USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 126:sc= 0.834 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.721 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0655 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 0.385 (180deg=-0.0371) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 0.406 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.32 (180deg=2.03) USER MOD Single : A 2 GLN : amide:sc= 0.0811 X(o=0.081,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00486) USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.0905 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.519 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.43 (180deg=1.39) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.23 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.097) USER MOD Single : A 33 LYS NZ :NH3+ -150:sc= 1.31 (180deg=1.27) USER MOD Single : A 40 GLN : amide:sc= -0.237 K(o=-0.24,f=-3.5!) USER MOD Single : A 41 GLN : amide:sc= 0.223 K(o=0.22,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.691 K(o=-0.69,f=-6.9!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.745 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 1.15 (180deg=0.41) USER MOD Single : A 65 SER OG : rot 78:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.105 -7.563 -5.136 1.00 9.67 N ATOM 2 CA MET A 1 11.099 -7.653 -3.647 1.00 10.38 C ATOM 3 C MET A 1 9.740 -7.741 -3.035 1.00 9.62 C ATOM 4 O MET A 1 8.801 -7.016 -3.430 1.00 9.62 O ATOM 5 CB MET A 1 11.893 -6.497 -2.958 1.00 13.77 C ATOM 6 CG MET A 1 11.172 -5.031 -2.945 1.00 16.29 C ATOM 7 SD MET A 1 12.291 -3.683 -2.465 1.00 17.17 S ATOM 8 CE MET A 1 11.078 -2.347 -2.386 1.00 16.11 C ATOM 0 H1 MET A 1 12.048 -7.270 -5.462 1.00 9.67 H new ATOM 0 H2 MET A 1 10.872 -8.492 -5.541 1.00 9.67 H new ATOM 0 H3 MET A 1 10.399 -6.864 -5.444 1.00 9.67 H new ATOM 0 HA MET A 1 11.607 -8.599 -3.459 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.095 -6.788 -1.927 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.857 -6.400 -3.457 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.769 -4.823 -3.936 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.328 -5.055 -2.256 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.576 -1.420 -2.102 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.609 -2.223 -3.362 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.316 -2.591 -1.646 1.00 16.11 H new ATOM 20 N GLN A 2 9.616 -8.602 -2.016 1.00 9.27 N ATOM 21 CA GLN A 2 8.413 -8.882 -1.246 1.00 9.07 C ATOM 22 C GLN A 2 8.132 -7.727 -0.320 1.00 8.72 C ATOM 23 O GLN A 2 8.997 -7.071 0.207 1.00 8.22 O ATOM 24 CB GLN A 2 8.465 -10.209 -0.446 1.00 14.46 C ATOM 25 CG GLN A 2 8.476 -11.402 -1.443 1.00 17.01 C ATOM 26 CD GLN A 2 8.261 -12.800 -0.860 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.235 -13.432 -1.132 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.192 -13.288 -0.010 1.00 19.49 N ATOM 0 H GLN A 2 10.410 -9.154 -1.692 1.00 9.27 H new ATOM 0 HA GLN A 2 7.605 -9.005 -1.967 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.356 -10.235 0.182 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.604 -10.282 0.219 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.703 -11.225 -2.191 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.432 -11.397 -1.966 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.030 -12.744 0.196 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.057 -14.200 0.425 1.00 19.49 H new ATOM 37 N ILE A 3 6.853 -7.416 -0.182 1.00 5.87 N ATOM 38 CA ILE A 3 6.366 -6.586 0.935 1.00 5.07 C ATOM 39 C ILE A 3 5.102 -7.217 1.333 1.00 4.01 C ATOM 40 O ILE A 3 4.527 -7.934 0.460 1.00 4.61 O ATOM 41 CB ILE A 3 6.157 -5.128 0.586 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.438 -4.825 -0.801 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.495 -4.423 0.564 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.857 -3.426 -0.891 1.00 10.83 C ATOM 0 H ILE A 3 6.123 -7.721 -0.826 1.00 5.87 H new ATOM 0 HA ILE A 3 7.109 -6.553 1.732 1.00 5.07 H new ATOM 0 HB ILE A 3 5.482 -4.765 1.361 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.155 -4.965 -1.610 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.640 -5.551 -0.953 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.349 -3.372 0.313 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.963 -4.500 1.545 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.139 -4.888 -0.182 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.383 -3.291 -1.863 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.116 -3.288 -0.104 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.654 -2.692 -0.771 1.00 10.83 H new ATOM 56 N PHE A 4 4.721 -7.027 2.611 1.00 4.55 N ATOM 57 CA PHE A 4 3.564 -7.662 3.216 1.00 4.68 C ATOM 58 C PHE A 4 2.523 -6.609 3.604 1.00 5.30 C ATOM 59 O PHE A 4 2.838 -5.579 4.150 1.00 5.58 O ATOM 60 CB PHE A 4 3.816 -8.375 4.580 1.00 4.83 C ATOM 61 CG PHE A 4 4.817 -9.430 4.444 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.486 -10.582 3.765 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.072 -9.395 5.163 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.376 -11.659 3.637 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.026 -10.417 4.970 1.00 10.61 C ATOM 66 CZ PHE A 4 6.611 -11.582 4.279 1.00 8.90 C ATOM 0 H PHE A 4 5.226 -6.415 3.252 1.00 4.55 H new ATOM 0 HA PHE A 4 3.265 -8.380 2.452 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.149 -7.646 5.319 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.883 -8.800 4.950 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.507 -10.659 3.315 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.279 -8.586 5.848 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.110 -12.528 3.054 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.037 -10.315 5.336 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.271 -12.436 4.249 1.00 8.90 H new ATOM 76 N VAL A 5 1.285 -6.925 3.355 1.00 4.44 N ATOM 77 CA VAL A 5 0.246 -5.867 3.537 1.00 3.87 C ATOM 78 C VAL A 5 -0.851 -6.539 4.356 1.00 4.93 C ATOM 79 O VAL A 5 -1.291 -7.635 4.057 1.00 6.84 O ATOM 80 CB VAL A 5 -0.277 -5.290 2.203 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.385 -4.293 2.567 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.875 -4.555 1.572 1.00 9.13 C ATOM 0 H VAL A 5 0.951 -7.837 3.044 1.00 4.44 H new ATOM 0 HA VAL A 5 0.655 -4.992 4.043 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.658 -6.052 1.523 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.792 -3.853 1.657 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.178 -4.811 3.106 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.973 -3.505 3.198 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.556 -4.126 0.622 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.206 -3.757 2.237 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.698 -5.248 1.399 1.00 9.13 H new ATOM 92 N LYS A 6 -1.300 -5.935 5.437 1.00 6.04 N ATOM 93 CA LYS A 6 -2.301 -6.406 6.424 1.00 6.12 C ATOM 94 C LYS A 6 -3.389 -5.421 6.566 1.00 6.57 C ATOM 95 O LYS A 6 -3.263 -4.251 6.308 1.00 5.76 O ATOM 96 CB LYS A 6 -1.696 -6.611 7.811 1.00 7.45 C ATOM 97 CG LYS A 6 -0.611 -7.660 7.870 1.00 11.12 C ATOM 98 CD LYS A 6 -0.036 -7.966 9.233 1.00 14.54 C ATOM 99 CE LYS A 6 0.959 -9.164 9.209 1.00 18.84 C ATOM 100 NZ LYS A 6 0.138 -10.403 9.191 1.00 20.55 N ATOM 0 H LYS A 6 -0.951 -5.010 5.688 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.674 -7.358 6.045 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.287 -5.663 8.159 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.491 -6.889 8.503 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.009 -8.585 7.453 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.205 -7.343 7.220 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.475 -7.082 9.614 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.849 -8.188 9.925 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.603 -9.114 8.331 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.610 -9.144 10.083 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.763 -11.233 9.140 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.434 -10.453 10.058 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.490 -10.391 8.362 1.00 20.55 H new ATOM 114 N THR A 7 -4.605 -5.843 6.881 1.00 7.41 N ATOM 115 CA THR A 7 -5.747 -5.063 7.253 1.00 7.48 C ATOM 116 C THR A 7 -6.163 -5.326 8.687 1.00 8.75 C ATOM 117 O THR A 7 -5.772 -6.316 9.212 1.00 8.58 O ATOM 118 CB THR A 7 -6.955 -5.135 6.248 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.885 -6.129 6.624 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.605 -5.357 4.796 1.00 9.17 C ATOM 0 H THR A 7 -4.824 -6.839 6.878 1.00 7.41 H new ATOM 0 HA THR A 7 -5.415 -4.027 7.189 1.00 7.48 H new ATOM 0 HB THR A 7 -7.379 -4.133 6.318 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.623 -6.146 5.980 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.519 -5.388 4.202 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.972 -4.542 4.446 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.071 -6.302 4.691 1.00 9.17 H new ATOM 128 N LEU A 8 -6.890 -4.438 9.432 1.00 9.84 N ATOM 129 CA LEU A 8 -7.263 -4.523 10.822 1.00 14.15 C ATOM 130 C LEU A 8 -8.030 -5.838 11.224 1.00 17.37 C ATOM 131 O LEU A 8 -7.843 -6.376 12.285 1.00 17.01 O ATOM 132 CB LEU A 8 -8.153 -3.286 11.270 1.00 16.63 C ATOM 133 CG LEU A 8 -7.452 -1.997 11.450 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.466 -0.872 11.207 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.709 -1.875 12.790 1.00 18.59 C ATOM 0 H LEU A 8 -7.246 -3.581 9.009 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.304 -4.526 11.341 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.939 -3.146 10.528 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.643 -3.541 12.210 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.647 -1.924 10.719 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.976 0.093 11.333 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.859 -0.949 10.193 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.285 -0.959 11.921 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.220 -0.903 12.848 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.420 -1.973 13.610 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.959 -2.663 12.863 1.00 18.59 H new ATOM 147 N THR A 9 -8.921 -6.281 10.347 1.00 18.33 N ATOM 148 CA THR A 9 -9.926 -7.298 10.474 1.00 19.24 C ATOM 149 C THR A 9 -9.436 -8.695 10.046 1.00 19.48 C ATOM 150 O THR A 9 -10.211 -9.521 9.628 1.00 23.14 O ATOM 151 CB THR A 9 -11.169 -6.842 9.706 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.760 -6.442 8.385 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.786 -5.630 10.427 1.00 19.70 C ATOM 0 H THR A 9 -8.948 -5.874 9.412 1.00 18.33 H new ATOM 0 HA THR A 9 -10.176 -7.419 11.528 1.00 19.24 H new ATOM 0 HB THR A 9 -11.900 -7.649 9.651 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.543 -6.147 7.875 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.673 -5.298 9.887 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.064 -5.913 11.442 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.058 -4.819 10.463 1.00 19.70 H new ATOM 161 N GLY A 10 -8.088 -8.967 10.066 1.00 19.43 N ATOM 162 CA GLY A 10 -7.596 -10.313 9.899 1.00 18.74 C ATOM 163 C GLY A 10 -7.254 -10.722 8.540 1.00 17.62 C ATOM 164 O GLY A 10 -7.398 -11.907 8.215 1.00 19.74 O ATOM 0 H GLY A 10 -7.363 -8.262 10.196 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.710 -10.431 10.523 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.350 -11.001 10.282 1.00 18.74 H new ATOM 168 N LYS A 11 -6.752 -9.780 7.672 1.00 13.56 N ATOM 169 CA LYS A 11 -6.433 -10.152 6.289 1.00 11.91 C ATOM 170 C LYS A 11 -4.934 -9.812 6.036 1.00 10.18 C ATOM 171 O LYS A 11 -4.502 -8.721 6.323 1.00 9.10 O ATOM 172 CB LYS A 11 -7.290 -9.326 5.326 1.00 13.43 C ATOM 173 CG LYS A 11 -7.346 -9.941 3.959 1.00 16.69 C ATOM 174 CD LYS A 11 -8.150 -9.165 2.865 1.00 17.92 C ATOM 175 CE LYS A 11 -8.045 -9.809 1.494 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.697 -11.153 1.442 1.00 21.93 N ATOM 0 H LYS A 11 -6.573 -8.805 7.911 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.627 -11.213 6.130 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.300 -9.236 5.725 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.885 -8.317 5.254 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.324 -10.068 3.602 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.777 -10.938 4.053 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.198 -9.114 3.158 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.784 -8.140 2.809 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.506 -9.156 0.753 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.994 -9.908 1.222 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.628 -11.535 0.477 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.219 -11.797 2.105 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.698 -11.064 1.708 1.00 21.93 H new ATOM 190 N THR A 12 -4.183 -10.798 5.613 1.00 9.63 N ATOM 191 CA THR A 12 -2.768 -10.697 5.166 1.00 9.85 C ATOM 192 C THR A 12 -2.606 -11.099 3.751 1.00 11.66 C ATOM 193 O THR A 12 -3.137 -12.125 3.339 1.00 12.33 O ATOM 194 CB THR A 12 -1.833 -11.547 6.025 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.048 -11.272 7.386 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.357 -11.261 5.800 1.00 9.63 C ATOM 0 H THR A 12 -4.537 -11.753 5.559 1.00 9.63 H new ATOM 0 HA THR A 12 -2.498 -9.647 5.276 1.00 9.85 H new ATOM 0 HB THR A 12 -2.058 -12.575 5.742 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.704 -12.013 7.928 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.241 -11.904 6.446 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.103 -11.457 4.758 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.149 -10.217 6.034 1.00 9.63 H new ATOM 204 N ILE A 13 -1.823 -10.314 2.963 1.00 10.42 N ATOM 205 CA ILE A 13 -1.408 -10.664 1.641 1.00 11.84 C ATOM 206 C ILE A 13 0.062 -10.436 1.439 1.00 10.55 C ATOM 207 O ILE A 13 0.692 -9.713 2.251 1.00 11.92 O ATOM 208 CB ILE A 13 -2.223 -9.952 0.511 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.946 -8.419 0.418 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.722 -10.328 0.521 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.703 -7.722 -0.756 1.00 16.46 C ATOM 0 H ILE A 13 -1.472 -9.406 3.267 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.618 -11.730 1.556 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.842 -10.351 -0.429 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.235 -7.948 1.357 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.875 -8.258 0.296 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.234 -9.803 -0.285 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.828 -11.403 0.379 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.162 -10.043 1.477 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.465 -6.658 -0.762 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.396 -8.168 -1.702 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.777 -7.853 -0.625 1.00 16.46 H new ATOM 223 N THR A 14 0.658 -10.942 0.325 1.00 9.39 N ATOM 224 CA THR A 14 2.020 -10.673 0.006 1.00 9.63 C ATOM 225 C THR A 14 2.007 -9.995 -1.321 1.00 11.20 C ATOM 226 O THR A 14 1.198 -10.379 -2.239 1.00 11.63 O ATOM 227 CB THR A 14 2.965 -11.934 -0.130 1.00 10.38 C ATOM 228 OG1 THR A 14 3.106 -12.656 1.112 1.00 16.30 O ATOM 229 CG2 THR A 14 4.377 -11.406 -0.359 1.00 11.66 C ATOM 0 H THR A 14 0.181 -11.540 -0.350 1.00 9.39 H new ATOM 0 HA THR A 14 2.424 -10.089 0.833 1.00 9.63 H new ATOM 0 HB THR A 14 2.546 -12.566 -0.913 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.686 -12.151 1.720 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.067 -12.244 -0.459 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.398 -10.807 -1.270 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.676 -10.789 0.488 1.00 11.66 H new ATOM 237 N LEU A 15 2.921 -9.024 -1.676 1.00 8.29 N ATOM 238 CA LEU A 15 2.962 -8.396 -3.014 1.00 9.03 C ATOM 239 C LEU A 15 4.343 -8.329 -3.439 1.00 8.59 C ATOM 240 O LEU A 15 5.200 -8.135 -2.585 1.00 7.79 O ATOM 241 CB LEU A 15 2.508 -6.954 -2.866 1.00 11.08 C ATOM 242 CG LEU A 15 1.101 -6.687 -2.312 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.936 -5.160 -2.174 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.035 -7.267 -3.236 1.00 15.27 C ATOM 0 H LEU A 15 3.634 -8.671 -1.038 1.00 8.29 H new ATOM 0 HA LEU A 15 2.343 -8.959 -3.712 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.222 -6.445 -2.219 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.574 -6.482 -3.846 1.00 11.08 H new ATOM 0 HG LEU A 15 0.979 -7.169 -1.342 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.056 -4.935 -1.782 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.693 -4.772 -1.492 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.054 -4.691 -3.151 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.953 -7.066 -2.823 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.117 -6.807 -4.221 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.178 -8.344 -3.326 1.00 15.27 H new ATOM 256 N GLU A 16 4.684 -8.417 -4.761 1.00 11.04 N ATOM 257 CA GLU A 16 6.062 -8.345 -5.217 1.00 11.50 C ATOM 258 C GLU A 16 6.322 -7.009 -6.043 1.00 10.13 C ATOM 259 O GLU A 16 5.613 -6.725 -7.047 1.00 9.83 O ATOM 260 CB GLU A 16 6.281 -9.641 -6.097 1.00 17.22 C ATOM 261 CG GLU A 16 7.547 -9.595 -7.053 1.00 23.33 C ATOM 262 CD GLU A 16 8.776 -9.706 -6.240 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.745 -10.175 -5.094 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.867 -9.328 -6.795 1.00 28.90 O ATOM 0 H GLU A 16 4.004 -8.538 -5.512 1.00 11.04 H new ATOM 0 HA GLU A 16 6.767 -8.313 -4.386 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.376 -10.501 -5.434 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.391 -9.804 -6.705 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.501 -10.409 -7.776 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.555 -8.664 -7.620 1.00 23.33 H new ATOM 271 N VAL A 17 7.148 -6.147 -5.494 1.00 8.99 N ATOM 272 CA VAL A 17 7.252 -4.788 -5.988 1.00 8.85 C ATOM 273 C VAL A 17 8.748 -4.531 -6.207 1.00 8.04 C ATOM 274 O VAL A 17 9.561 -5.403 -5.927 1.00 8.99 O ATOM 275 CB VAL A 17 6.683 -3.825 -4.991 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.171 -4.158 -4.846 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.376 -3.858 -3.651 1.00 10.54 C ATOM 0 H VAL A 17 7.758 -6.361 -4.705 1.00 8.99 H new ATOM 0 HA VAL A 17 6.691 -4.652 -6.913 1.00 8.85 H new ATOM 0 HB VAL A 17 6.837 -2.810 -5.356 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.716 -3.478 -4.126 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.679 -4.046 -5.812 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.056 -5.184 -4.498 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.909 -3.135 -2.982 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.291 -4.856 -3.222 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.429 -3.607 -3.780 1.00 10.54 H new ATOM 287 N GLU A 18 9.042 -3.390 -6.727 1.00 7.29 N ATOM 288 CA GLU A 18 10.369 -2.917 -6.910 1.00 7.08 C ATOM 289 C GLU A 18 10.528 -1.494 -6.271 1.00 6.45 C ATOM 290 O GLU A 18 9.517 -0.846 -5.982 1.00 5.28 O ATOM 291 CB GLU A 18 10.761 -2.801 -8.365 1.00 10.28 C ATOM 292 CG GLU A 18 10.979 -4.157 -8.971 1.00 12.65 C ATOM 293 CD GLU A 18 11.182 -4.201 -10.504 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.262 -3.894 -11.056 