USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 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 67 THR OG1 : rot 180:sc= -0.711 USER MOD Set 1.2: A 89 TYR OH : rot -130:sc= -5.6! USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 THR OG1 : rot 24:sc= -5.87! USER MOD Single : A 4 ASN : amide:sc= -5.49! C(o=-5.5!,f=-9.5!) USER MOD Single : A 7 THR OG1 : rot 54:sc= 0.0957 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc=-0.00497 X(o=-0.005,f=-0.39) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 92:sc= 1.04 USER MOD Single : A 24 THR OG1 : rot -61:sc= -0.424 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -3.35 K(o=-3.3,f=-4.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 65 THR OG1 : rot 86:sc= -4.98! USER MOD Single : A 69 LYS NZ :NH3+ 125:sc= -0.406 (180deg=-1.82!) USER MOD Single : A 70 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-5.2!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 76 MET CE :methyl 152:sc= -0.213 (180deg=-1.2) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.511! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.74!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -9.175 8.425 7.376 1.00 0.00 N ATOM 50 CA ASN A 4 -8.591 7.703 6.259 1.00 0.00 C ATOM 51 C ASN A 4 -8.919 6.214 6.390 1.00 0.00 C ATOM 52 O ASN A 4 -9.367 5.765 7.444 1.00 0.00 O ATOM 53 CB ASN A 4 -7.068 7.852 6.243 1.00 0.00 C ATOM 54 CG ASN A 4 -6.465 7.184 5.005 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.735 6.210 5.087 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.809 7.761 3.858 1.00 0.00 N ATOM 0 HA ASN A 4 -9.004 8.116 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.802 8.909 6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.646 7.406 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.458 7.390 2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.424 8.574 3.861 1.00 0.00 H new ATOM 63 N ASP A 5 -8.684 5.491 5.306 1.00 0.00 N ATOM 64 CA ASP A 5 -8.949 4.062 5.287 1.00 0.00 C ATOM 65 C ASP A 5 -7.622 3.302 5.297 1.00 0.00 C ATOM 66 O ASP A 5 -7.487 2.290 5.985 1.00 0.00 O ATOM 67 CB ASP A 5 -9.714 3.661 4.024 1.00 0.00 C ATOM 68 CG ASP A 5 -11.005 4.444 3.774 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.393 4.683 2.621 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.630 4.819 4.838 1.00 0.00 O ATOM 0 H ASP A 5 -8.313 5.867 4.434 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.548 3.818 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.057 3.788 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.956 2.600 4.086 1.00 0.00 H new ATOM 76 N ILE A 6 -6.675 3.817 4.528 1.00 0.00 N ATOM 77 CA ILE A 6 -5.363 3.199 4.440 1.00 0.00 C ATOM 78 C ILE A 6 -4.378 4.189 3.814 1.00 0.00 C ATOM 79 O ILE A 6 -4.724 4.905 2.877 1.00 0.00 O ATOM 80 CB ILE A 6 -5.448 1.864 3.697 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.053 1.337 3.353 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.337 1.982 2.457 1.00 0.00 C ATOM 83 CD1 ILE A 6 -3.895 -0.121 3.790 1.00 0.00 C ATOM 0 H ILE A 6 -6.790 4.656 3.960 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.987 2.961 5.435 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.914 1.134 4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.884 1.419 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.297 1.951 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.380 1.019 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.342 2.279 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.923 2.731 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.895 -0.471 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.041 -0.196 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.636 -0.736 3.280 1.00 0.00 H new ATOM 95 N THR A 7 -3.170 4.196 4.358 1.00 0.00 N ATOM 96 CA THR A 7 -2.133 5.086 3.866 1.00 0.00 C ATOM 97 C THR A 7 -1.146 4.319 2.983 1.00 0.00 C ATOM 98 O THR A 7 -1.068 3.093 3.054 1.00 0.00 O ATOM 99 CB THR A 7 -1.473 5.758 5.072 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.517 4.762 6.090 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.314 6.905 5.636 1.00 0.00 C ATOM 0 H THR A 7 -2.886 3.599 5.135 1.00 0.00 H new ATOM 0 HA THR A 7 -2.552 5.866 3.230 1.00 0.00 H new ATOM 0 HB THR A 7 -0.491 6.135 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.108 3.936 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.800 7.347 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.458 7.663 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.284 6.523 5.954 1.00 0.00 H new ATOM 109 N PHE A 8 -0.418 5.072 2.172 1.00 0.00 N ATOM 110 CA PHE A 8 0.560 4.478 1.276 1.00 0.00 C ATOM 111 C PHE A 8 1.784 5.383 1.124 1.00 0.00 C ATOM 112 O PHE A 8 1.665 6.526 0.686 1.00 0.00 O ATOM 113 CB PHE A 8 -0.118 4.322 -0.086 1.00 