VAL A 96 18.768 -30.749 4.610 1.00 3.03 H new ATOM 0 HA VAL A 96 19.321 -28.295 3.661 1.00 31.30 H new ATOM 0 HB VAL A 96 21.050 -30.785 3.363 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.954 -29.231 3.408 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.899 -28.945 2.003 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.826 -27.854 3.407 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.011 -30.093 5.522 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.842 -28.755 5.609 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.271 -30.440 5.654 1.00 14.52 H new ATOM 1497 N GLU A 97 19.213 -30.457 1.168 1.00 74.25 N ATOM 1498 CA GLU A 97 19.126 -30.577 -0.282 1.00 11.51 C ATOM 1499 C GLU A 97 17.946 -29.776 -0.825 1.00 42.00 C ATOM 1500 O GLU A 97 18.084 -29.024 -1.791 1.00 42.22 O ATOM 1501 CB GLU A 97 18.988 -32.046 -0.688 1.00 74.24 C ATOM 1502 CG GLU A 97 20.220 -32.605 -1.380 1.00 53.13 C ATOM 1503 CD GLU A 97 20.221 -32.336 -2.873 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.336 -32.870 -3.573 1.00 41.00 O1- ATOM 1505 OE2 GLU A 97 21.110 -31.593 -3.339 1.00 51.11 O ATOM 0 H GLU A 97 19.097 -31.336 1.672 1.00 74.25 H new ATOM 0 HA GLU A 97 20.044 -30.174 -0.709 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.779 -32.642 0.201 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.130 -32.152 -1.351 1.00 74.24 H new ATOM 0 HG2 GLU A 97 21.113 -32.167 -0.935 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.273 -33.680 -1.208 1.00 53.13 H new ATOM 1512 N LEU A 98 16.787 -29.943 -0.198 1.00 4.22 N ATOM 1513 CA LEU A 98 15.582 -29.236 -0.617 1.00 45.51 C ATOM 1514 C LEU A 98 15.862 -27.749 -0.808 1.00 62.10 C ATOM 1515 O LEU A 98 15.587 -27.186 -1.868 1.00 75.13 O ATOM 1516 CB LEU A 98 14.469 -29.430 0.413 1.00 63.45 C ATOM 1517 CG LEU A 98 13.545 -30.626 0.186 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.442 -30.270 -0.800 1.00 70.31 C ATOM 1519 CD2 LEU A 98 14.338 -31.826 -0.310 1.00 24.12 C ATOM 0 H LEU A 98 16.656 -30.562 0.602 1.00 4.22 H new ATOM 0 HA LEU A 98 15.260 -29.651 -1.572 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.926 -29.531 1.397 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.861 -28.526 0.436 1.00 63.45 H new ATOM 0 HG LEU A 98 13.083 -30.889 1.138 1.00 24.15 H new ATOM 0 HD11 LEU A 98 11.794 -31.134 -0.949 1.00 70.31 H new ATOM 0 HD12 LEU A 98 11.855 -29.440 -0.406 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.885 -29.980 -1.753 1.00 70.31 H new ATOM 0 HD21 LEU A 98 13.664 -32.668 -0.466 1.00 24.12 H new ATOM 0 HD22 LEU A 98 14.828 -31.575 -1.250 1.00 24.12 H new ATOM 0 HD23 LEU A 98 15.091 -32.096 0.431 1.00 24.12 H new ATOM 1531 N ILE A 99 16.409 -27.119 0.225 1.00 14.23 N ATOM 1532 CA ILE A 99 16.729 -25.697 0.170 1.00 35.14 C ATOM 1533 C ILE A 99 17.874 -25.429 -0.801 1.00 52.03 C ATOM 1534 O ILE A 99 18.102 -24.289 -1.210 1.00 51.23 O ATOM 1535 CB ILE A 99 17.110 -25.151 1.559 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.355 -25.868 2.089 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.948 -25.311 2.528 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.103 -25.080 3.141 1.00 52.41 C ATOM 0 H ILE A 99 16.640 -27.570 1.110 1.00 14.23 H new ATOM 0 HA ILE A 99 15.832 -25.185 -0.179 1.00 35.14 H new ATOM 0 HB ILE A 99 17.337 -24.089 1.466 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.060 -26.830 2.508 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.027 -26.076 1.256 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.233 -24.921 3.505 1.00 43.42 H new ATOM 0 HG22 ILE A 99 15.085 -24.760 2.155 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.693 -26.367 2.619 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.973 -25.648 3.471 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.429 -24.129 2.720 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.447 -24.894 3.991 1.00 52.41 H new ATOM 1550 N PHE A 100 18.592 -26.485 -1.168 1.00 71.24 N ATOM 1551 CA PHE A 100 19.713 -26.364 -2.093 1.00 72.33 C ATOM 1552 C PHE A 100 19.241 -26.488 -3.538 1.00 42.50 C ATOM 1553 O PHE A 100 19.990 -26.202 -4.474 1.00 71.51 O ATOM 1554 CB PHE A 100 20.766 -27.433 -1.793 1.00 70.10 C ATOM 1555 CG PHE A 100 22.170 -26.995 -2.103 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.645 -27.017 -3.403 1.00 32.30 C ATOM 1557 CD2 PHE A 100 23.013 -26.562 -1.092 1.00 64.21 C ATOM 1558 CE1 PHE A 100 23.935 -26.614 -3.691 1.00 55.43 C ATOM 1559 CE2 PHE A 100 24.304 -26.159 -1.374 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.767 -26.185 -2.675 1.00 4.43 C ATOM 0 H PHE A 100 18.418 -27.435 -0.839 1.00 71.24 H new ATOM 0 HA PHE A 100 20.159 -25.378 -1.959 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.704 -27.708 -0.740 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.537 -28.329 -2.370 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.000 -27.353 -4.201 1.00 32.30 H new ATOM 0 HD2 PHE A 100 22.657 -26.539 -0.073 1.00 64.21 H new ATOM 0 HE1 PHE A 100 24.293 -26.634 -4.710 1.00 55.43 H new ATOM 0 HE2 PHE A 100 24.951 -25.824 -0.577 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.776 -25.871 -2.897 1.00 4.43 H new ATOM 1570 N LEU A 101 17.997 -26.919 -3.714 1.00 25.32 N ATOM 1571 CA LEU A 101 17.425 -27.083 -5.045 1.00 40.32 C ATOM 1572 C LEU A 101 17.079 -25.730 -5.659 1.00 65.23 C ATOM 1573 O LEU A 101 17.283 -25.509 -6.854 1.00 62.41 O ATOM 1574 CB LEU A 101 16.174 -27.961 -4.979 1.00 25.44 C ATOM 1575 CG LEU A 101 16.284 -29.223 -4.123 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.059 -30.104 -4.311 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.553 -29.990 -4.464 1.00 22.30 C ATOM 0 H LEU A 101 17.365 -27.161 -2.951 1.00 25.32 H new ATOM 0 HA LEU A 101 18.169 -27.568 -5.677 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.351 -27.357 -4.597 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.908 -28.257 -5.994 1.00 25.44 H new ATOM 0 HG LEU A 101 16.334 -28.925 -3.076 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.155 -30.997 -3.694 1.00 4.34 H new ATOM 0 HD12 LEU A 101 14.166 -29.553 -4.015 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.976 -30.394 -5.359 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.615 -30.885 -3.845 1.00 22.30 H new ATOM 0 HD22 LEU A 101 17.533 -30.277 -5.515 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.421 -29.359 -4.276 1.00 22.30 H new ATOM 1589 N LEU A 102 16.557 -24.828 -4.836 1.00 30.55 N ATOM 1590 CA LEU A 102 16.185 -23.495 -5.297 1.00 44.41 C ATOM 1591 C LEU A 102 17.375 -22.542 -5.226 1.00 35.10 C ATOM 1592 O LEU A 102 17.279 -21.385 -5.633 1.00 24.35 O