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.146 -4.554 -11.165 1.00 14.33 O ATOM 0 H GLU A 18 8.332 -2.733 -7.050 1.00 7.29 H new ATOM 0 HA GLU A 18 11.015 -3.651 -6.429 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.981 -2.274 -8.915 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.671 -2.208 -8.454 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.852 -4.606 -8.498 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.123 -4.784 -8.722 1.00 12.65 H new ATOM 302 N PRO A 19 11.665 -0.968 -5.925 1.00 7.24 N ATOM 303 CA PRO A 19 11.796 0.326 -5.213 1.00 7.07 C ATOM 304 C PRO A 19 11.405 1.609 -5.995 1.00 6.65 C ATOM 305 O PRO A 19 10.869 2.512 -5.384 1.00 6.37 O ATOM 306 CB PRO A 19 13.318 0.423 -5.014 1.00 7.61 C ATOM 307 CG PRO A 19 13.870 -0.999 -5.007 1.00 8.16 C ATOM 308 CD PRO A 19 12.897 -1.770 -5.920 1.00 7.49 C ATOM 0 HA PRO A 19 11.137 0.309 -4.345 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.773 1.007 -5.814 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.551 0.929 -4.077 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.891 -1.035 -5.388 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.891 -1.416 -4.000 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.302 -1.878 -6.926 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.712 -2.775 -5.541 1.00 7.49 H new ATOM 316 N SER A 20 11.605 1.683 -7.319 1.00 6.80 N ATOM 317 CA SER A 20 11.265 2.856 -8.113 1.00 6.28 C ATOM 318 C SER A 20 9.751 2.798 -8.518 1.00 8.45 C ATOM 319 O SER A 20 9.246 3.720 -9.139 1.00 7.26 O ATOM 320 CB SER A 20 12.228 3.188 -9.297 1.00 8.57 C ATOM 321 OG SER A 20 12.332 4.524 -9.747 1.00 11.13 O ATOM 0 H SER A 20 12.010 0.922 -7.865 1.00 6.80 H new ATOM 0 HA SER A 20 11.423 3.719 -7.467 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.227 2.860 -9.009 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.925 2.578 -10.148 1.00 8.57 H new ATOM 0 HG SER A 20 12.972 4.571 -10.488 1.00 11.13 H new ATOM 327 N ASP A 21 9.043 1.770 -8.162 1.00 7.50 N ATOM 328 CA ASP A 21 7.567 1.581 -8.186 1.00 7.70 C ATOM 329 C ASP A 21 6.869 2.550 -7.242 1.00 7.08 C ATOM 330 O ASP A 21 7.288 2.704 -6.048 1.00 8.11 O ATOM 331 CB ASP A 21 7.138 0.122 -7.769 1.00 11.00 C ATOM 332 CG ASP A 21 7.535 -1.026 -8.669 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.207 -0.873 -9.759 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.194 -2.181 -8.293 1.00 14.36 O ATOM 0 H ASP A 21 9.506 0.935 -7.804 1.00 7.50 H new ATOM 0 HA ASP A 21 7.268 1.766 -9.218 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.548 -0.075 -6.778 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.052 0.109 -7.673 1.00 11.00 H new ATOM 339 N THR A 22 5.800 3.216 -7.738 1.00 5.37 N ATOM 340 CA THR A 22 5.002 4.152 -6.927 1.00 6.01 C ATOM 341 C THR A 22 4.016 3.481 -5.952 1.00 8.01 C ATOM 342 O THR A 22 3.719 2.258 -6.027 1.00 8.11 O ATOM 343 CB THR A 22 4.284 5.191 -7.794 1.00 8.92 C ATOM 344 OG1 THR A 22 3.192 4.703 -8.557 1.00 10.22 O ATOM 345 CG2 THR A 22 5.240 5.897 -8.813 1.00 9.65 C ATOM 0 H THR A 22 5.473 3.119 -8.699 1.00 5.37 H new ATOM 0 HA THR A 22 5.736 4.660 -6.301 1.00 6.01 H new ATOM 0 HB THR A 22 3.909 5.883 -7.040 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.800 5.438 -9.073 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.675 6.622 -9.399 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.035 6.409 -8.271 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.676 5.152 -9.479 1.00 9.65 H new ATOM 353 N ILE A 23 3.529 4.311 -5.030 1.00 8.32 N ATOM 354 CA ILE A 23 2.552 3.877 -4.049 1.00 9.92 C ATOM 355 C ILE A 23 1.216 3.575 -4.741 1.00 10.01 C ATOM 356 O ILE A 23 0.600 2.542 -4.562 1.00 8.71 O ATOM 357 CB ILE A 23 2.365 4.893 -2.973 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.645 5.218 -2.272 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.349 4.393 -1.977 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.476 4.029 -1.673 1.00 12.30 C ATOM 0 H ILE A 23 3.801 5.291 -4.947 1.00 8.32 H new ATOM 0 HA ILE A 23 2.926 2.968 -3.578 1.00 9.92 H new ATOM 0 HB ILE A 23 2.010 5.810 -3.443 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.285 5.753 -2.974 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.416 5.908 -1.460 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.213 5.136 -1.191 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.398 4.221 -2.482 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.700 3.460 -1.537 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.376 4.418 -1.197 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.874 3.500 -0.934 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.756 3.342 -2.472 1.00 12.30 H new ATOM 372 N GLU A 24 0.830 4.425 -5.671 1.00 9.54 N ATOM 373 CA GLU A 24 -0.257 4.160 -6.650 1.00 11.81 C ATOM 374 C GLU A 24 -0.113 2.965 -7.598 1.00 11.14 C ATOM 375 O GLU A 24 -1.087 2.257 -7.820 1.00 10.62 O ATOM 376 CB GLU A 24 -0.351 5.436 -7.424 1.00 19.24 C ATOM 377 CG GLU A 24 -1.537 5.515 -8.362 1.00 27.76 C ATOM 378 CD GLU A 24 -1.516 6.653 -9.330 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.425 6.847 -9.897 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.590 7.272 -9.596 1.00 36.51 O ATOM 0 H GLU A 24 1.258 5.343 -5.787 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.146 3.866 -6.092 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.402 6.269 -6.723 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.564 5.563 -8.003 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.596 4.583 -8.925 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.446 5.585 -7.765 1.00 27.76 H new ATOM 387 N ASN A 25 1.098 2.648 -8.077 1.00 9.43 N ATOM 388 CA ASN A 25 1.417 1.400 -8.663 1.00 10.96 C ATOM 389 C ASN A 25 1.088 0.163 -7.770 1.00 9.68 C ATOM 390 O ASN A 25 0.389 -0.762 -8.159 1.00 9.33 O ATOM 391 CB ASN A 25 2.856 1.326 -9.228 1.00 16.78 C ATOM 392 CG ASN A 25 3.083 0.075 -10.103 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.589 -0.916 -9.610 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.608 0.026 -11.369 1.00 24.70 N ATOM 0 H ASN A 25 1.887 3.294 -8.052 1.00 9.43 H new ATOM 0 HA ASN A 25 0.740 1.343 -9.515 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.058 2.220 -9.818 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.567 1.322 -8.402 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.675 -0.839 -11.906 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.183 0.854 -11.787 1.00 24.70 H new ATOM 401 N VAL A 26 1.592 0.153 -6.491 1.00 6.52 N ATOM 402 CA VAL A 26 1.297 -0.787 -5.428 1.00 5.53 C ATOM 403 C VAL A 26 -0.227 -0.902 -5.116 1.00 4.42 C ATOM 404 O VAL A 26 -0.797 -2.000 -5.058 1.00 3.40 O ATOM 405 CB VAL A 26 2.116 -0.613 -4.155 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.690 -1.694 -3.150 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.539 -0.787 -4.657 1.00 8.12 C ATOM 0 H VAL A 26 2.258 0.863 -6.187 1.00 6.52 H new ATOM 0 HA VAL A 26 1.623 -1.740 -5.846 1.00 5.53 H new ATOM 0 HB VAL A 26 1.992 0.336 -3.634 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.267 -1.585 -2.232 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.629 -1.585 -2.927 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.872 -2.680 -3.577 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.234 -0.683 -3.824 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.650 -1.777 -5.100 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.756 -0.027 -5.407 1.00 8.12 H new ATOM 417 N LYS A 27 -1.002 0.202 -5.058 1.00 2.64 N ATOM 418 CA LYS A 27 -2.461 0.142 -5.022 1.00 4.14 C ATOM 419 C LYS A 27 -3.172 -0.440 -6.223 1.00 5.58 C ATOM 420 O LYS A 27 -4.130 -1.232 -6.097 1.00 4.11 O ATOM 421 CB LYS A 27 -3.045 1.573 -4.813 1.00 3.97 C ATOM 422 CG LYS A 27 -2.551 2.290 -3.546 1.00 7.45 C ATOM 423 CD LYS A 27 -3.450 3.520 -3.111 1.00 9.02 C ATOM 424 CE LYS A 27 -2.765 4.432 -2.104 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.602 5.606 -1.748 1.00 15.47 N ATOM 0 H LYS A 27 -0.627 1.150 -5.035 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.646 -0.548 -4.199 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.794 2.183 -5.681 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.132 1.505 -4.775 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.513 1.573 -2.726 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.532 2.639 -3.712 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.715 4.099 -3.995 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.381 3.149 -2.682 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.535 3.866 -1.202 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.816 4.776 -2.515 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.109 6.180 -1.035 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.773 6.181 -2.598 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.511 5.280 -1.362 1.00 15.47 H new ATOM 439 N ALA A 28 -2.699 -0.051 -7.434 1.00 6.61 N ATOM 440 CA ALA A 28 -3.132 -0.621 -8.683 1.00 7.74 C ATOM 441 C ALA A 28 -2.878 -2.134 -8.789 1.00 9.17 C ATOM 442 O ALA A 28 -3.722 -2.877 -9.342 1.00 11.45 O ATOM 443 CB ALA A 28 -2.440 0.192 -9.802 1.00 7.68 C ATOM 0 H ALA A 28 -1.996 0.680 -7.545 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.216 -0.547 -8.772 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.736 -0.202 -10.774 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.737 1.238 -9.728 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.358 0.113 -9.693 1.00 7.68 H new ATOM 449 N LYS A 29 -1.686 -2.608 -8.285 1.00 8.96 N ATOM 450 CA LYS A 29 -1.369 -4.000 -8.123 1.00 7.90 C ATOM 451 C LYS A 29 -2.283 -4.792 -7.218 1.00 6.92 C ATOM 452 O LYS A 29 -2.682 -5.884 -7.681 1.00 6.87 O ATOM 453 CB LYS A 29 0.071 -4.058 -7.625 1.00 10.28 C ATOM 454 CG LYS A 29 0.740 -5.366 -7.111 1.00 14.94 C ATOM 455 CD LYS A 29 2.227 -5.310 -7.260 1.00 19.69 C ATOM 456 CE LYS A 29 2.660 -5.510 -8.709 1.00 22.63 C ATOM 457 NZ LYS A 29 4.041 -5.361 -8.832 1.00 24.98 N ATOM 0 H LYS A 29 -0.932 -1.989 -7.987 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.510 -4.483 -9.090 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.695 -3.692 -8.440 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.147 -3.333 -6.815 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.483 -5.521 -6.063 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.349 -6.219 -7.665 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.592 -4.348 -6.901 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.684 -6.077 -6.635 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.364 -6.502 -9.049 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.152 -4.789 -9.349 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.384 -5.943 -9.623 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.268 -4.362 -9.013 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.503 -5.666 -7.952 1.00 24.98 H new ATOM 471 N ILE A 30 -2.646 -4.226 -6.047 1.00 4.57 N ATOM 472 CA ILE A 30 -3.656 -4.747 -5.146 1.00 5.58 C ATOM 473 C ILE A 30 -4.997 -4.955 -5.823 1.00 7.26 C ATOM 474 O ILE A 30 -5.689 -5.922 -5.593 1.00 9.46 O ATOM 475 CB ILE A 30 -3.743 -3.976 -3.862 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.512 -4.287 -2.984 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.067 -4.342 -3.076 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.268 -3.285 -1.807 1.00 2.00 C ATOM 0 H ILE A 30 -2.220 -3.365 -5.706 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.323 -5.744 -4.859 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.764 -2.912 -4.098 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.624 -5.289 -2.570 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.626 -4.301 -3.619 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.109 -3.771 -2.148 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.934 -4.100 -3.691 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.071 -5.408 -2.847 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.382 -3.588 -1.249 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.120 -2.282 -2.208 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.132 -3.286 -1.143 1.00 2.00 H new ATOM 490 N GLN A 31 -5.430 -3.966 -6.689 1.00 7.06 N ATOM 491 CA GLN A 31 -6.656 -3.958 -7.394 1.00 8.67 C ATOM 492 C GLN A 31 -6.666 -5.087 -8.369 1.00 10.90 C ATOM 493 O GLN A 31 -7.615 -5.872 -8.318 1.00 9.63 O ATOM 494 CB GLN A 31 -6.939 -2.677 -8.222 1.00 9.12 C ATOM 495 CG GLN A 31 -8.402 -2.787 -8.713 1.00 10.76 C ATOM 496 CD GLN A 31 -8.945 -1.540 -9.480 1.00 13.78 C ATOM 497 OE1 GLN A 31 -10.060 -1.092 -9.270 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.134 -1.079 -10.467 1.00 14.76 N ATOM 0 H GLN A 31 -4.865 -3.139 -6.884 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.419 -4.029 -6.619 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.800 -1.783 -7.614 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.252 -2.600 -9.064 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.485 -3.657 -9.364 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.044 -2.971 -7.852 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.210 -1.489 -10.600 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.449 -0.323 -11.075 1.00 14.76 H new ATOM 507 N ASP A 32 -5.598 -5.292 -9.184 1.00 10.93 N ATOM 508 CA ASP A 32 -5.417 -6.455 -10.006 1.00 14.01 C ATOM 509 C ASP A 32 -5.528 -7.820 -9.258 1.00 14.04 C ATOM 510 O ASP A 32 -6.289 -8.687 -9.741 1.00 13.39 O ATOM 511 CB ASP A 32 -4.164 -6.452 -10.881 1.00 18.01 C ATOM 512 CG ASP A 32 -4.161 -5.318 -11.853 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.129 -4.617 -12.125 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.036 -5.170 -12.455 1.00 26.29 O ATOM 0 H ASP A 32 -4.836 -4.619 -9.269 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.278 -6.368 -10.669 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.280 -6.388 -10.247 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.099 -7.395 -11.424 1.00 18.01 H new ATOM 519 N LYS A 33 -4.806 -7.993 -8.145 1.00 14.22 N ATOM 520 CA LYS A 33 -4.796 -9.255 -7.458 1.00 14.00 C ATOM 521 C LYS A 33 -6.106 -9.658 -6.772 1.00 12.37 C ATOM 522 O LYS A 33 -6.609 -10.778 -6.952 1.00 12.17 O ATOM 523 CB LYS A 33 -3.678 -9.103 -6.343 1.00 18.62 C ATOM 524 CG LYS A 33 -3.138 -10.396 -5.672 1.00 24.00 C ATOM 525 CD LYS A 33 -2.310 -10.095 -4.390 1.00 27.61 C ATOM 526 CE LYS A 33 -1.689 -11.235 -3.553 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.622 -12.322 -3.240 1.00 30.06 N ATOM 0 H LYS A 33 -4.230 -7.269 -7.716 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.623 -10.037 -8.197 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.832 -8.579 -6.787 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.075 -8.460 -5.558 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.974 -11.047 -5.417 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.517 -10.940 -6.384 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.494 -9.436 -4.686 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.954 -9.524 -3.722 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.837 -11.646 -4.094 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.305 -10.820 -2.621 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.360 -12.754 -2.331 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.588 -11.943 -3.177 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.581 -13.042 -3.990 1.00 30.06 H new ATOM 541 N GLU A 34 -6.646 -8.662 -5.972 1.00 10.11 N ATOM 542 CA GLU A 34 -7.739 -8.918 -5.034 1.00 10.07 C ATOM 543 C GLU A 34 -9.016 -8.072 -5.280 1.00 9.32 C ATOM 544 O GLU A 34 -10.025 -8.273 -4.617 1.00 11.61 O ATOM 545 CB GLU A 34 -7.300 -8.419 -3.638 1.00 14.77 C ATOM 546 CG GLU A 34 -6.034 -9.087 -3.048 1.00 18.75 C ATOM 547 CD GLU A 34 -6.106 -10.569 -2.767 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.261 -11.048 -2.684 1.00 25.19 O ATOM 549 OE2 GLU A 34 -5.031 -11.250 -2.638 1.00 21.95 O ATOM 0 H GLU A 34 -6.324 -7.694 -5.981 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.951 -9.982 -5.139 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.127 -7.344 -3.696 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.125 -8.572 -2.943 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.207 -8.913 -3.737 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.785 -8.578 -2.117 1.00 18.75 H new ATOM 556 N GLY A 35 -9.080 -7.220 -6.295 1.00 7.22 N ATOM 557 CA GLY A 35 -10.295 -6.447 -6.615 1.00 6.29 C ATOM 558 C GLY A 35 -10.739 -5.322 -5.650 1.00 6.93 C ATOM 559 O GLY A 35 -11.894 -5.067 -5.419 1.00 7.41 O ATOM 0 H GLY A 35 -8.298 -7.038 -6.924 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.152 -6.000 -7.599 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.121 -7.152 -6.702 1.00 6.29 H new ATOM 563 N ILE A 36 -9.732 -4.683 -5.006 1.00 5.86 N ATOM 564 CA ILE A 36 -9.978 -3.633 -4.042 1.00 6.07 C ATOM 565 C ILE A 36 -9.701 -2.327 -4.762 1.00 6.36 C ATOM 566 O ILE A 36 -8.551 -2.200 -5.198 1.00 6.18 O ATOM 567 CB ILE A 36 -9.049 -3.619 -2.753 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.188 -4.946 -2.103 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.598 -2.515 -1.861 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.511 -5.113 -0.763 1.00 9.49 C ATOM 0 H ILE A 36 -8.744 -4.893 -5.152 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.996 -3.789 -3.684 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.996 -3.439 -2.969 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.250 -5.155 -1.977 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.793 -5.702 -2.782 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.001 -2.451 -0.951 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.554 -1.564 -2.391 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.633 -2.738 -1.601 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.684 -6.123 -0.391 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.440 -4.946 -0.873 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.920 -4.391 -0.056 1.00 9.49 H new ATOM 582 N PRO A 37 -10.520 -1.322 -4.989 1.00 8.65 N ATOM 583 CA PRO A 37 -10.177 -0.101 -5.738 1.00 9.18 C ATOM 584 C PRO A 37 -8.948 0.670 -5.210 1.00 9.85 C ATOM 585 O PRO A 37 -8.804 0.739 -3.997 1.00 8.51 O ATOM 586 CB PRO A 37 -11.431 0.804 -5.647 1.00 11.42 C ATOM 587 CG PRO A 37 -12.510 -0.231 -5.484 1.00 9.27 C ATOM 588 CD PRO A 37 -11.953 -1.458 -4.744 1.00 8.33 C ATOM 0 HA PRO A 37 -9.902 -0.385 -6.754 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.385 1.491 -4.802 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.570 1.410 -6.543 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.348 0.190 -4.928 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.892 -0.527 -6.461 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.191 -1.438 -3.680 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.350 -2.392 -5.142 1.00 8.33 H new ATOM 596 N PRO A 38 -8.012 1.282 -5.974 1.00 8.71 N ATOM 597 CA PRO A 38 -7.032 2.176 -5.376 1.00 9.08 C ATOM 598 C PRO A 38 -7.649 3.390 -4.717 1.00 9.28 C ATOM 599 O PRO A 38 -6.975 4.098 -3.962 1.00 6.50 O ATOM 600 CB PRO A 38 -6.172 2.577 -6.592 1.00 10.31 C ATOM 601 CG PRO A 38 -7.090 2.365 -7.831 1.00 10.81 C ATOM 602 CD PRO A 38 -7.873 1.108 -7.446 1.00 12.00 C ATOM 0 HA PRO A 38 -6.477 1.701 -4.567 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.845 3.614 -6.518 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.274 1.963 -6.658 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.748 3.218 -8.000 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.513 2.221 -8.745 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.840 