USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 56 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0109) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 0.98 (180deg=0.833) USER MOD Single : A 9 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.761 K(o=0.76,f=-0.022) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 53 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 61 SER OG : rot 28:sc= 0.0094 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.386 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.881 K(o=0.88,f=-0.01) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.592 K(o=0.59,f=-0.0067) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -10.126 -23.064 -16.810 1.00 0.00 N ATOM 77 CA MET A 1 -11.424 -22.788 -16.175 1.00 0.00 C ATOM 78 C MET A 1 -12.054 -24.074 -15.612 1.00 0.00 C ATOM 79 O MET A 1 -12.218 -25.064 -16.329 1.00 0.00 O ATOM 80 CB MET A 1 -12.353 -22.095 -17.186 1.00 0.00 C ATOM 81 CG MET A 1 -13.666 -21.631 -16.539 1.00 0.00 C ATOM 82 SD MET A 1 -14.814 -20.777 -17.657 1.00 0.00 S ATOM 83 CE MET A 1 -15.402 -22.172 -18.660 1.00 0.00 C ATOM 0 H1 MET A 1 -9.725 -22.179 -17.180 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.476 -23.471 -16.108 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.258 -23.737 -17.591 1.00 0.00 H new ATOM 0 HA MET A 1 -11.271 -22.118 -15.329 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.840 -21.237 -17.620 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.575 -22.781 -18.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.172 -22.499 -16.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.429 -20.966 -15.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.158 -21.822 -19.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.566 -22.602 -19.211 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.836 -22.931 -18.009 1.00 0.00 H new ATOM 93 N ASP A 2 -12.448 -24.042 -14.337 1.00 0.00 N ATOM 94 CA ASP A 2 -13.106 -25.134 -13.604 1.00 0.00 C ATOM 95 C ASP A 2 -14.206 -24.589 -12.662 1.00 0.00 C ATOM 96 O ASP A 2 -14.165 -23.416 -12.275 1.00 0.00 O ATOM 97 CB ASP A 2 -12.054 -25.914 -12.792 1.00 0.00 C ATOM 98 CG ASP A 2 -11.215 -26.862 -13.665 1.00 0.00 C ATOM 99 OD1 ASP A 2 -10.000 -26.609 -13.851 1.00 0.00 O ATOM 100 OD2 ASP A 2 -11.760 -27.895 -14.125 1.00 0.00 O ATOM 0 H ASP A 2 -12.312 -23.215 -13.756 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.580 -25.800 -14.325 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.392 -25.208 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.555 -26.491 -12.014 1.00 0.00 H new ATOM 105 N PRO A 3 -15.185 -25.416 -12.236 1.00 0.00 N ATOM 106 CA PRO A 3 -16.221 -24.997 -11.285 1.00 0.00 C ATOM 107 C PRO A 3 -15.725 -24.792 -9.850 1.00 0.00 C ATOM 108 O PRO A 3 -16.420 -24.174 -9.040 1.00 0.00 O ATOM 109 CB PRO A 3 -17.313 -26.069 -11.385 1.00 0.00 C ATOM 110 CG PRO A 3 -16.540 -27.325 -11.788 1.00 0.00 C ATOM 111 CD PRO A 3 -15.436 -26.778 -12.692 1.00 0.00 C ATOM 0 HA PRO A 3 -16.591 -24.005 -11.545 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.832 -26.204 -10.436 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.067 -25.806 -12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.131 -27.842 -10.920 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.175 -28.038 -12.314 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.535 -27.387 -12.620 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.745 -26.789 -13.737 1.00 0.00 H new ATOM 119 N LEU A 4 -14.515 -25.258 -9.551 1.00 0.00 N ATOM 120 CA LEU A 4 -13.906 -25.291 -8.220 1.00 0.00 C ATOM 121 C LEU A 4 -12.774 -24.252 -8.050 1.00 0.00 C ATOM 122 O LEU A 4 -11.706 -24.555 -7.523 1.00 0.00 O ATOM 123 CB LEU A 4 -13.482 -26.741 -7.895 1.00 0.00 C ATOM 124 CG LEU A 4 -14.627 -27.768 -7.809 1.00 0.00 C ATOM 125 CD1 LEU A 4 -14.042 -29.160 -7.566 1.00 0.00 C ATOM 126 CD2 LEU A 4 -15.609 -27.461 -6.675 1.00 0.00 C ATOM 0 H LEU A 4 -13.899 -25.643 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.647 -24.985 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.777 -27.073 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.948 -26.740 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.169 -27.720 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.850 -29.889 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.377 -29.424 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.481 -29.161 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.395 -28.216 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.079 -27.470 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.053 -26.478 -6.834 1.00 0.00 H new ATOM 138 N ASP A 5 -13.006 -23.009 -8.483 1.00 0.00 N ATOM 139 CA ASP A 5 -12.088 -21.868 -8.271 1.00 0.00 C ATOM 140 C ASP A 5 -12.552 -20.858 -7.199 1.00 0.00 C ATOM 141 O ASP A 5 -11.865 -19.866 -6.941 1.00 0.00 O ATOM 142 CB ASP A 5 -11.813 -21.168 -9.615 1.00 0.00 C ATOM 143 CG ASP A 5 -10.847 -21.953 -10.522 1.00 0.00 C ATOM 144 OD1 ASP A 5 -9.736 -22.313 -10.061 1.00 0.00 O ATOM 145 OD2 ASP A 5 -11.165 -22.156 -11.718 1.00 0.00 O ATOM 0 H ASP A 5 -13.848 -22.756 -9.000 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.165 -22.288 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.757 -21.022 -10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.398 -20.178 -9.424 1.00 0.00 H new ATOM 150 N LYS A 6 -13.719 -21.093 -6.582 1.00 0.00 N ATOM 151 CA LYS A 6 -14.455 -20.085 -5.779 1.00 0.00 C ATOM 152 C LYS A 6 -14.809 -20.563 -4.372 1.00 0.00 C ATOM 153 O LYS A 6 -14.396 -19.961 -3.382 1.00 0.00 O ATOM 154 CB LYS A 6 -15.721 -19.580 -6.512 1.00 0.00 C ATOM 155 CG LYS A 6 -15.538 -19.341 -8.021 1.00 0.00 C ATOM 156 CD LYS A 6 -15.974 -20.541 -8.881 1.00 0.00 C ATOM 157 CE LYS A 6 -17.505 -20.643 -8.964 1.00 0.00 C ATOM 158 NZ LYS A 6 -17.929 -21.816 -9.771 1.00 0.00 N ATOM 0 H LYS A 6 -14.190 -21.997 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.762 -19.252 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.522 -20.305 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.046 -18.649 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.113 -18.463 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.490 -19.119 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.559 -20.442 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.569 -21.460 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.921 -20.722 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.908 -19.731 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.941 -21.996 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.762 -21.622 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.380 -22.652 -9.484 1.00 0.00 H new ATOM 172 N ILE A 7 -15.562 -21.664 -4.303 1.00 0.00 N ATOM 173 CA ILE A 7 -16.099 -22.265 -3.068 1.00 0.00 C ATOM 174 C ILE A 7 -15.420 -23.593 -2.695 1.00 0.00 C ATOM 175 O ILE A 7 -15.834 -24.248 -1.738 1.00 0.00 O ATOM 176 CB ILE A 7 -17.646 -22.359 -3.138 1.00 0.00 C ATOM 177 CG1 ILE A 7 -18.235 -23.062 -4.386 1.00 0.00 C ATOM 178 CG2 ILE A 7 -18.236 -20.939 -3.068 1.00 0.00 C ATOM 179 CD1 ILE A 7 -17.799 -24.517 -4.595 1.00 0.00 C ATOM 0 H ILE A 7 -15.828 -22.186 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 7 -15.852 -21.598 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.923 -22.986 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.322 -23.034 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.956 -22.488 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.324 -20.994 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -17.938 -20.467 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -17.865 -20.349 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.269 -24.912 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.715 -24.560 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -18.102 -25.115 -3.736 1.00 0.00 H new ATOM 191 N ILE A 8 -14.376 -23.986 -3.442 1.00 0.00 N ATOM 192 CA ILE A 8 -13.719 -25.311 -3.370 1.00 0.00 C ATOM 193 C ILE A 8 -13.423 -25.826 -1.947 1.00 0.00 C ATOM 194 O ILE