0.00 C ATOM 114 CG PHE A 8 -1.460 3.589 -0.034 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.563 4.224 0.443 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.549 2.302 -0.465 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.809 3.544 0.492 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.794 1.622 -0.417 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.898 2.257 0.060 1.00 0.00 C ATOM 0 H PHE A 8 -0.486 6.088 2.116 1.00 0.00 H new ATOM 0 HA PHE A 8 0.897 3.521 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.272 5.310 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.553 3.783 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.492 5.246 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.672 1.798 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.685 4.048 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.865 0.600 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.845 1.740 0.096 1.00 0.00 H new ATOM 129 N PHE A 9 2.934 4.836 1.493 1.00 0.00 N ATOM 130 CA PHE A 9 4.179 5.580 1.402 1.00 0.00 C ATOM 131 C PHE A 9 4.238 6.394 0.109 1.00 0.00 C ATOM 132 O PHE A 9 3.532 6.092 -0.852 1.00 0.00 O ATOM 133 CB PHE A 9 5.313 4.553 1.397 1.00 0.00 C ATOM 134 CG PHE A 9 6.710 5.169 1.501 1.00 0.00 C ATOM 135 CD1 PHE A 9 6.911 6.275 2.266 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.751 4.611 0.827 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.207 6.847 2.362 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.047 5.183 0.922 1.00 0.00 C ATOM 139 CZ PHE A 9 9.248 6.288 1.688 1.00 0.00 C ATOM 0 H PHE A 9 3.029 3.887 1.855 1.00 0.00 H new ATOM 0 HA PHE A 9 4.261 6.273 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.168 3.863 2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.253 3.965 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.084 6.719 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.592 3.732 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.366 7.725 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.873 4.740 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.234 6.722 1.761 1.00 0.00 H new ATOM 149 N GLN A 10 5.087 7.411 0.126 1.00 0.00 N ATOM 150 CA GLN A 10 5.248 8.271 -1.034 1.00 0.00 C ATOM 151 C GLN A 10 5.470 7.430 -2.293 1.00 0.00 C ATOM 152 O GLN A 10 4.748 7.578 -3.278 1.00 0.00 O ATOM 153 CB GLN A 10 6.397 9.261 -0.828 1.00 0.00 C ATOM 154 CG GLN A 10 6.458 10.276 -1.971 1.00 0.00 C ATOM 155 CD GLN A 10 7.889 10.431 -2.490 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.617 11.336 -2.117 1.00 0.00 O ATOM 157 NE2 GLN A 10 8.248 9.501 -3.370 1.00 0.00 N ATOM 0 H GLN A 10 5.671 7.659 0.925 1.00 0.00 H new ATOM 0 HA GLN A 10 4.332 8.848 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.266 9.783 0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.341 8.720 -0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.806 9.955 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.086 11.241 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.588 8.771 -3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.183 9.518 -3.777 1.00 0.00 H new ATOM 166 N ARG A 11 6.471 6.565 -2.219 1.00 0.00 N ATOM 167 CA ARG A 11 6.796 5.699 -3.340 1.00 0.00 C ATOM 168 C ARG A 11 5.545 4.963 -3.822 1.00 0.00 C ATOM 169 O ARG A 11 5.255 4.942 -5.018 1.00 0.00 O ATOM 170 CB ARG A 11 7.865 4.675 -2.953 1.00 0.00 C ATOM 171 CG ARG A 11 9.089 5.363 -2.344 1.00 0.00 C ATOM 172 CD ARG A 11 10.281 4.407 -2.283 1.00 0.00 C ATOM 173 NE ARG A 11 10.987 4.395 -3.584 1.00 0.00 N ATOM 174 CZ ARG A 11 10.727 3.518 -4.578 1.00 0.00 C ATOM 175 NH1 ARG A 11 9.774 2.575 -4.427 1.00 0.00 N ATOM 176 NH2 ARG A 11 11.419 3.598 -5.699 1.00 0.00 N ATOM 0 H ARG A 11 7.068 6.445 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 11 7.184 6.327 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.450 3.964 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.164 4.106 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.351 6.239 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.850 5.717 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.965 4.715 -1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.939 3.402 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 11 11.715 5.092 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.244 2.521 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.584 1.917 -5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.137 4.314 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.235 2.944 -6.460 1.00 0.00 H new ATOM 189 N PHE A 12 4.837 4.376 -2.868 1.00 0.00 N ATOM 190 CA PHE A 12 3.624 3.641 -3.181 1.00 0.00 C ATOM 191 C PHE A 12 2.554 4.568 -3.761 1.00 0.00 C ATOM 192 O PHE A 12 1.769 4.159 -4.614 1.00 0.00 O ATOM 193 CB PHE A 12 3.110 3.047 -1.868 1.00 0.00 C