1.058 -7.946 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.335 0.195 -7.702 1.00 12.00 H new ATOM 610 N ASP A 39 -8.927 3.674 -4.942 1.00 11.20 N ATOM 611 CA ASP A 39 -9.694 4.651 -4.250 1.00 14.96 C ATOM 612 C ASP A 39 -10.114 4.223 -2.823 1.00 13.99 C ATOM 613 O ASP A 39 -10.732 4.980 -2.069 1.00 13.75 O ATOM 614 CB ASP A 39 -11.063 5.058 -4.996 1.00 24.16 C ATOM 615 CG ASP A 39 -10.649 5.868 -6.159 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.304 7.065 -6.049 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.889 5.320 -7.268 1.00 35.55 O ATOM 0 H ASP A 39 -9.468 3.189 -5.658 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.004 5.494 -4.217 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.617 4.174 -5.310 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.717 5.626 -4.334 1.00 24.16 H new ATOM 622 N GLN A 40 -9.968 2.889 -2.487 1.00 11.60 N ATOM 623 CA GLN A 40 -10.545 2.360 -1.228 1.00 10.76 C ATOM 624 C GLN A 40 -9.260 1.974 -0.441 1.00 8.01 C ATOM 625 O GLN A 40 -9.417 1.319 0.599 1.00 8.96 O ATOM 626 CB GLN A 40 -11.390 1.094 -1.510 1.00 11.14 C ATOM 627 CG GLN A 40 -12.570 0.819 -0.594 1.00 14.85 C ATOM 628 CD GLN A 40 -13.359 -0.405 -1.044 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.222 -1.456 -0.463 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.319 -0.131 -2.011 1.00 18.16 N ATOM 0 H GLN A 40 -9.474 2.201 -3.056 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.204 3.058 -0.711 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.766 1.161 -2.531 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.726 0.231 -1.471 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.213 0.667 0.425 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.227 1.689 -0.575 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.356 0.791 -2.447 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.987 -0.851 -2.285 1.00 18.16 H new ATOM 639 N GLN A 41 -8.053 2.381 -0.746 1.00 6.52 N ATOM 640 CA GLN A 41 -6.821 1.955 -0.059 1.00 3.87 C ATOM 641 C GLN A 41 -6.036 3.057 0.562 1.00 4.79 C ATOM 642 O GLN A 41 -5.151 3.678 -0.081 1.00 6.34 O ATOM 643 CB GLN A 41 -5.922 1.209 -1.005 1.00 4.20 C ATOM 644 CG GLN A 41 -6.526 -0.101 -1.602 1.00 3.20 C ATOM 645 CD GLN A 41 -5.590 -0.669 -2.674 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.490 -1.152 -2.341 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.036 -0.903 -3.919 1.00 7.13 N ATOM 0 H GLN A 41 -7.876 3.041 -1.503 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.167 1.316 0.754 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.654 1.874 -1.826 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -4.999 0.959 -0.483 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.675 -0.836 -0.811 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.505 0.104 -2.034 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.933 -0.521 -4.220 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.478 -1.463 -4.564 1.00 7.13 H new ATOM 656 N ARG A 42 -6.374 3.361 1.821 1.00 5.73 N ATOM 657 CA ARG A 42 -5.715 4.412 2.582 1.00 6.97 C ATOM 658 C ARG A 42 -4.543 3.751 3.308 1.00 7.15 C ATOM 659 O ARG A 42 -4.675 2.975 4.257 1.00 7.33 O ATOM 660 CB ARG A 42 -6.776 5.034 3.517 1.00 13.23 C ATOM 661 CG ARG A 42 -6.427 6.146 4.539 1.00 21.27 C ATOM 662 CD ARG A 42 -5.593 5.677 5.757 1.00 26.14 C ATOM 663 NE ARG A 42 -5.253 6.937 6.570 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.220 7.582 7.159 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.327 7.001 7.654 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.165 8.923 7.352 1.00 36.39 N ATOM 0 H ARG A 42 -7.113 2.881 2.335 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.311 5.226 1.979 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.563 5.433 2.877 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.213 4.213 4.085 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.878 6.933 4.023 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.354 6.589 4.902 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.157 4.966 6.362 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.685 5.169 5.432 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.289 7.262 6.647 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.449 5.991 7.580 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.044 7.570 8.103 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.353 9.451 7.033 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.936 9.404 7.816 1.00 36.39 H new ATOM 680 N LEU A 43 -3.269 3.927 2.846 1.00 4.65 N ATOM 681 CA LEU A 43 -2.125 3.081 3.301 1.00 3.51 C ATOM 682 C LEU A 43 -1.424 3.745 4.471 1.00 5.56 C ATOM 683 O LEU A 43 -1.205 4.962 4.421 1.00 4.19 O ATOM 684 CB LEU A 43 -1.046 2.797 2.199 1.00 3.74 C ATOM 685 CG LEU A 43 -1.524 1.842 1.006 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.382 1.735 -0.020 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.002 0.483 1.538 1.00 6.41 C ATOM 0 H LEU A 43 -3.011 4.641 2.165 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.571 2.125 3.575 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.724 3.748 1.775 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.174 2.349 2.674 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.391 2.268 0.501 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.690 1.087 -0.841 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.147 2.726 -0.408 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.501 1.315 0.461 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.320 -0.143 0.704 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.186 -0.007 2.069 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.840 0.633 2.219 1.00 6.41 H new ATOM 699 N ILE A 44 -1.102 2.917 5.450 1.00 4.58 N ATOM 700 CA ILE A 44 -0.460 3.359 6.643 1.00 5.55 C ATOM 701 C ILE A 44 0.842 2.589 6.886 1.00 5.46 C ATOM 702 O ILE A 44 0.833 1.354 6.896 1.00 6.04 O ATOM 703 CB ILE A 44 -1.371 3.452 7.931 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.664 4.189 7.610 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.574 4.284 9.041 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.630 4.310 8.777 1.00 13.90 C ATOM 0 H ILE A 44 -1.287 1.914 5.424 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.214 4.404 6.454 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.610 2.449 8.283 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.418 5.189 7.254 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.167 3.674 6.791 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.182 4.363 9.942 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.360 3.774 9.277 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.357 5.282 8.661 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.522 4.849 8.457 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.911 3.315 9.121 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.151 4.854 9.591 1.00 13.90 H new ATOM 718 N PHE A 45 2.011 3.230 7.064 1.00 6.75 N ATOM 719 CA PHE A 45 3.242 2.481 7.243 1.00 4.70 C ATOM 720 C PHE A 45 4.042 3.153 8.294 1.00 6.34 C ATOM 721 O PHE A 45 4.585 4.219 8.158 1.00 5.45 O ATOM 722 CB PHE A 45 4.052 2.341 5.884 1.00 5.51 C ATOM 723 CG PHE A 45 5.561 1.987 5.954 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.948 0.666 6.271 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.491 3.015 5.896 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.319 0.324 6.473 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.820 2.744 6.240 1.00 6.64 C ATOM 728 CZ PHE A 45 8.204 1.410 6.448 1.00 6.84 C ATOM 0 H PHE A 45 2.117 4.244 7.086 1.00 6.75 H new ATOM 0 HA PHE A 45 3.009 1.463 7.555 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.560 1.577 5.282 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.957 3.283 5.343 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.192 -0.100 6.362 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.194 4.007 5.591 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.648 -0.692 6.633 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.536 3.546 6.343 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.254 1.207 6.599 1.00 6.84 H new ATOM 738 N ALA A 46 4.176 2.456 9.354 1.00 6.53 N ATOM 739 CA ALA A 46 4.846 2.814 10.625 1.00 7.15 C ATOM 740 C ALA A 46 4.390 4.143 11.161 1.00 9.00 C ATOM 741 O ALA A 46 5.157 5.013 11.613 1.00 11.15 O ATOM 742 CB ALA A 46 6.363 2.735 10.488 1.00 8.99 C ATOM 0 H ALA A 46 3.791 1.512 9.399 1.00 6.53 H new ATOM 0 HA ALA A 46 4.546 2.074 11.367 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.828 3.003 11.436 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.651 1.720 10.216 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.695 3.426 9.713 1.00 8.99 H new ATOM 748 N GLY A 47 3.082 4.337 11.231 1.00 9.35 N ATOM 749 CA GLY A 47 2.355 5.492 11.755 1.00 11.68 C ATOM 750 C GLY A 47 2.155 6.573 10.772 1.00 11.14 C ATOM 751 O GLY A 47 1.690 7.681 11.168 1.00 13.93 O ATOM 0 H GLY A 47 2.438 3.623 10.891 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.382 5.161 12.119 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.897 5.891 12.613 1.00 11.68 H new ATOM 755 N LYS A 48 2.568 6.389 9.560 1.00 10.47 N ATOM 756 CA LYS A 48 2.743 7.428 8.528 1.00 8.82 C ATOM 757 C LYS A 48 1.758 7.169 7.344 1.00 7.68 C ATOM 758 O LYS A 48 1.591 6.046 6.941 1.00 6.47 O ATOM 759 CB LYS A 48 4.138 7.475 7.927 1.00 9.74 C ATOM 760 CG LYS A 48 5.373 7.704 8.887 1.00 14.14 C ATOM 761 CD LYS A 48 6.703 8.179 8.229 1.00 16.32 C ATOM 762 CE LYS A 48 7.539 7.005 7.754 1.00 20.04 C ATOM 763 NZ LYS A 48 8.783 7.429 7.023 1.00 23.92 N ATOM 0 H LYS A 48 2.815 5.461 9.216 1.00 10.47 H new ATOM 0 HA LYS A 48 2.553 8.372 9.039 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.301 6.536 7.397 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.149 