A 8 -13.673 -26.994 -1.642 1.00 0.00 O ATOM 195 CB ILE A 8 -12.440 -25.324 -4.249 1.00 0.00 C ATOM 196 CG1 ILE A 8 -11.793 -26.732 -4.267 1.00 0.00 C ATOM 197 CG2 ILE A 8 -11.416 -24.236 -3.862 1.00 0.00 C ATOM 198 CD1 ILE A 8 -10.553 -26.889 -5.158 1.00 0.00 C ATOM 0 H ILE A 8 -13.948 -23.374 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.450 -26.017 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.763 -25.079 -5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.519 -26.998 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.544 -27.452 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.548 -24.304 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.873 -23.252 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.103 -24.382 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.185 -27.913 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.816 -26.663 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.775 -26.202 -4.824 1.00 0.00 H new ATOM 210 N ASN A 9 -12.878 -24.962 -1.089 1.00 0.00 N ATOM 211 CA ASN A 9 -12.305 -25.322 0.218 1.00 0.00 C ATOM 212 C ASN A 9 -12.541 -24.242 1.295 1.00 0.00 C ATOM 213 O ASN A 9 -11.804 -24.144 2.277 1.00 0.00 O ATOM 214 CB ASN A 9 -10.816 -25.674 -0.012 1.00 0.00 C ATOM 215 CG ASN A 9 -10.238 -26.642 1.008 1.00 0.00 C ATOM 216 OD1 ASN A 9 -10.093 -27.831 0.764 1.00 0.00 O ATOM 217 ND2 ASN A 9 -9.872 -26.173 2.175 1.00 0.00 N ATOM 0 H ASN A 9 -12.819 -23.963 -1.286 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.815 -26.193 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.706 -26.104 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.231 -24.755 0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.469 -26.799 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.990 -25.182 2.386 1.00 0.00 H new ATOM 224 N ASP A 10 -13.563 -23.400 1.114 1.00 0.00 N ATOM 225 CA ASP A 10 -13.680 -22.110 1.811 1.00 0.00 C ATOM 226 C ASP A 10 -14.279 -22.174 3.235 1.00 0.00 C ATOM 227 O ASP A 10 -14.644 -21.156 3.827 1.00 0.00 O ATOM 228 CB ASP A 10 -14.388 -21.111 0.877 1.00 0.00 C ATOM 229 CG ASP A 10 -14.247 -19.642 1.321 1.00 0.00 C ATOM 230 OD1 ASP A 10 -13.099 -19.178 1.530 1.00 0.00 O ATOM 231 OD2 ASP A 10 -15.278 -18.930 1.407 1.00 0.00 O ATOM 0 H ASP A 10 -14.337 -23.592 0.478 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.671 -21.755 2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.983 -21.218 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.447 -21.365 0.823 1.00 0.00 H new ATOM 236 N ILE A 11 -14.384 -23.385 3.790 1.00 0.00 N ATOM 237 CA ILE A 11 -14.950 -23.672 5.124 1.00 0.00 C ATOM 238 C ILE A 11 -14.268 -24.852 5.846 1.00 0.00 C ATOM 239 O ILE A 11 -14.858 -25.511 6.705 1.00 0.00 O ATOM 240 CB ILE A 11 -16.498 -23.751 5.016 1.00 0.00 C ATOM 241 CG1 ILE A 11 -17.203 -23.525 6.374 1.00 0.00 C ATOM 242 CG2 ILE A 11 -16.966 -25.038 4.309 1.00 0.00 C ATOM 243 CD1 ILE A 11 -18.707 -23.250 6.247 1.00 0.00 C ATOM 0 H ILE A 11 -14.067 -24.228 3.310 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.722 -22.844 5.796 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.806 -22.921 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.055 -24.404 7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.730 -22.686 6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.055 -25.049 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.554 -25.069 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.621 -25.907 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.135 -23.101 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -18.864 -22.354 5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -19.193 -24.099 5.766 1.00 0.00 H new ATOM 255 N LYS A 12 -12.994 -25.112 5.516 1.00 0.00 N ATOM 256 CA LYS A 12 -12.180 -26.174 6.140 1.00 0.00 C ATOM 257 C LYS A 12 -10.802 -25.705 6.630 1.00 0.00 C ATOM 258 O LYS A 12 -10.395 -26.061 7.738 1.00 0.00 O ATOM 259 CB LYS A 12 -12.065 -27.346 5.144 1.00 0.00 C ATOM 260 CG LYS A 12 -11.280 -28.541 5.711 1.00 0.00 C ATOM 261 CD LYS A 12 -11.110 -29.654 4.670 1.00 0.00 C ATOM 262 CE LYS A 12 -10.230 -30.762 5.259 1.00 0.00 C ATOM 263 NZ LYS A 12 -9.959 -31.842 4.276 1.00 0.00 N ATOM 0 H LYS A 12 -12.491 -24.587 4.801 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.690 -26.495 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.065 -27.676 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.577 -26.996 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.299 -28.205 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.799 -28.936 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.083 -30.057 4.388 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.655 -29.255 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.286 -30.334 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.719 -31.185 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.361 -32.570 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.858 -32.269 3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.469 -31.444 3.450 1.00 0.00 H new ATOM 608 N LEU A 35 -9.993 3.745 -0.084 1.00 0.00 N ATOM 609 CA LEU A 35 -9.324 4.218 1.134 1.00 0.00 C ATOM 610 C LEU A 35 -9.881 5.572 1.615 1.00 0.00 C ATOM 611 O LEU A 35 -10.485 6.321 0.841 1.00 0.00 O ATOM 612 CB LEU A 35 -7.810 4.300 0.858 1.00 0.00 C ATOM 613 CG LEU A 35 -7.116 2.934 0.710 1.00 0.00 C ATOM 614 CD1 LEU A 35 -5.631 3.147 0.435 1.00 0.00 C ATOM 615 CD2 LEU A 35 -7.265 2.081 1.970 1.00 0.00 C ATOM 0 HA LEU A 35 -9.516 3.511 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.650 4.876 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.334 4.850 1.670 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.592 2.409 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.138 2.180 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.510 3.718 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.182 3.695 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.761 1.125 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.818 2.602 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.323 1.907 2.169 1.00 0.00 H new ATOM 627 N SER A 36 -9.649 5.897 2.894 1.00 0.00 N ATOM 628 CA SER A 36 -9.939 7.228 3.464 1.00 0.00 C ATOM 629 C SER A 36 -8.919 8.264 2.967 1.00 0.00 C ATOM 630 O SER A 36 -7.901 7.891 2.393 1.00 0.00 O ATOM 631 CB SER A 36 -9.961 7.143 4.996 1.00 0.00 C ATOM 632 OG SER A 36 -10.438 8.355 5.558 1.00 0.00 O ATOM 0 H SER A 36 -9.253 5.243 3.569 1.00 0.00 H new ATOM 0 HA SER A 36 -10.923 7.556 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.597 6.315 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.958 6.934 5.368 1.00 0.00 H new ATOM 0 HG SER A 36 -10.447 8.281 6.535 1.00 0.00 H new ATOM 638 N GLU A 37 -9.140 9.563 3.178 1.00 0.00 N ATOM 639 CA GLU A 37 -8.264 10.626 2.651 1.00 0.00 C ATOM 640 C GLU A 37 -6.803 10.479 3.121 1.00 0.00 C ATOM 641 O GLU A 37 -5.883 10.501 2.303 1.00 0.00 O ATOM 642 CB GLU A 37 -8.849 11.995 3.035 1.00 0.00 C ATOM 643 CG GLU A 37 -8.068 13.167 2.427 1.00 0.00 C ATOM 644 CD GLU A 37 -8.747 14.511 2.754 1.00 0.00 C ATOM 645 OE1 GLU A 37 -8.460 15.099 3.826 1.00 0.00 O ATOM 646 OE2 GLU A 37 -9.571 14.996 1.938 1.00 0.00 O ATOM 0 H GLU A 37 -9.930 9.914 3.719 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.232 10.538 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.887 12.047 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.853 12.092 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.048 13.168 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.001 13.043 1.346 1.00 0.00 H new ATOM 653 N GLN A 38 -6.579 10.243 4.419 1.00 0.00 N ATOM 654 CA GLN A 38 -5.234 10.042 4.976 1.00 0.00 C ATOM 655 C GLN A 38 -4.648 8.694 4.533 1.00 0.00 C ATOM 656 O GLN A 38 -3.487 8.619 4.136 1.00 0.00 O ATOM 657 CB GLN A 38 -5.294 10.144 6.509 1.00 0.00 C ATOM 658 CG GLN A 38 -3.893 10.225 7.140 1.00 0.00 C ATOM 659 CD GLN A 38 -3.933 9.939 8.638 1.00 0.00 C ATOM 660 OE1 GLN A 38 -3.959 10.829 9.478 1.00 0.00 O ATOM 661 NE2 GLN A 38 -3.953 8.679 9.026 1.00 0.00 N