ATOM 1593 CB LEU A 102 15.029 -22.948 -4.458 1.00 74.32 C ATOM 1594 CG LEU A 102 13.639 -23.491 -4.795 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.473 -24.903 -4.256 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.559 -22.575 -4.239 1.00 31.25 C ATOM 0 H LEU A 102 16.382 -24.995 -3.845 1.00 30.55 H new ATOM 0 HA LEU A 102 15.867 -23.573 -6.337 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.236 -23.160 -3.409 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.009 -21.864 -4.566 1.00 74.32 H new ATOM 0 HG LEU A 102 13.536 -23.524 -5.880 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.478 -25.273 -4.505 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.225 -25.554 -4.703 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.597 -24.896 -3.173 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.577 -22.977 -4.488 1.00 31.25 H new ATOM 0 HD22 LEU A 102 12.660 -22.509 -3.156 1.00 31.25 H new ATOM 0 HD23 LEU A 102 12.665 -21.581 -4.674 1.00 31.25 H new ATOM 1608 N GLU A 103 18.495 -23.039 -4.710 1.00 43.15 N ATOM 1609 CA GLU A 103 19.703 -22.232 -4.588 1.00 3.21 C ATOM 1610 C GLU A 103 20.224 -21.823 -5.963 1.00 63.23 C ATOM 1611 O GLU A 103 20.434 -20.644 -6.249 1.00 12.34 O ATOM 1612 CB GLU A 103 20.784 -23.004 -3.830 1.00 45.21 C ATOM 1613 CG GLU A 103 20.934 -22.574 -2.380 1.00 43.34 C ATOM 1614 CD GLU A 103 22.210 -23.094 -1.746 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.287 -22.915 -2.352 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.132 -23.680 -0.646 1.00 12.12 O1- ATOM 0 H GLU A 103 18.591 -23.996 -4.370 1.00 43.15 H new ATOM 0 HA GLU A 103 19.452 -21.330 -4.030 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.549 -24.068 -3.862 1.00 45.21 H new ATOM 0 HB3 GLU A 103 21.738 -22.872 -4.340 1.00 45.21 H new ATOM 0 HG2 GLU A 103 20.923 -21.485 -2.325 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.077 -22.931 -1.809 1.00 43.34 H new ATOM 1623 N PRO A 104 20.439 -22.819 -6.835 1.00 1.41 N ATOM 1624 CA PRO A 104 20.938 -22.589 -8.193 1.00 73.13 C ATOM 1625 C PRO A 104 19.906 -21.902 -9.082 1.00 4.23 C ATOM 1626 O PRO A 104 20.203 -21.520 -10.214 1.00 22.01 O ATOM 1627 CB PRO A 104 21.232 -24.000 -8.707 1.00 53.34 C ATOM 1628 CG PRO A 104 20.332 -24.886 -7.917 1.00 15.34 C ATOM 1629 CD PRO A 104 20.210 -24.248 -6.562 1.00 52.44 C ATOM 0 HA PRO A 104 21.805 -21.928 -8.202 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.031 -24.082 -9.775 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.279 -24.265 -8.559 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.357 -24.977 -8.395 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.744 -25.892 -7.839 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.227 -24.421 -6.124 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.945 -24.646 -5.863 1.00 52.44 H new ATOM 1637 N PHE A 105 18.693 -21.750 -8.562 1.00 2.15 N ATOM 1638 CA PHE A 105 17.616 -21.109 -9.309 1.00 32.10 C ATOM 1639 C PHE A 105 17.506 -19.631 -8.945 1.00 31.15 C ATOM 1640 O PHE A 105 16.878 -18.850 -9.660 1.00 64.30 O ATOM 1641 CB PHE A 105 16.287 -21.815 -9.034 1.00 54.33 C ATOM 1642 CG PHE A 105 16.110 -23.085 -9.816 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.210 -23.791 -10.276 1.00 1.41 C ATOM 1644 CD2 PHE A 105 14.842 -23.574 -10.092 1.00 