8.269 7.180 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.086 8.439 9.639 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.570 6.770 9.413 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.480 8.833 7.386 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.275 8.768 8.946 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.819 6.394 8.612 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.935 6.377 7.099 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.313 6.586 6.723 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.520 7.989 6.187 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.377 8.005 7.653 1.00 23.92 H new ATOM 777 N GLN A 49 1.114 8.204 6.822 1.00 8.89 N ATOM 778 CA GLN A 49 0.437 8.254 5.549 1.00 7.18 C ATOM 779 C GLN A 49 1.374 8.228 4.394 1.00 8.23 C ATOM 780 O GLN A 49 2.575 8.557 4.506 1.00 9.70 O ATOM 781 CB GLN A 49 -0.367 9.615 5.464 1.00 11.67 C ATOM 782 CG GLN A 49 -1.444 9.747 6.573 1.00 15.82 C ATOM 783 CD GLN A 49 -2.401 8.609 6.648 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.964 8.109 5.674 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.753 8.252 7.925 1.00 20.67 N ATOM 0 H GLN A 49 1.051 9.092 7.320 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.206 7.376 5.492 1.00 7.18 H new ATOM 0 HB2 GLN A 49 0.330 10.449 5.540 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.846 9.688 4.488 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.944 9.848 7.536 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.006 10.666 6.408 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.277 8.675 8.722 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.490 7.564 8.077 1.00 20.67 H new ATOM 794 N LEU A 50 0.857 7.812 3.210 1.00 6.51 N ATOM 795 CA LEU A 50 1.659 7.648 2.011 1.00 7.41 C ATOM 796 C LEU A 50 0.919 8.267 0.871 1.00 8.27 C ATOM 797 O LEU A 50 -0.188 7.818 0.490 1.00 8.34 O ATOM 798 CB LEU A 50 2.029 6.187 1.661 1.00 7.13 C ATOM 799 CG LEU A 50 2.661 5.281 2.809 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.724 3.790 2.260 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.069 5.737 3.330 1.00 9.11 C ATOM 0 H LEU A 50 -0.129 7.586 3.079 1.00 6.51 H new ATOM 0 HA LEU A 50 2.613 8.139 2.204 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.127 5.691 1.302 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.732 6.211 0.829 1.00 7.13 H new ATOM 0 HG LEU A 50 2.017 5.374 3.684 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.153 3.139 3.022 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.718 3.449 2.016 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.345 3.758 1.365 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.408 5.053 4.108 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.782 5.730 2.505 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.997 6.745 3.739 1.00 9.11 H new ATOM 813 N GLU A 51 1.435 9.347 0.237 1.00 9.43 N ATOM 814 CA GLU A 51 0.994 9.956 -0.955 1.00 11.90 C ATOM 815 C GLU A 51 1.216 9.049 -2.178 1.00 11.49 C ATOM 816 O GLU A 51 2.242 8.492 -2.472 1.00 9.88 O ATOM 817 CB GLU A 51 1.576 11.402 -1.103 1.00 16.56 C ATOM 818 CG GLU A 51 1.201 12.401 -0.020 1.00 26.06 C ATOM 819 CD GLU A 51 -0.200 12.895 -0.077 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.931 12.752 -1.091 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.707 13.360 0.994 1.00 32.13 O ATOM 0 H GLU A 51 2.249 9.830 0.618 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.087 10.084 -0.898 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.663 11.330 -1.138 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.252 11.803 -2.063 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.368 11.939 0.953 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.874 13.256 -0.086 1.00 26.06 H new ATOM 828 N ASP A 52 0.147 8.837 -2.983 1.00 12.71 N ATOM 829 CA ASP A 52 0.003 8.030 -4.195 1.00 16.56 C ATOM 830 C ASP A 52 1.147 8.086 -5.251 1.00 15.83 C ATOM 831 O ASP A 52 1.792 7.094 -5.605 1.00 17.21 O ATOM 832 CB ASP A 52 -1.355 8.359 -4.825 1.00 21.05 C ATOM 833 CG ASP A 52 -2.533 8.236 -3.889 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.789 9.201 -3.114 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.240 7.201 -3.962 1.00 28.37 O ATOM 0 H ASP A 52 -0.739 9.290 -2.760 1.00 12.71 H new ATOM 0 HA ASP A 52 0.072 6.995 -3.859 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.322 9.377 -5.214 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.515 7.697 -5.676 1.00 21.05 H new ATOM 840 N GLY A 53 1.558 9.247 -5.717 1.00 15.00 N ATOM 841 CA GLY A 53 2.568 9.458 -6.759 1.00 11.77 C ATOM 842 C GLY A 53 3.992 9.364 -6.366 1.00 11.10 C ATOM 843 O GLY A 53 4.957 9.454 -7.127 1.00 11.25 O ATOM 0 H GLY A 53 1.180 10.126 -5.365 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.390 8.730 -7.551 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.404 10.445 -7.190 1.00 11.77 H new ATOM 847 N ARG A 54 4.180 9.130 -5.059 1.00 8.53 N ATOM 848 CA ARG A 54 5.504 8.883 -4.446 1.00 9.05 C ATOM 849 C ARG A 54 6.104 7.489 -4.649 1.00 8.96 C ATOM 850 O ARG A 54 5.337 6.617 -5.104 1.00 11.60 O ATOM 851 CB ARG A 54 5.490 9.050 -2.872 1.00 7.97 C ATOM 852 CG ARG A 54 5.034 10.424 -2.335 1.00 9.62 C ATOM 853 CD ARG A 54 6.039 11.529 -2.737 1.00 12.20 C ATOM 854 NE ARG A 54 5.684 12.649 -1.921 1.00 18.23 N ATOM 855 CZ ARG A 54 4.639 13.511 -2.042 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.902 13.633 -3.176 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.404 14.289 -0.985 1.00 23.38 N ATOM 0 H ARG A 54 3.413 9.106 -4.387 1.00 8.53 H new ATOM 0 HA ARG A 54 6.102 9.629 -4.969 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.837 8.285 -2.452 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.495 8.852 -2.498 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.046 10.664 -2.728 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.945 10.384 -1.249 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.067 11.216 -2.556 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.961 11.770 -3.797 1.00 12.20 H new ATOM 0 HE ARG A 54 6.306 12.827 -1.133 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.122 13.061 -3.991 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.128 14.296 -3.212 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.993 14.214 -0.155 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.636 14.959 -1.006 1.00 23.38 H new ATOM 871 N THR A 55 7.400 7.243 -4.396 1.00 9.05 N ATOM 872 CA THR A 55 7.949 5.880 -4.697 1.00 9.03 C ATOM 873 C THR A 55 8.283 5.242 -3.451 1.00 8.15 C ATOM 874 O THR A 55 8.338 5.922 -2.385 1.00 5.91 O ATOM 875 CB THR A 55 9.181 5.763 -5.649 1.00 11.15 C ATOM 876 OG1 THR A 55 10.248 6.657 -5.227 1.00 11.95 O ATOM 877 CG2 THR A 55 8.720 6.232 -7.024 1.00 11.71 C ATOM 0 H THR A 55 8.064 7.913 -4.008 1.00 9.05 H new ATOM 0 HA THR A 55 7.146 5.401 -5.257 1.00 9.03 H new ATOM 0 HB THR A 55 9.549 4.737 -5.647 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.077 6.147 -5.116 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.550 6.168 -7.727 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.903 5.599 -7.369 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.377 7.265 -6.960 1.00 11.71 H new ATOM 885 N LEU A 56 8.422 3.921 -3.464 1.00 6.91 N ATOM 886 CA LEU A 56 8.838 2.974 -2.460 1.00 8.29 C ATOM 887 C LEU A 56 10.262 3.205 -2.034 1.00 8.05 C ATOM 888 O LEU A 56 10.496 3.096 -0.859 1.00 10.17 O ATOM 889 CB LEU A 56 8.759 1.517 -2.892 1.00 6.60 C ATOM 890 CG LEU A 56 7.389 0.922 -2.845 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.458 -0.501 -3.319 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.825 0.938 -1.447 1.00 8.64 C ATOM 0 H LEU A 56 8.207 3.421 -4.327 1.00 6.91 H new ATOM 0 HA LEU A 56 8.132 3.145 -1.648 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.141 1.433 -3.909 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.418 0.928 -2.254 1.00 6.60 H new ATOM 0 HG LEU A 56 6.739 1.517 -3.486 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.462 -0.943 -3.288 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.835 -0.526 -4.342 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.127 -1.068 -2.672 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.828 0.498 -1.452 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.473 0.362 -0.787 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.766 1.966 -1.090 1.00 8.64 H new ATOM 904 N SER A 57 11.166 3.657 -2.895 1.00 8.92 N ATOM 905 CA SER A 57 12.499 4.238 -2.650 1.00 9.00 C ATOM 906 C SER A 57 12.526 5.581 -1.866 1.00 9.44 C ATOM 907 O SER A 57 13.239 5.724 -0.896 1.00 10.91 O ATOM 908 CB SER A 57 13.350 4.366 -3.972 1.00 10.32 C ATOM 909 OG SER A 57 12.778 5.338 -4.851 1.00 13.59 O ATOM 0 H SER A 57 10.970 3.626 -3.895 1.00 8.92 H new ATOM 0 HA SER A 57 12.960 3.507 -1.986 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.373 4.649 -3.725 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.399 3.399 -4.474 1.00 10.32 H new ATOM 0 HG SER A 57 13.321 5.404 -5.664 1.00 13.59 H new ATOM 915 N ASP A 58 11.610 6.548 -2.272 1.00 9.11 N ATOM 916 CA ASP A 58 11.512 7.901 -1.728 1.00 7.91 C ATOM 917 C ASP A 58 11.002 7.911 -0.282 1.00 9.12 C ATOM 918 O ASP A 58 11.552 8.629 0.554 1.00 8.61 O ATOM 919 CB ASP A 58 10.690 8.772 -2.698 1.00 8.41 C ATOM 920 CG ASP A 58 10.609 10.249 -2.303 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.662 10.899 -2.529 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.491 10.854 -2.070 1.00 11.70 O ATOM 0 H ASP A 58 10.922 6.368 -3.003 1.00 9.11 H new ATOM 0 HA ASP A 58 12.506 8.342 -1.655 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.127 8.698 -3.694 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.679 8.369 -2.762 1.00 8.41 H new ATOM 927 N TYR A 59 9.953 7.097 0.039 1.00 