ATOM 0 H GLN A 38 -7.324 10.186 5.113 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.573 10.821 4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.869 11.026 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.822 9.278 6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.231 9.511 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.474 11.217 6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.932 7.931 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.990 8.452 10.020 1.00 0.00 H new ATOM 670 N GLN A 39 -5.464 7.634 4.547 1.00 0.00 N ATOM 671 CA GLN A 39 -5.079 6.297 4.080 1.00 0.00 C ATOM 672 C GLN A 39 -4.609 6.336 2.615 1.00 0.00 C ATOM 673 O GLN A 39 -3.542 5.823 2.287 1.00 0.00 O ATOM 674 CB GLN A 39 -6.260 5.336 4.258 1.00 0.00 C ATOM 675 CG GLN A 39 -6.607 4.981 5.716 1.00 0.00 C ATOM 676 CD GLN A 39 -5.855 3.752 6.227 1.00 0.00 C ATOM 677 OE1 GLN A 39 -6.047 2.639 5.758 1.00 0.00 O ATOM 678 NE2 GLN A 39 -4.989 3.890 7.207 1.00 0.00 N ATOM 0 H GLN A 39 -6.424 7.681 4.888 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.240 5.940 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.140 5.777 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.041 4.414 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.377 5.833 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.679 4.803 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.817 4.811 7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.489 3.076 7.565 1.00 0.00 H new ATOM 687 N LYS A 40 -5.346 7.027 1.740 1.00 0.00 N ATOM 688 CA LYS A 40 -5.011 7.196 0.321 1.00 0.00 C ATOM 689 C LYS A 40 -3.676 7.925 0.148 1.00 0.00 C ATOM 690 O LYS A 40 -2.871 7.501 -0.676 1.00 0.00 O ATOM 691 CB LYS A 40 -6.174 7.935 -0.360 1.00 0.00 C ATOM 692 CG LYS A 40 -5.970 8.113 -1.872 1.00 0.00 C ATOM 693 CD LYS A 40 -7.134 8.871 -2.526 1.00 0.00 C ATOM 694 CE LYS A 40 -8.435 8.055 -2.537 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.523 8.774 -3.252 1.00 0.00 N ATOM 0 H LYS A 40 -6.213 7.496 2.004 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.881 6.223 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.098 7.384 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.295 8.915 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.040 8.653 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.866 7.135 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.300 9.806 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.864 9.132 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.258 7.092 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.745 7.849 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.387 8.195 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.708 9.682 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.236 8.948 -4.236 1.00 0.00 H new ATOM 709 N ILE A 41 -3.393 8.957 0.952 1.00 0.00 N ATOM 710 CA ILE A 41 -2.095 9.656 0.931 1.00 0.00 C ATOM 711 C ILE A 41 -0.963 8.745 1.421 1.00 0.00 C ATOM 712 O ILE A 41 0.094 8.757 0.805 1.00 0.00 O ATOM 713 CB ILE A 41 -2.142 10.965 1.744 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.165 11.960 1.142 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.767 11.656 1.826 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.638 13.022 2.142 1.00 0.00 C ATOM 0 H ILE A 41 -4.052 9.333 1.634 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.887 9.920 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.448 10.683 2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.716 12.456 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.029 11.405 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.855 12.573 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.052 10.988 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.420 11.897 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.353 13.686 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.116 12.534 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.782 13.601 2.490 1.00 0.00 H new ATOM 728 N ILE A 42 -1.146 7.922 2.462 1.00 0.00 N ATOM 729 CA ILE A 42 -0.093 6.991 2.921 1.00 0.00 C ATOM 730 C ILE A 42 0.225 5.961 1.830 1.00 0.00 C ATOM 731 O ILE A 42 1.391 5.723 1.513 1.00 0.00 O ATOM 732 CB ILE A 42 -0.490 6.295 4.239 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.678 7.304 5.394 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.589 5.275 4.647 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.608 6.744 6.475 1.00 0.00 C ATOM 0 H ILE A 42 -2.009 7.878 3.004 1.00 0.00 H new ATOM 0 HA ILE A 42 0.807 7.573 3.119 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.441 5.793 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.291 7.543 5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.089 8.235 5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.298 4.790 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.694 4.524 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.540 5.788 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.720 7.477 7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.584 6.529 6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.182 5.827 6.882 1.00 0.00 H new ATOM 747 N LEU A 43 -0.820 5.397 1.219 1.00 0.00 N ATOM 748 CA LEU A 43 -0.715 4.453 0.104 1.00 0.00 C ATOM 749 C LEU A 43 0.029 5.088 -1.086 1.00 0.00 C ATOM 750 O LEU A 43 0.985 4.516 -1.615 1.00 0.00 O ATOM 751 CB LEU A 43 -2.152 3.990 -0.232 1.00 0.00 C ATOM 752 CG LEU A 43 -2.357 2.947 -1.345 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.266 3.541 -2.749 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.411 1.755 -1.189 1.00 0.00 C ATOM 0 H LEU A 43 -1.784 5.588 1.492 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.118 3.580 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.590 3.588 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.729 4.875 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.378 2.585 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.419 2.754 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.032 4.307 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.282 3.986 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.588 1.042 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.379 2.102 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.591 1.270 -0.229 1.00 0.00 H new ATOM 766 N ALA A 44 -0.377 6.299 -1.470 1.00 0.00 N ATOM 767 CA ALA A 44 0.186 7.055 -2.580 1.00 0.00 C ATOM 768 C ALA A 44 1.631 7.504 -2.327 1.00 0.00 C ATOM 769 O ALA A 44 2.499 7.220 -3.147 1.00 0.00 O ATOM 770 CB ALA A 44 -0.717 8.260 -2.832 1.00 0.00 C ATOM 0 H ALA A 44 -1.133 6.794 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 44 0.228 6.408 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.319 8.846 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.721 7.917 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.757 8.879 -1.936 1.00 0.00 H new ATOM 776 N GLU A 45 1.920 8.162 -1.198 1.00 0.00 N ATOM 777 CA GLU A 45 3.268 8.650 -0.866 1.00 0.00 C ATOM 778 C GLU A 45 4.303 7.518 -0.765 1.00 0.00 C ATOM 779 O GLU A 45 5.479 7.743 -1.054 1.00 0.00 O ATOM 780 CB GLU A 45 3.239 9.438 0.454 1.00 0.00 C ATOM 781 CG GLU A 45 2.582 10.822 0.331 1.00 0.00 C ATOM 782 CD GLU A 45 3.483 11.821 -0.422 1.00 0.00 C ATOM 783 OE1 GLU A 45 4.363 12.449 0.215 1.00 0.00 O ATOM 784 OE2 GLU A 45 3.312 11.994 -1.653 1.00 0.00 O ATOM 0 H GLU A 45 1.223 8.373 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 45 3.575 9.301 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.702 8.856 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.260 9.561 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.630 10.727 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.363 11.209 1.326 1.00 0.00 H new ATOM 791 N TYR A 46 3.882 6.297 -0.418 1.00 0.00 N ATOM 792 CA TYR A 46 4.753 5.123 -0.391 1.00 0.00 C ATOM 793 C TYR A 46 5.189 4.728 -1.813 1.00 0.00 C ATOM 794 O TYR A 46 6.374 4.750 -2.142 1.00 0.00 O ATOM 795 CB TYR A 46 4.012 3.995 0.348 1.00 0.00 C ATOM 796 CG TYR A 46 4.749 2.690 0.585 1.00 0.00 C