74.43 C ATOM 1645 CE1 PHE A 105 17.050 -24.959 -10.995 1.00 3.32 C ATOM 1646 CE2 PHE A 105 14.676 -24.742 -10.810 1.00 11.53 C ATOM 1647 CZ PHE A 105 15.781 -25.436 -11.263 1.00 12.30 C ATOM 0 H PHE A 105 18.431 -22.062 -7.627 1.00 2.15 H new ATOM 0 HA PHE A 105 17.847 -21.186 -10.371 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.218 -22.040 -7.970 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.468 -21.135 -9.270 1.00 54.33 H new ATOM 0 HD1 PHE A 105 18.204 -23.423 -10.070 1.00 1.41 H new ATOM 0 HD2 PHE A 105 13.974 -23.035 -9.741 1.00 74.43 H new ATOM 0 HE1 PHE A 105 17.916 -25.499 -11.348 1.00 3.32 H new ATOM 0 HE2 PHE A 105 13.683 -25.112 -11.017 1.00 11.53 H new ATOM 0 HZ PHE A 105 15.654 -26.349 -11.825 1.00 12.30 H new ATOM 1657 N ILE A 106 18.120 -19.257 -7.827 1.00 24.22 N ATOM 1658 CA ILE A 106 18.090 -17.874 -7.367 1.00 75.54 C ATOM 1659 C ILE A 106 18.650 -16.930 -8.427 1.00 2.34 C ATOM 1660 O ILE A 106 18.129 -15.835 -8.635 1.00 3.54 O ATOM 1661 CB ILE A 106 18.891 -17.696 -6.064 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.134 -18.314 -4.887 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.166 -16.223 -5.808 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.039 -18.820 -3.785 1.00 25.24 C ATOM 0 H ILE A 106 18.644 -19.892 -7.224 1.00 24.22 H new ATOM 0 HA ILE A 106 17.045 -17.627 -7.178 1.00 75.54 H new ATOM 0 HB ILE A 106 19.846 -18.211 -6.169 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.452 -17.571 -4.474 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.523 -19.139 -5.252 1.00 1.44 H new ATOM 0 HG21 ILE A 106 19.733 -16.114 -4.883 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.741 -15.811 -6.637 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.221 -15.686 -5.720 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.434 -19.245 -2.984 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.704 -19.587 -4.183 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.632 -17.994 -3.393 1.00 25.24 H new ATOM 1676 N ALA A 107 19.713 -17.365 -9.096 1.00 3.35 N ATOM 1677 CA ALA A 107 20.342 -16.561 -10.137 1.00 34.20 C ATOM 1678 C ALA A 107 19.379 -16.310 -11.292 1.00 53.41 C ATOM 1679 O ALA A 107 19.355 -15.221 -11.867 1.00 32.33 O ATOM 1680 CB ALA A 107 21.606 -17.243 -10.639 1.00 64.22 C ATOM 0 H ALA A 107 20.156 -18.269 -8.936 1.00 3.35 H new ATOM 0 HA ALA A 107 20.610 -15.597 -9.706 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.065 -16.632 -11.416 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.306 -17.366 -9.813 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.354 -18.221 -11.049 1.00 64.22 H new ATOM 1686 N SER A 108 18.588 -17.324 -11.629 1.00 21.15 N ATOM 1687 CA SER A 108 17.626 -17.214 -12.720 1.00 44.42 C ATOM 1688 C SER A 108 16.772 -15.959 -12.567 1.00 32.13 C ATOM 1689 O SER A 108 16.313 -15.382 -13.553 1.00 64.31 O ATOM 1690 CB SER A 108 16.729 -18.453 -12.764 1.00 55.01 C ATOM 1691 OG SER A 108 17.500 -19.642 -12.729 1.00 5.42 O ATOM 0 H SER A 108 18.594 -18.231 -11.162 1.00 21.15 H new ATOM 0 HA SER A 108 18.181 -17.143 -13.655 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.040 -18.437 -11.919 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.123 -18.435 -13.670 1.00 55.01 H new ATOM 0 HG SER A 108 16.904 -20.419 -12.756 1.00 5.42 H new