7.97 N ATOM 928 CA TYR A 59 9.534 6.776 1.453 1.00 8.45 C ATOM 929 C TYR A 59 10.544 5.821 2.152 1.00 10.98 C ATOM 930 O TYR A 59 10.532 5.777 3.366 1.00 12.95 O ATOM 931 CB TYR A 59 8.122 6.160 1.583 1.00 7.94 C ATOM 932 CG TYR A 59 7.127 7.224 1.393 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.027 8.235 2.361 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.129 7.255 0.394 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.931 9.224 2.387 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.129 8.204 0.396 1.00 6.52 C ATOM 937 CZ TYR A 59 5.005 9.205 1.382 1.00 6.76 C ATOM 938 OH TYR A 59 3.974 10.115 1.349 1.00 7.63 O ATOM 0 H TYR A 59 9.372 6.643 -0.666 1.00 7.97 H new ATOM 0 HA TYR A 59 9.518 7.749 1.944 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.982 5.374 0.840 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.000 5.698 2.563 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.789 8.292 3.124 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.150 6.515 -0.393 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.862 9.949 3.185 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.401 8.180 -0.401 1.00 6.52 H new ATOM 0 HH TYR A 59 4.254 10.909 0.847 1.00 7.63 H new ATOM 948 N ASN A 60 11.391 5.093 1.467 1.00 12.38 N ATOM 949 CA ASN A 60 12.276 4.104 2.043 1.00 13.94 C ATOM 950 C ASN A 60 11.619 2.883 2.604 1.00 14.16 C ATOM 951 O ASN A 60 11.698 2.475 3.763 1.00 14.26 O ATOM 952 CB ASN A 60 13.399 4.595 3.046 1.00 19.23 C ATOM 953 CG ASN A 60 14.373 5.492 2.271 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.498 5.096 1.851 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.968 6.781 2.034 1.00 24.09 N ATOM 0 H ASN A 60 11.489 5.174 0.455 1.00 12.38 H new ATOM 0 HA ASN A 60 12.792 3.836 1.121 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.954 5.144 3.876 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.926 3.742 3.474 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.574 7.420 1.519 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.061 7.101 2.373 1.00 24.09 H new ATOM 962 N ILE A 61 10.867 2.170 1.753 1.00 11.08 N ATOM 963 CA ILE A 61 10.132 0.931 2.108 1.00 11.78 C ATOM 964 C ILE A 61 10.841 -0.201 1.344 1.00 13.74 C ATOM 965 O ILE A 61 10.934 -0.258 0.109 1.00 14.60 O ATOM 966 CB ILE A 61 8.691 1.057 1.734 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.962 2.284 2.436 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.928 -0.208 2.014 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.602 2.666 1.807 1.00 11.42 C ATOM 0 H ILE A 61 10.745 2.438 0.776 1.00 11.08 H new ATOM 0 HA ILE A 61 10.141 0.731 3.180 1.00 11.78 H new ATOM 0 HB ILE A 61 8.693 1.246 0.660 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.807 2.045 3.488 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.621 3.151 2.400 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.885 -0.074 1.728 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.360 -1.028 1.440 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.986 -0.440 3.077 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.176 3.511 2.347 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.748 2.940 0.762 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.922 1.816 1.867 1.00 11.42 H new ATOM 981 N GLN A 62 11.420 -1.129 2.155 1.00 13.97 N ATOM 982 CA GLN A 62 12.485 -2.111 1.664 1.00 15.52 C ATOM 983 C GLN A 62 11.896 -3.481 1.871 1.00 13.94 C ATOM 984 O GLN A 62 10.804 -3.715 2.431 1.00 12.15 O ATOM 985 CB GLN A 62 13.694 -2.005 2.573 1.00 19.53 C ATOM 986 CG GLN A 62 14.303 -0.554 2.877 1.00 26.38 C ATOM 987 CD GLN A 62 14.892 0.041 1.579 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.586 1.164 1.141 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.835 -0.732 0.949 1.00 32.71 N ATOM 0 H GLN A 62 11.186 -1.235 3.142 1.00 13.97 H new ATOM 0 HA GLN A 62 12.769 -1.917 0.630 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.430 -2.460 3.528 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.488 -2.613 2.139 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.527 0.102 3.271 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.077 -0.626 3.641 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.074 -1.651 1.322 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.297 -0.388 0.107 1.00 32.71 H new ATOM 998 N LYS A 63 12.608 -4.493 1.319 1.00 11.73 N ATOM 999 CA LYS A 63 12.270 -5.897 1.355 1.00 11.97 C ATOM 1000 C LYS A 63 11.611 -6.378 2.663 1.00 10.41 C ATOM 1001 O LYS A 63 12.212 -6.439 3.757 1.00 9.59 O ATOM 1002 CB LYS A 63 13.558 -6.696 1.085 1.00 13.73 C ATOM 1003 CG LYS A 63 13.397 -8.211 1.172 1.00 16.98 C ATOM 1004 CD LYS A 63 14.631 -9.029 0.666 1.00 20.19 C ATOM 1005 CE LYS A 63 14.689 -10.486 1.141 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.530 -11.207 0.710 1.00 25.97 N ATOM 0 H LYS A 63 13.477 -4.320 0.814 1.00 11.73 H new ATOM 0 HA LYS A 63 11.511 -6.063 0.590 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.927 -6.440 0.092 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.320 -6.383 1.799 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.198 -8.483 2.209 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.522 -8.504 0.592 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.631 -9.019 -0.424 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.540 -8.522 0.989 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.587 -10.965 0.751 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.758 -10.516 2.228 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.738 -12.226 0.701 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 12.742 -11.021 1.363 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.266 -10.899 -0.248 1.00 25.97 H new ATOM 1020 N GLU A 64 10.349 -6.839 2.544 1.00 10.04 N ATOM 1021 CA GLU A 64 9.661 -7.450 3.615 1.00 10.94 C ATOM 1022 C GLU A 64 9.142 -6.602 4.793 1.00 9.74 C ATOM 1023 O GLU A 64 9.079 -6.950 5.967 1.00 9.42 O ATOM 1024 CB GLU A 64 10.264 -8.892 3.962 1.00 18.31 C ATOM 1025 CG GLU A 64 9.906 -9.941 2.982 1.00 24.16 C ATOM 1026 CD GLU A 64 10.766 -11.174 2.945 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.051 -11.729 4.034 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.134 -11.661 1.825 1.00 32.61 O ATOM 0 H GLU A 64 9.807 -6.780 1.682 1.00 10.04 H new ATOM 0 HA GLU A 64 8.667 -7.605 3.196 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.350 -8.817 4.019 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.913 -9.195 4.949 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.880 -10.251 3.180 1.00 24.16 H new ATOM 0 HG3 GLU A 64 9.917 -9.492 1.989 1.00 24.16 H new ATOM 1035 N SER A 65 8.814 -5.309 4.403 1.00 6.85 N ATOM 1036 CA SER A 65 8.132 -4.313 5.220 1.00 6.90 C ATOM 1037 C SER A 65 6.694 -4.793 5.424 1.00 4.72 C ATOM 1038 O SER A 65 6.140 -5.531 4.601 1.00 3.91 O ATOM 1039 CB SER A 65 8.072 -2.874 4.532 1.00 7.28 C ATOM 1040 OG SER A 65 9.377 -2.348 4.333 1.00 10.56 O ATOM 0 H SER A 65 9.041 -4.957 3.473 1.00 6.85 H new ATOM 0 HA SER A 65 8.686 -4.209 6.153 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.556 -2.946 3.575 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.493 -2.193 5.156 1.00 7.28 H new ATOM 0 HG SER A 65 9.787 -2.777 3.553 1.00 10.56 H new ATOM 1046 N THR A 66 6.064 -4.462 6.549 1.00 4.48 N ATOM 1047 CA THR A 66 4.654 -4.868 6.782 1.00 3.80 C ATOM 1048 C THR A 66 3.912 -3.541 6.791 1.00 4.60 C ATOM 1049 O THR A 66 4.223 -2.631 7.576 1.00 5.33 O ATOM 1050 CB THR A 66 4.575 -5.560 8.131 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.308 -6.819 8.121 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.130 -5.895 8.330 1.00 3.40 C ATOM 0 H THR A 66 6.485 -3.925 7.307 1.00 4.48 H new ATOM 0 HA THR A 66 4.245 -5.558 6.044 1.00 3.80 H new ATOM 0 HB THR A 66 4.992 -4.917 8.906 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.242 -7.243 9.002 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.002 -6.398 9.288 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.539 -4.979 8.319 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.795 -6.552 7.527 1.00 3.40 H new ATOM 1060 N LEU A 67 2.968 -3.466 5.911 1.00 4.17 N ATOM 1061 CA LEU A 67 2.296 -2.235 5.730 1.00 3.85 C ATOM 1062 C LEU A 67 0.800 -2.423 6.166 1.00 3.80 C ATOM 1063 O LEU A 67 0.187 -3.485 6.051 1.00 5.54 O ATOM 1064 CB LEU A 67 2.263 -1.675 4.292 1.00 7.18 C ATOM 1065 CG LEU A 67 3.683 -1.464 3.760 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.140 -2.527 2.712 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.793 -0.134 3.113 1.00 11.66 C ATOM 0 H LEU A 67 2.653 -4.233 5.317 1.00 4.17 H new ATOM 0 HA LEU A 67 2.864 -1.522 6.328 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.724 -2.363 3.641 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.720 -0.730 4.277 1.00 7.18 H new ATOM 0 HG LEU A 67 4.328 -1.554 4.634 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.156 -2.304 2.387 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.113 -3.519 3.164 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.470 -2.502 1.852 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.807 0.006 2.738 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.088 -0.073 2.284 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.565 0.645 3.841 1.00 11.66 H new ATOM 1079 N HIS A 68 0.223 -1.315 6.674 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.201 -1.300 7.069 1.00 4.17 C ATOM 1081 C HIS A 68 -2.078 -0.781 5.998 1.00 5.32 C ATOM 1082 O HIS A 68 -1.799 0.242 5.374 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.413 -0.505 8.436 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.442 -0.969 9.458 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.890 -0.622 9.559 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.696 -1.830 10.538 