ATOM 797 CD1 TYR A 46 4.007 1.575 1.022 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.145 2.582 0.425 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.656 0.357 1.308 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.799 1.376 0.738 1.00 0.00 C ATOM 801 CZ TYR A 46 6.057 0.263 1.181 1.00 0.00 C ATOM 802 OH TYR A 46 6.696 -0.902 1.463 1.00 0.00 O ATOM 0 H TYR A 46 2.919 6.097 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 46 5.676 5.340 0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.699 4.382 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.105 3.769 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.936 1.654 1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.713 3.426 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.082 -0.502 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.872 1.303 0.638 1.00 0.00 H new ATOM 0 HH TYR A 46 7.659 -0.790 1.321 1.00 0.00 H new ATOM 812 N ILE A 47 4.229 4.448 -2.693 1.00 0.00 N ATOM 813 CA ILE A 47 4.412 4.073 -4.095 1.00 0.00 C ATOM 814 C ILE A 47 5.084 5.200 -4.895 1.00 0.00 C ATOM 815 O ILE A 47 5.880 4.923 -5.785 1.00 0.00 O ATOM 816 CB ILE A 47 3.013 3.753 -4.653 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.515 2.430 -4.026 1.00 0.00 C ATOM 818 CG2 ILE A 47 2.990 3.682 -6.188 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.031 2.142 -4.276 1.00 0.00 C ATOM 0 H ILE A 47 3.244 4.479 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 47 5.071 3.209 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 47 2.342 4.568 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.107 1.606 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.693 2.460 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.979 3.454 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.303 4.641 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.671 2.901 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.759 1.197 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.428 2.945 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.848 2.078 -5.349 1.00 0.00 H new ATOM 831 N ALA A 48 4.811 6.464 -4.573 1.00 0.00 N ATOM 832 CA ALA A 48 5.433 7.625 -5.209 1.00 0.00 C ATOM 833 C ALA A 48 6.920 7.787 -4.833 1.00 0.00 C ATOM 834 O ALA A 48 7.696 8.347 -5.611 1.00 0.00 O ATOM 835 CB ALA A 48 4.618 8.860 -4.817 1.00 0.00 C ATOM 0 H ALA A 48 4.138 6.715 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 48 5.426 7.488 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.056 9.746 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.591 8.743 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.626 8.972 -3.733 1.00 0.00 H new ATOM 841 N GLU A 49 7.332 7.277 -3.667 1.00 0.00 N ATOM 842 CA GLU A 49 8.728 7.277 -3.212 1.00 0.00 C ATOM 843 C GLU A 49 9.487 6.015 -3.662 1.00 0.00 C ATOM 844 O GLU A 49 10.652 6.118 -4.056 1.00 0.00 O ATOM 845 CB GLU A 49 8.753 7.444 -1.682 1.00 0.00 C ATOM 846 CG GLU A 49 10.148 7.687 -1.087 1.00 0.00 C ATOM 847 CD GLU A 49 10.707 9.076 -1.460 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.402 10.067 -0.752 1.00 0.00 O ATOM 849 OE2 GLU A 49 11.466 9.190 -2.453 1.00 0.00 O ATOM 0 H GLU A 49 6.693 6.844 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 49 9.249 8.116 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.106 8.278 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.329 6.550 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.099 7.596 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.832 6.915 -1.441 1.00 0.00 H new ATOM 856 N VAL A 50 8.848 4.832 -3.641 1.00 0.00 N ATOM 857 CA VAL A 50 9.529 3.539 -3.887 1.00 0.00 C ATOM 858 C VAL A 50 9.137 2.852 -5.203 1.00 0.00 C ATOM 859 O VAL A 50 9.725 1.836 -5.575 1.00 0.00 O ATOM 860 CB VAL A 50 9.460 2.592 -2.672 1.00 0.00 C ATOM 861 CG1 VAL A 50 9.683 3.312 -1.336 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.166 1.776 -2.594 1.00 0.00 C ATOM 0 H VAL A 50 7.849 4.740 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 50 10.579 3.800 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 50 10.284 1.899 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.622 2.592 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.667 3.780 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.918 4.077 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.193 1.134 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.313 2.452 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.070 1.160 -3.488 1.00 0.00 H new ATOM 872 N GLY A 51 8.169 3.408 -5.932 1.00 0.00 N ATOM 873 CA GLY A 51 7.958 3.164 -7.369 1.00 0.00 C ATOM 874 C GLY A 51 7.087 1.954 -7.717 1.00 0.00 C ATOM 875 O GLY A 51 7.284 1.347 -8.770 1.00 0.00 O ATOM 0 H GLY A 51 7.490 4.057 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.504 4.053 -7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.931 3.036 -7.844 1.00 0.00 H new ATOM 879 N LEU A 52 6.185 1.556 -6.810 1.00 0.00 N ATOM 880 CA LEU A 52 5.309 0.363 -6.875 1.00 0.00 C ATOM 881 C LEU A 52 6.048 -0.990 -7.065 1.00 0.00 C ATOM 882 O LEU A 52 5.437 -2.021 -7.340 1.00 0.00 O ATOM 883 CB LEU A 52 4.187 0.582 -7.926 1.00 0.00 C ATOM 884 CG LEU A 52 2.760 0.262 -7.433 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.739 0.679 -8.492 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.522 -1.207 -7.095 1.00 0.00 C ATOM 0 H LEU A 52 6.033 2.088 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 52 4.858 0.265 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.217 1.620 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.401 -0.036 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 52 2.642 0.827 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.734 0.451 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.824 1.750 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.931 0.134 -9.417 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.494 -1.341 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.695 -1.817 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.207 -1.514 -6.304 1.00 0.00 H new ATOM 898 N GLN A 53 7.374 -0.991 -6.927 1.00 0.00 N ATOM 899 CA GLN A 53 8.266 -2.118 -7.261 1.00 0.00 C ATOM 900 C GLN A 53 9.149 -2.573 -6.086 1.00 0.00 C ATOM 901 O GLN A 53 9.867 -3.568 -6.194 1.00 0.00 O ATOM 902 CB GLN A 53 9.076 -1.759 -8.520 1.00 0.00 C ATOM 903 CG GLN A 53 10.132 -0.666 -8.283 1.00 0.00 C ATOM 904 CD GLN A 53 10.585 -0.020 -9.588 1.00 0.00 C ATOM 905 OE1 GLN A 53 11.661 -0.279 -10.111 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.774 0.843 -10.159 1.00 0.00 N ATOM 0 H GLN A 53 7.881 -0.182 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 53 7.649 -2.991 -7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.571 -2.656 -8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.391 -1.427 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.722 0.098 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.993 -1.098 -7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.876 1.062 -9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.042 1.293 -11.034 1.00 0.00 H new ATOM 915 N ASN A 54 9.068 -1.860 -4.957 1.00 0.00 N ATOM 916 CA ASN A 54 9.737 -2.200 -3.693 1.00 0.00 C ATOM 917 C ASN A 54 8.753 -2.369 -2.515 1.00 0.00 C ATOM 918 O ASN A 54 9.181 -2.652 -1.394 1.00 0.00 O ATOM 919 CB ASN A 54 10.810 -1.142 -3.387 1.00 0.00 C ATOM 920 CG ASN A 54 11.898 -1.040 -4.442 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.818 -1.844 -4.499 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.841 -0.049 -5.303 1.00 0.00 N ATOM 0 H ASN A 54 8.518 -1.003 -4.894 1.00 0.00 H new ATOM 0 HA ASN A 54 10.211 -3.174 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.328 -0.170 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.270 -1.374 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.563 0.049 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.075 0.623 -5.257 1.00 0.00 H new ATOM 929 N ILE A 55 7.445 -2.204 -2.756 1.00 0.00 N ATOM 930 CA ILE A 55 6.405 -2.414 -1.737 1.00 0.00 C ATOM 931 C ILE A 55 6.135 -3.906 -1.505 1.00 0.00 C ATOM 932 O ILE A 55 6.325 -4.734 -2.400 1.00 0.00 O ATOM 933 CB ILE A 55 5.100 -1.632 -2.016 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.258 -2.202 -3.177 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.386 -0.139 -2.235 1.00 0.00 C ATOM 936 CD1 ILE A 55 2.918 -1.473 -3.305 1.00 0.00 C ATOM 0 H ILE A 55 7.077 -1.921 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 55 6.806 -1.999 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 55 4.492 -1.754 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.814 -2.112 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.081 -3.265 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.451 0.386 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.857 0.276 -1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.054 -0.018 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.350 -1.899 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.353 -1.586 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.096 -0.414 -3.494 1.00 0.00 H new ATOM 948 N THR A 56 5.647 -4.243 -0.313 1.00 0.00 N ATOM 949 CA THR A 56 5.310 -5.609 0.104 1.00 0.00 C ATOM 950 C THR A 56 4.013 -5.595 0.893 1.00 0.00 C ATOM 951 O THR A 56 3.779 -4.665 1.656 1.00 0.00 O ATOM 952 CB THR A 56 6.433 -6.222 0.970 1.00 0.00 C ATOM 953 OG1 THR A 56 7.091 -5.249 1.750 1.00 0.00 O ATOM 954 CG2 THR A 56 7.491 -6.915 0.114 1.00 0.00 C ATOM 0 H THR A 56 5.468 -3.552 0.416 1.00 0.00 H new ATOM 0 HA THR A 56 5.195 -6.220 -0.791 1.00 0.00 H new ATOM 0 HB THR A 56 5.939 -6.945 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.792 -5.677 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.264 -7.333 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.026 -7.715 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.939 -6.191 -0.567 1.00 0.00 H new ATOM 962 N ALA A 57 3.174 -6.627 0.773 1.00 0.00 N ATOM 963 CA ALA A 57 1.906 -6.720 1.498 1.00 0.00 C ATOM 964 C ALA A 57 2.113 -6.752 3.021 1.00 0.00 C ATOM 965 O ALA A 57 1.269 -6.274 3.769 1.00 0.00 O ATOM 966 CB ALA A 57 1.159 -7.967 1.015 1.00 0.00 C ATOM 0 H ALA A 57 3.357 -7.426 0.166 1.00 0.00 H new ATOM 0 HA ALA A 57 1.313 -5.829 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.211 -8.051 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.970 -7.886 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.764 -8.852 1.210 1.00 0.00 H new ATOM 972 N ILE A 58 3.266 -7.249 3.476 1.00 0.00 N ATOM 973 CA ILE A 58 3.683 -7.269 4.883 1.00 0.00 C ATOM 974 C ILE A 58 3.879 -5.836 5.389 1.00 0.00 C ATOM 975 O ILE A 58 3.360 -5.452 6.436 1.00 0.00 O ATOM 976 CB ILE A 58 5.002 -8.066 5.015 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.829 -9.598 4.855 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.630 -7.833 6.404 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.342 -10.100 3.489 1.00 0.00 C ATOM 0 H ILE A 58 3.960 -7.663 2.854 1.00 0.00 H new ATOM 0 HA ILE A 58 2.911 -7.749 5.485 1.00 0.00 H new ATOM 0 HB ILE A 58 5.635 -7.700 4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.787 -10.072 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.126 -9.942 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.558 -8.400 6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.841 -6.772 6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.936 -8.163 7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.263 -11.187 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.365 -9.669 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.052 -9.801 2.717 1.00 0.00 H new ATOM 991 N THR A 59 4.633 -5.038 4.635 1.00 0.00 N ATOM 992 CA THR A 59 5.009 -3.678 5.018 1.00 0.00 C ATOM 993 C THR A 59 3.847 -2.729 4.771 1.00 0.00 C ATOM 994 O THR A 59 3.501 -1.958 5.653 1.00 0.00 O ATOM 995 CB THR A 59 6.273 -3.274 4.256 1.00 0.00 C ATOM 996 OG1 THR A 59 7.330 -4.131 4.639 1.00 0.00 O ATOM 997 CG2 THR A 59 6.732 -1.852 4.549 1.00 0.00 C ATOM 0 H THR A 59 5.005 -5.322 3.729 1.00 0.00 H new ATOM 0 HA THR A 59 5.235 -3.629 6.083 1.00 0.00 H new ATOM 0 HB THR A 59 6.027 -3.344 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.145 -3.882 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.633 -1.635 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.945 -1.151 4.270 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.947 -1.751 5.613 1.00 0.00 H new ATOM 1005 N LEU A 60 3.152 -2.846 3.639 1.00 0.00 N ATOM 1006 CA LEU A 60 1.941 -2.093 3.318 1.00 0.00 C ATOM 1007 C LEU A 60 0.802 -2.372 4.322 1.00 0.00 C ATOM 1008 O LEU A 60 0.105 -1.439 4.720 1.00 0.00 O ATOM 1009 CB LEU A 60 1.570 -2.417 1.855 1.00 0.00 C ATOM 1010 CG LEU A 60 0.472 -1.534 1.245 1.00 0.00 C ATOM 1011 CD1 LEU A 60 0.971 -0.110 1.048 1.00 0.00 C ATOM 1012 CD2 LEU A 60 0.057 -2.074 -0.118 1.00 0.00 C ATOM 0 H LEU A 60 3.426 -3.489 2.896 1.00 0.00 H new ATOM 0 HA LEU A 60 2.118 -1.021 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.467 -2.328 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.249 -3.457 1.801 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.374 -1.541 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.176 0.497 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.264 0.309 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.830 -0.115 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.722 -1.439 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.919 -2.081 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.324 -3.089 -0.007 1.00 0.00 H new ATOM 1024 N SER A 61 0.697 -3.603 4.845 1.00 0.00 N ATOM 1025 CA SER A 61 -0.174 -3.947 5.986 1.00 0.00 C ATOM 1026 C SER A 61 0.102 -3.103 7.229 1.00 0.00 C ATOM 1027 O SER A 61 -0.805 -2.733 7.976 1.00 0.00 O ATOM 1028 CB SER A 61 -0.092 -5.445 6.306 1.00 0.00 C ATOM 1029 OG SER A 61 -0.905 -5.792 7.410 1.00 0.00 O ATOM 0 H SER A 61 1.221 -4.401 4.484 1.00 0.00 H new ATOM 0 HA SER A 61 -1.193 -3.711 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.400 -6.020 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.943 -5.715 6.517 1.00 0.00 H new ATOM 0 HG SER A 61 -1.658 -5.168 7.470 1.00 0.00 H new ATOM 1035 N LYS A 62 1.359 -2.703 7.394 1.00 0.00 N ATOM 1036 CA LYS A 62 1.867 -1.967 8.555 1.00 0.00 C ATOM 1037 C LYS A 62 2.056 -0.463 8.320 1.00 0.00 C ATOM 1038 O LYS A 62 2.048 0.295 9.290 1.00 0.00 O ATOM 1039 CB LYS A 62 3.142 -2.642 9.085 1.00 0.00 C ATOM 1040 CG LYS A 62 2.831 -4.025 9.679 1.00 0.00 C ATOM 1041 CD LYS A 62 4.088 -4.652 10.288 1.00 0.00 C ATOM 1042 CE LYS A 62 3.748 -6.010 10.915 1.00 0.00 C ATOM 1043 NZ LYS A 62 4.931 -6.620 11.578 1.00 0.00 N ATOM 0 H LYS A 62 2.082 -2.888 6.698 1.00 0.00 H new ATOM 0 HA LYS A 62 1.094 -2.017 9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.866 -2.745 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.602 -2.011 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.059 -3.932 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.434 -4.678 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.850 -4.778 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.505 -3.988 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.947 -5.884 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.375 -6.684 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.664 -7.537 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.686 -6.763 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.272 -5.988 12.330 1.00 0.00 H new ATOM 1057 N LYS A 63 2.136 0.000 7.062 1.00 0.00 N ATOM 1058 CA LYS A 63 2.138 1.426 6.700 1.00 0.00 C ATOM 1059 C LYS A 63 0.782 2.063 7.021 1.00 0.00 C ATOM 1060 O LYS A 63 0.727 3.177 7.537 1.00 0.00 O ATOM 1061 CB LYS A 63 2.449 1.545 5.198 1.00 0.00 C ATOM 1062 CG LYS A 63 3.904 1.257 4.794 1.00 0.00 C ATOM 1063 CD LYS A 63 4.905 2.340 5.211 1.00 0.00 C ATOM 1064 CE LYS A 63 6.238 2.106 4.488 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.246 3.139 4.844 1.00 0.00 N ATOM 0 H LYS A 63 2.202 -0.618 6.253 1.00 0.00 H new ATOM 0 HA LYS A 63 2.897 1.954 7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.798 0.859 