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.470 -1.309 10.614 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.522 -2.049 11.294 1.00 16.30 N ATOM 0 H HIS A 68 0.712 -0.432 6.819 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.494 -2.336 7.236 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.289 0.564 8.266 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.431 -0.654 8.797 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.657 -2.265 10.771 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.519 -1.271 10.869 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.649 -2.617 12.132 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.208 -1.476 5.668 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.115 -0.990 4.639 1.00 3.97 C ATOM 1098 C LEU A 69 -5.479 -0.794 5.186 1.00 5.07 C ATOM 1099 O LEU A 69 -6.226 -1.715 5.459 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.071 -1.978 3.468 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.022 -1.687 2.302 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.619 -2.553 1.086 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.538 -1.973 2.518 1.00 9.96 C ATOM 0 H LEU A 69 -3.489 -2.355 6.103 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.805 -0.010 4.278 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.052 -2.005 3.081 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.293 -2.974 3.851 1.00 6.08 H new ATOM 0 HG LEU A 69 -4.916 -0.610 2.172 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.293 -2.349 0.254 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -3.597 -2.314 0.792 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.682 -3.608 1.354 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.089 -1.721 1.612 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.680 -3.029 2.747 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.908 -1.369 3.347 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.901 0.481 5.386 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.204 0.817 5.871 1.00 6.26 C ATOM 1117 C VAL A 70 -8.133 1.015 4.702 1.00 9.22 C ATOM 1118 O VAL A 70 -7.719 1.639 3.711 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.195 2.112 6.644 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.410 2.172 7.574 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.864 2.100 7.478 1.00 8.54 C ATOM 0 H VAL A 70 -5.314 1.295 5.203 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.527 0.003 6.520 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.245 2.980 5.987 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.397 3.110 8.129 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.324 2.113 6.983 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.375 1.336 8.273 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.794 3.016 8.065 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.861 1.239 8.147 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.011 2.036 6.802 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.359 0.412 4.743 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.317 0.672 3.687 1.00 16.06 C ATOM 1133 C LEU A 71 -10.806 2.090 3.802 1.00 18.09 C ATOM 1134 O LEU A 71 -11.065 2.610 4.914 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.502 -0.229 3.681 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.097 -1.656 3.472 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.048 -2.572 4.228 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.024 -2.115 2.008 1.00 19.57 C ATOM 0 H LEU A 71 -9.674 -0.227 5.473 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.782 0.488 2.755 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.038 -0.135 4.625 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.190 0.076 2.892 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.078 -1.718 3.853 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.752 -3.610 4.075 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.011 -2.337 5.292 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.063 -2.426 3.860 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.722 -3.162 1.969 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.003 -2.002 1.542 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.295 -1.507 1.472 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.075 2.738 2.677 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.557 4.097 2.512 1.00 25.83 C ATOM 1152 C ARG A 72 -12.854 4.111 1.835 1.00 27.74 C ATOM 1153 O ARG A 72 -12.954 3.942 0.647 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.486 5.037 1.877 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.808 6.572 1.836 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.468 7.330 3.091 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.628 8.762 2.738 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.065 9.848 3.310 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.459 9.689 4.464 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.996 11.013 2.600 1.00 35.02 N ATOM 0 H ARG A 72 -10.948 2.280 1.774 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.730 4.521 3.501 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.553 4.903 2.424 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.307 4.703 0.855 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.266 7.019 1.002 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.871 6.699 1.630 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.130 7.051 3.911 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.450 7.116 3.416 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.251 8.953 1.953 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.425 8.767 4.899 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.023 10.487 4.925 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.367 11.054 1.651 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.574 11.841 3.019 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.920 4.456 2.524 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.243 4.113 2.060 1.00 30.76 C ATOM 1176 C LEU A 73 -16.058 5.346 1.720 1.00 32.18 C ATOM 1177 O LEU A 73 -15.899 6.479 2.153 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.940 3.406 3.281 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.077 2.249 3.866 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.710 1.709 5.171 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.068 1.113 2.816 1.00 29.11 C ATOM 0 H LEU A 73 -13.895 4.972 3.404 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.178 3.496 1.164 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.134 4.142 4.061 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.906 3.012 2.967 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.071 2.607 4.088 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.095 0.901 5.567 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.771 2.512 5.905 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.711 1.333 4.961 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.472 0.279 3.187 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.089 0.777 2.635 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.637 1.481 1.885 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.043 5.227 0.836 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.882 6.295 0.432 1.00 35.33 C ATOM 1195 C ARG A 74 -18.795 6.763 1.539 1.00 36.22 C ATOM 1196 O ARG A 74 -19.110 7.954 1.690 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.669 5.966 -0.822 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.969 5.413 -2.008 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.998 6.511 -2.524 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.289 6.003 -3.742 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.304 6.670 -4.342 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.956 7.941 -4.028 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.528 6.093 -5.256 1.00 41.93 N ATOM 0 H ARG A 74 -17.268 4.344 0.378 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.215 7.123 0.192 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.445 5.254 -0.541 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.173 6.879 -1.138 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.421 4.509 -1.744 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.684 5.137 -2.783 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.550 7.420 -2.762 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.276 6.770 -1.749 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.574 5.104 -4.130 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.459 8.441 -3.295 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.191 8.398 -4.525 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.681 5.118 -5.512 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.781 6.626 -5.700 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.142 5.853 2.445 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.944 6.147 3.612 1.00 36.07 C ATOM 1219 C GLY A 75 -19.108 6.732 4.718 1.00 36.16 C ATOM 1220 O GLY A 75 -19.599 6.882 5.808 1.00 36.26 O ATOM 0 H GLY A 75 -18.864 4.874 2.380 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.737 6.846 3.344 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.428 5.235 3.962 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.816 6.970 4.445 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.817 7.168 5.500 1.00 36.19 C ATOM 1226 C GLY A 76 -15.756 8.190 5.016 1.00 36.20 C ATOM 1227 O GLY A 76 -14.550 8.052 5.434 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.217 9.145 4.348 1.00 0.00 O ATOM 0 H GLY A 76 -17.440 7.030 3.499 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.298 7.529 6.409 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.339 6.220 5.747 1.00 36.19 H new TER 1232 GLY A 76