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.193 2.553 4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.209 0.308 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.950 1.135 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.513 3.327 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.055 2.316 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.623 1.119 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.074 2.114 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.133 2.948 4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.890 4.079 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.421 3.114 5.869 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.300 1.327 6.746 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.691 1.781 6.880 1.00 0.00 C ATOM 1081 C LEU A 64 -2.446 1.176 8.078 1.00 0.00 C ATOM 1082 O LEU A 64 -3.597 1.547 8.311 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.413 1.510 5.548 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.849 2.363 4.396 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.080 1.540 3.366 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.956 3.091 3.654 1.00 0.00 C ATOM 0 H LEU A 64 -0.231 0.366 6.412 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.676 2.849 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.320 0.454 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.477 1.718 5.664 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.169 3.068 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.708 2.197 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.240 1.043 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.742 0.792 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.525 3.684 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.654 2.364 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.486 3.748 4.344 1.00 0.00 H new ATOM 1098 N ASN A 65 -1.813 0.278 8.845 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.427 -0.503 9.932 1.00 0.00 C ATOM 1100 C ASN A 65 -3.672 -1.293 9.462 1.00 0.00 C ATOM 1101 O ASN A 65 -4.744 -1.234 10.072 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.654 0.380 11.178 1.00 0.00 C ATOM 1103 CG ASN A 65 -1.379 1.032 11.683 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -0.567 0.417 12.362 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -1.151 2.288 11.364 1.00 0.00 N ATOM 0 H ASN A 65 -0.823 0.066 8.722 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.726 -1.279 10.240 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.382 1.155 10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.085 -0.228 11.974 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.298 2.748 11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.827 2.801 10.798 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.522 -2.014 8.346 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.553 -2.835 7.691 1.00 0.00 C ATOM 1114 C ILE A 66 -4.277 -4.338 7.899 1.00 0.00 C ATOM 1115 O ILE A 66 -3.539 -4.722 8.809 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.677 -2.426 6.202 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.341 -2.525 5.432 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.352 -1.055 6.086 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.381 -2.025 3.986 1.00 0.00 C ATOM 0 H ILE A 66 -2.633 -2.044 7.847 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.523 -2.650 8.153 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.322 -3.151 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.585 -1.957 5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.018 -3.566 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.434 -0.778 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.347 -1.101 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.755 -0.310 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.395 -2.138 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.108 -2.607 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.668 -0.974 3.972 1.00 0.00 H new ATOM 1131 N THR A 67 -4.889 -5.199 7.081 1.00 0.00 N ATOM 1132 CA THR A 67 -4.541 -6.621 6.958 1.00 0.00 C ATOM 1133 C THR A 67 -3.609 -6.865 5.768 1.00 0.00 C ATOM 1134 O THR A 67 -3.594 -6.097 4.800 1.00 0.00 O ATOM 1135 CB THR A 67 -5.792 -7.504 6.819 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.440 -7.227 5.596 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.801 -7.296 7.948 1.00 0.00 C ATOM 0 H THR A 67 -5.658 -4.922 6.471 1.00 0.00 H new ATOM 0 HA THR A 67 -4.023 -6.896 7.877 1.00 0.00 H new ATOM 0 HB THR A 67 -5.444 -8.536 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.235 -7.793 5.512 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.661 -7.948 7.792 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.333 -7.535 8.903 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.130 -6.257 7.955 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.893 -7.994 5.777 1.00 0.00 N ATOM 1146 CA VAL A 68 -2.129 -8.471 4.607 1.00 0.00 C ATOM 1147 C VAL A 68 -3.057 -8.761 3.418 1.00 0.00 C ATOM 1148 O VAL A 68 -2.632 -8.660 2.272 1.00 0.00 O ATOM 1149 CB VAL A 68 -1.276 -9.709 4.977 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.509 -10.309 3.787 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.227 -9.340 6.038 1.00 0.00 C ATOM 0 H VAL A 68 -2.823 -8.605 6.590 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.448 -7.677 4.300 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.991 -10.446 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.066 -11.172 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.216 -10.620 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.168 -9.560 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.364 -10.221 6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.428 -8.562 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.729 -8.975 6.934 1.00 0.00 H new ATOM 1161 N GLU A 69 -4.344 -9.036 3.646 1.00 0.00 N ATOM 1162 CA GLU A 69 -5.306 -9.396 2.606 1.00 0.00 C ATOM 1163 C GLU A 69 -5.826 -8.138 1.905 1.00 0.00 C ATOM 1164 O GLU A 69 -6.032 -8.172 0.691 1.00 0.00 O ATOM 1165 CB GLU A 69 -6.465 -10.205 3.214 1.00 0.00 C ATOM 1166 CG GLU A 69 -6.088 -11.639 3.624 1.00 0.00 C ATOM 1167 CD GLU A 69 -5.083 -11.718 4.793 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -4.035 -12.391 4.643 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -5.343 -11.128 5.870 1.00 0.00 O ATOM 0 H GLU A 69 -4.753 -9.014 4.580 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.808 -10.018 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.842 -9.676 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.281 -10.248 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.995 -12.176 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.665 -12.153 2.761 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.938 -7.002 2.618 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.112 -5.699 1.978 1.00 0.00 C ATOM 1178 C LYS A 70 -4.862 -5.323 1.203 1.00 0.00 C ATOM 1179 O LYS A 70 -4.938 -5.020 0.015 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.402 -4.579 2.982 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.831 -4.555 3.530 1.00 0.00 C ATOM 1182 CD LYS A 70 -8.108 -3.120 4.001 1.00 0.00 C ATOM 1183 CE LYS A 70 -9.351 -2.979 4.881 1.00 0.00 C ATOM 1184 NZ LYS A 70 -10.612 -3.227 4.133 1.00 0.00 N ATOM 0 H LYS A 70 -5.910 -6.967 3.637 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.970 -5.799 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.710 -4.673 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.196 -3.621 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.544 -4.853 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.939 -5.259 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.242 -2.757 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.220 -2.478 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.283 -3.679 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.377 -1.977 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.423 -3.119 4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.694 -2.543 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.602 -4.193 3.747 1.00 0.00 H new ATOM 1198 N ALA A 71 -3.717 -5.367 1.880 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.443 -4.892 1.359 1.00 0.00 C ATOM 1200 C ALA A 71 -2.044 -5.601 0.045 1.00 0.00 C ATOM 1201 O ALA A 71 -1.620 -4.969 -0.922 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.404 -5.103 2.459 1.00 0.00 C ATOM 0 H ALA A 71 -3.650 -5.742 2.826 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.515 -3.836 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.430 -4.759 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.692 -4.538 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.347 -6.163 2.707 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.260 -6.917 -0.022 1.00 0.00 N ATOM 1209 CA LYS A 72 -1.967 -7.768 -1.175 1.00 0.00 C ATOM 1210 C LYS A 72 -2.958 -7.549 -2.312 1.00 0.00 C ATOM 1211 O LYS A 72 -2.584 -7.692 -3.476 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.965 -9.216 -0.660 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.575 -10.278 -1.691 1.00 0.00 C ATOM 1214 CD LYS A 72 -1.488 -11.666 -1.033 1.00 0.00 C ATOM 1215 CE LYS A 72 -0.261 -11.806 -0.119 1.00 0.00 C ATOM 1216 NZ LYS A 72 -0.158 -13.181 0.431 1.00 0.00 N ATOM 0 H LYS A 72 -2.660 -7.439 0.758 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.997 -7.520 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.278 -9.283 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.960 -9.450 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.309 -10.297 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.615 -10.022 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.393 -11.847 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.449 -12.431 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.643 -11.567 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.329 -11.088 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.679 -13.248 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.011 -13.398 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.070 -13.862 -0.350 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.191 -7.133 -2.001 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.185 -6.834 -3.029 1.00 0.00 C ATOM 1232 C ASN A 73 -4.714 -5.697 -3.960 1.00 0.00 C ATOM 1233 O ASN A 73 -4.789 -5.844 -5.181 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.576 -6.603 -2.392 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.179 -5.244 -2.700 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.827 -5.053 -3.716 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -6.923 -4.256 -1.876 1.00 0.00 N ATOM 0 H ASN A 73 -4.521 -6.997 -1.045 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.295 -7.701 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.257 -7.379 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.492 -6.715 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.267 -3.318 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.380 -4.426 -1.029 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.171 -4.608 -3.398 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.658 -3.449 -4.138 1.00 0.00 C ATOM 1246 C TYR A 74 -2.532 -3.857 -5.083 1.00 0.00 C ATOM 1247 O TYR A 74 -2.553 -3.498 -6.254 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.139 -2.379 -3.167 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.169 -1.885 -2.175 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -4.003 -2.190 -0.814 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.290 -1.146 -2.605 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.986 -1.810 0.119 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.273 -0.758 -1.674 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.140 -1.122 -0.318 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.141 -0.834 0.553 1.00 0.00 O ATOM 0 H TYR A 74 -4.074 -4.507 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.481 -3.041 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.289 -2.785 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.771 -1.530 -3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.120 -2.717 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.395 -0.878 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.858 -2.044 1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.127 -0.182 -1.998 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.856 -0.357 0.083 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.598 -4.677 -4.597 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.430 -5.147 -5.353 1.00 0.00 C ATOM 1267 C ILE A 75 -0.853 -6.022 -6.552 1.00 0.00 C ATOM 1268 O ILE A 75 -0.185 -6.001 -7.588 1.00 0.00 O ATOM 1269 CB ILE A 75 0.543 -5.856 -4.374 1.00 0.00 C ATOM 1270 CG1 ILE A 75 1.039 -4.851 -3.302 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.748 -6.470 -5.111 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.824 -5.470 -2.139 1.00 0.00 C ATOM 0 H ILE A 75 -1.631 -5.042 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 75 0.100 -4.303 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.003 -6.668 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.669 -4.107 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.176 -4.322 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.405 -6.957 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.396 -7.204 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.297 -5.684 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.126 -4.685 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.195 -6.192 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.710 -5.973 -2.525 1.00 0.00 H new ATOM 1284 N LYS A 76 -1.987 -6.734 -6.457 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.531 -7.614 -7.500 1.00 0.00 C ATOM 1286 C LYS A 76 -3.346 -6.871 -8.562 1.00 0.00 C ATOM 1287 O LYS A 76 -3.269 -7.265 -9.725 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.374 -8.724 -6.840 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.544 -9.890 -6.279 1.00 0.00 C ATOM 1290 CD LYS A 76 -2.176 -10.905 -7.377 1.00 0.00 C ATOM 1291 CE LYS A 76 -1.370 -12.077 -6.802 1.00 0.00 C ATOM 1292 NZ LYS A 76 -1.127 -13.131 -7.824 1.00 0.00 N ATOM 0 H LYS A 76 -2.571 -6.711 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.684 -8.050 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.961 -8.288 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.080 -9.114 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.634 -9.502 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.107 -10.392 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.084 -11.281 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.596 -10.409 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.416 -11.711 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.906 -12.507 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.580 -13.907 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.037 -13.497 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.594 -12.726 -8.620 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.117 -5.829 -8.209 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.914 -5.092 -9.194 1.00 0.00 C ATOM 1308 C ASN A 77 -4.171 -3.870 -9.733 1.00 0.00 C ATOM 1309 O ASN A 77 -4.178 -3.631 -10.943 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.305 -4.704 -8.675 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.396 -3.561 -7.679 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -6.654 -2.422 -8.028 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -6.242 -3.813 -6.407 1.00 0.00 N ATOM 0 H ASN A 77 -4.203 -5.482 -7.254 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.069 -5.784 -10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.924 -4.449 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.748 -5.586 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.338 -3.062 -5.723 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.026 -4.761 -6.097 1.00 0.00 H new ATOM 1597 N GLU A 95 7.067 -8.966 -29.482 1.00 0.00 N ATOM 1598 CA GLU A 95 8.263 -8.556 -30.241 1.00 0.00 C ATOM 1599 C GLU A 95 9.350 -9.647 -30.258 1.00 0.00 C ATOM 1600 O GLU A 95 9.673 -10.183 -31.318 1.00 0.00 O ATOM 1601 CB GLU A 95 8.837 -7.234 -29.700 1.00 0.00 C ATOM 1602 CG GLU A 95 7.848 -6.067 -29.790 1.00 0.00 C ATOM 1603 CD GLU A 95 8.528 -4.733 -29.423 1.00 0.00 C ATOM 1604 OE1 GLU A 95 8.761 -3.897 -30.331 1.00 0.00 O ATOM 1605 OE2 GLU A 95 8.836 -4.508 -28.227 1.00 0.00 O ATOM 0 HA GLU A 95 7.941 -8.402 -31.271 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.133 -7.372 -28.660 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.739 -6.982 -30.257 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.443 -6.006 -30.800 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.007 -6.246 -29.120 1.00 0.00 H new ATOM 1612 N GLU A 96 9.891 -10.001 -29.085 1.00 0.00 N ATOM 1613 CA GLU A 96 10.953 -11.007 -28.889 1.00 0.00 C ATOM 1614 C GLU A 96 12.243 -10.757 -29.701 1.00 0.00 C ATOM 1615 O GLU A 96 12.789 -11.664 -30.336 1.00 0.00 O ATOM 1616 CB GLU A 96 10.391 -12.441 -29.018 1.00 0.00 C ATOM 1617 CG GLU A 96 9.169 -12.739 -28.133 1.00 0.00 C ATOM 1618 CD GLU A 96 9.491 -12.616 -26.631 1.00 0.00 C ATOM 1619 OE1 GLU A 96 9.894 -13.631 -26.010 1.00 0.00 O ATOM 1620 OE2 GLU A 96 9.337 -11.508 -26.063 1.00 0.00 O ATOM 0 H GLU A 96 9.590 -9.578 -28.207 1.00 0.00 H new ATOM 0 HA GLU A 96 11.297 -10.890 -27.861 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.119 -12.617 -30.059 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.182 -13.149 -28.771 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.363 -12.051 -28.387 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.807 -13.745 -28.344 1.00 0.00 H new ATOM 1627 N VAL A 97 12.753 -9.516 -29.655 1.00 0.00 N ATOM 1628 CA VAL A 97 13.997 -9.086 -30.330 1.00 0.00 C ATOM 1629 C VAL A 97 14.915 -8.311 -29.374 1.00 0.00 C ATOM 1630 O VAL A 97 14.453 -7.433 -28.643 1.00 0.00 O ATOM 1631 CB VAL A 97 13.692 -8.234 -31.586 1.00 0.00 C ATOM 1632 CG1 VAL A 97 14.952 -7.957 -32.415 1.00 0.00 C ATOM 1633 CG2 VAL A 97 12.686 -8.912 -32.523 1.00 0.00 C ATOM 0 H VAL A 97 12.304 -8.762 -29.136 1.00 0.00 H new ATOM 0 HA VAL A 97 14.517 -9.990 -30.646 1.00 0.00 H new ATOM 0 HB VAL A 97 13.277 -7.304 -31.196 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.690 -7.356 -33.286 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.677 -7.416 -31.806 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.387 -8.901 -32.743 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.507 -8.273 -33.388 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.087 -9.869 -32.856 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.748 -9.076 -31.993 1.00 0.00 H new ATOM 1643 N SER A 98 16.220 -8.614 -29.398 1.00 0.00 N ATOM 1644 CA SER A 98 17.305 -7.862 -28.723 1.00 0.00 C ATOM 1645 C SER A 98 17.108 -7.596 -27.216 1.00 0.00 C ATOM 1646 O SER A 98 17.553 -6.572 -26.690 1.00 0.00 O ATOM 1647 CB SER A 98 17.656 -6.583 -29.502 1.00 0.00 C ATOM 1648 OG SER A 98 18.068 -6.897 -30.825 1.00 0.00 O ATOM 0 H SER A 98 16.571 -9.424 -29.909 1.00 0.00 H new ATOM 0 HA SER A 98 18.161 -8.536 -28.743 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.790 -5.921 -29.533 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.451 -6.044 -28.987 1.00 0.00 H new ATOM 0 HG SER A 98 18.285 -6.071 -31.305 1.00 0.00 H new ATOM 1654 N SER A 99 16.438 -8.512 -26.507 1.00 0.00 N ATOM 1655 CA SER A 99 16.186 -8.421 -25.055 1.00 0.00 C ATOM 1656 C SER A 99 16.101 -9.799 -24.383 1.00 0.00 C ATOM 1657 O SER A 99 16.758 -10.038 -23.367 1.00 0.00 O ATOM 1658 CB SER A 99 14.893 -7.626 -24.819 1.00 0.00 C ATOM 1659 OG SER A 99 14.667 -7.431 -23.433 1.00 0.00 O ATOM 0 H SER A 99 16.047 -9.354 -26.929 1.00 0.00 H new ATOM 0 HA SER A 99 17.032 -7.907 -24.598 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.958 -6.661 -25.321 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.049 -8.157 -25.258 1.00 0.00 H new ATOM 0 HG SER A 99 13.840 -6.921 -23.305 1.00 0.00 H new ATOM 1665 N MET A 100 15.350 -10.733 -24.983 1.00 0.00 N ATOM 1666 CA MET A 100 15.150 -12.110 -24.497 1.00 0.00 C ATOM 1667 C MET A 100 15.475 -13.139 -25.594 1.00 0.00 C ATOM 1668 O MET A 100 14.678 -14.018 -25.926 1.00 0.00 O ATOM 1669 CB MET A 100 13.735 -12.269 -23.914 1.00 0.00 C ATOM 1670 CG MET A 100 13.504 -11.361 -22.699 1.00 0.00 C ATOM 1671 SD MET A 100 11.913 -11.617 -21.866 1.00 0.00 S ATOM 1672 CE MET A 100 12.071 -10.381 -20.547 1.00 0.00 C ATOM 0 H MET A 100 14.847 -10.546 -25.850 1.00 0.00 H new ATOM 0 HA MET A 100 15.850 -12.308 -23.686 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.999 -12.038 -24.684 1.00 0.00 H new ATOM 0 HB3 MET A 100 13.578 -13.308 -23.624 1.00 0.00 H new ATOM 0 HG2 MET A 100 14.307 -11.524 -21.980 1.00 0.00 H new ATOM 0 HG3 MET A 100 13.570 -10.321 -23.020 1.00 0.00 H new ATOM 0 HE1 MET A 100 11.175 -10.394 -19.927 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.941 -10.613 -19.933 1.00 0.00 H new ATOM 0 HE3 MET A 100 12.192 -9.392 -20.988 1.00 0.00 H new ATOM 1682 N GLU A 101 16.664 -13.010 -26.186 1.00 0.00 N ATOM 1683 CA GLU A 101 17.182 -13.854 -27.281 1.00 0.00 C ATOM 1684 C GLU A 101 17.700 -15.226 -26.778 1.00 0.00 C ATOM 1685 O GLU A 101 18.837 -15.626 -27.049 1.00 0.00 O ATOM 1686 CB GLU A 101 18.248 -13.084 -28.085 1.00 0.00 C ATOM 1687 CG GLU A 101 17.725 -11.780 -28.700 1.00 0.00 C ATOM 1688 CD GLU A 101 18.760 -11.187 -29.675 1.00 0.00 C ATOM 1689 OE1 GLU A 101 18.515 -11.207 -30.906 1.00 0.00 O ATOM 1690 OE2 GLU A 101 19.817 -10.689 -29.218 1.00 0.00 O ATOM 0 H GLU A 101 17.326 -12.285 -25.908 1.00 0.00 H new ATOM 0 HA GLU A 101 16.353 -14.083 -27.950 1.00 0.00 H new ATOM 0 HB2 GLU A 101 19.090 -12.856 -27.432 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.626 -13.726 -28.881 1.00 0.00 H new ATOM 0 HG2 GLU A 101 16.789 -11.969 -29.226 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.507 -11.061 -27.910 1.00 0.00 H new ATOM 1697 N ALA A 102 16.879 -15.935 -25.996 1.00 0.00 N ATOM 1698 CA ALA A 102 17.217 -17.179 -25.294 1.00 0.00 C ATOM 1699 C ALA A 102 16.114 -18.254 -25.409 1.00 0.00 C ATOM 1700 O ALA A 102 14.973 -17.965 -25.788 1.00 0.00 O ATOM 1701 CB ALA A 102 17.506 -16.833 -23.825 1.00 0.00 C ATOM 0 H ALA A 102 15.916 -15.644 -25.827 1.00 0.00 H new ATOM 0 HA ALA A 102 18.098 -17.618 -25.764 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.760 -17.742 -23.280 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.340 -16.134 -23.773 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.622 -16.377 -23.378 1.00 0.00 H new ATOM 1707 N LYS A 103 16.460 -19.498 -25.050 1.00 0.00 N ATOM 1708 CA LYS A 103 15.560 -20.667 -25.002 1.00 0.00 C ATOM 1709 C LYS A 103 15.822 -21.564 -23.782 1.00 0.00 C ATOM 1710 O LYS A 103 16.845 -21.430 -23.106 1.00 0.00 O ATOM 1711 CB LYS A 103 15.642 -21.449 -26.328 1.00 0.00 C ATOM 1712 CG LYS A 103 16.994 -22.139 -26.570 1.00 0.00 C ATOM 1713 CD LYS A 103 16.936 -22.966 -27.858 1.00 0.00 C ATOM 1714 CE LYS A 103 18.269 -23.688 -28.089 1.00 0.00 C ATOM 1715 NZ LYS A 103 18.229 -24.536 -29.309 1.00 0.00 N ATOM 0 H LYS A 103 17.414 -19.731 -24.773 1.00 0.00 H new ATOM 0 HA LYS A 103 14.540 -20.301 -24.881 1.00 0.00 H new ATOM 0 HB2 LYS A 103 14.855 -22.203 -26.342 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.443 -20.765 -27.153 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.785 -21.392 -26.643 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.240 -22.783 -25.725 1.00 0.00 H new ATOM 0 HD2 LYS A 103 16.127 -23.694 -27.795 1.00 0.00 H new ATOM 0 HD3 LYS A 103 16.715 -22.317 -28.705 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.069 -22.954 -28.182 1.00 0.00 H new ATOM 0 HE3 LYS A 103 18.503 -24.307 -27.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.147 -25.009 -29.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 17.481 -25.252 -29.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.031 -23.941 -30.139 1.00 0.00 H new