ATOM 194 CG PHE A 12 3.610 1.629 -1.588 1.00 0.00 C ATOM 195 CD1 PHE A 12 4.885 1.430 -1.158 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.780 0.567 -1.768 1.00 0.00 C ATOM 197 CE1 PHE A 12 5.350 0.113 -0.899 1.00 0.00 C ATOM 198 CE2 PHE A 12 3.245 -0.750 -1.508 1.00 0.00 C ATOM 199 CZ PHE A 12 4.520 -0.949 -1.079 1.00 0.00 C ATOM 0 H PHE A 12 5.081 4.395 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 12 3.837 2.870 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.410 3.696 -1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.020 3.040 -1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.544 2.273 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.767 0.725 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.363 -0.045 -0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.586 -1.593 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.873 -1.950 -0.881 1.00 0.00 H new ATOM 209 N GLN A 13 2.558 5.800 -3.274 1.00 0.00 N ATOM 210 CA GLN A 13 1.598 6.789 -3.734 1.00 0.00 C ATOM 211 C GLN A 13 1.865 7.149 -5.197 1.00 0.00 C ATOM 212 O GLN A 13 0.941 7.190 -6.008 1.00 0.00 O ATOM 213 CB GLN A 13 1.629 8.037 -2.848 1.00 0.00 C ATOM 214 CG GLN A 13 0.336 8.169 -2.042 1.00 0.00 C ATOM 215 CD GLN A 13 -0.511 9.338 -2.551 1.00 0.00 C ATOM 216 OE1 GLN A 13 -0.728 10.325 -1.868 1.00 0.00 O ATOM 217 NE2 GLN A 13 -0.975 9.171 -3.786 1.00 0.00 N ATOM 0 H GLN A 13 3.211 6.136 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 13 0.600 6.357 -3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.481 7.985 -2.170 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.768 8.923 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.236 7.244 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.574 8.319 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.755 8.319 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.551 9.895 -4.217 1.00 0.00 H new ATOM 226 N ASP A 14 3.132 7.399 -5.490 1.00 0.00 N ATOM 227 CA ASP A 14 3.532 7.754 -6.841 1.00 0.00 C ATOM 228 C ASP A 14 3.130 6.630 -7.798 1.00 0.00 C ATOM 229 O ASP A 14 2.514 6.883 -8.833 1.00 0.00 O ATOM 230 CB ASP A 14 5.049 7.935 -6.937 1.00 0.00 C ATOM 231 CG ASP A 14 5.619 7.875 -8.355 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.036 8.424 -9.302 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.725 7.221 -8.471 1.00 0.00 O ATOM 0 H ASP A 14 3.896 7.363 -4.815 1.00 0.00 H new ATOM 0 HA ASP A 14 3.039 8.690 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.314 8.896 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.531 7.164 -6.335 1.00 0.00 H new ATOM 239 N ASP A 15 3.494 5.414 -7.420 1.00 0.00 N ATOM 240 CA ASP A 15 3.178 4.252 -8.232 1.00 0.00 C ATOM 241 C ASP A 15 1.672 4.214 -8.498 1.00 0.00 C ATOM 242 O ASP A 15 1.243 4.053 -9.640 1.00 0.00 O ATOM 243 CB ASP A 15 3.563 2.957 -7.514 1.00 0.00 C ATOM 244 CG ASP A 15 4.660 2.139 -8.199 1.00 0.00 C ATOM 245 OD1 ASP A 15 5.793 2.610 -8.373 1.00 0.00 O ATOM 246 OD2 ASP A 15 4.307 0.954 -8.567 1.00 0.00 O ATOM 0 H ASP A 15 4.005 5.208 -6.562 1.00 0.00 H new ATOM 0 HA ASP A 15 3.739 4.330 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.891 3.203 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.673 2.335 -7.417 1.00 0.00 H new ATOM 252 N ILE A 16 0.910 4.367 -7.425 1.00 0.00 N ATOM 253 CA ILE A 16 -0.540 4.353 -7.528 1.00 0.00 C ATOM 254 C ILE A 16 -0.989 5.461 -8.482 1.00 0.00 C ATOM 255 O ILE A 16 -1.880 5.253 -9.305 1.00 0.00 O ATOM 256 CB ILE A 16 -1.176 4.441 -6.140 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.819 3.217 -5.294 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.689 4.645 -6.242 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.967 3.519 -3.801 1.00 0.00 C ATOM 0 H ILE A 16 1.269 4.501 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.883 3.409 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.766 5.314 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.465 2.382 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.205 2.910 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.116 4.704 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.896 5.570 -6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.134 3.806 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.707 2.632 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.302 4.338 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.998 3.802 -3.587 1.00 0.00 H new ATOM 271 N LEU A 17 -0.353 6.615 -8.341 1.00 0.00 N ATOM 272 CA LEU A 17 -0.676 7.756 -9.180 1.00 0.00 C ATOM 273 C LEU A 17 -0.474 7.377 -10.648 1.00 0.00 C ATOM 274 O LEU A 17 -1.073 7.980 -11.537 1.00 0.00 O ATOM 275 CB LEU A 17 0.125 8.985 -8.745 1.00 0.00 C ATOM 276 CG LEU A 17 1.127 9.528 -9.766 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.446 10.483 -10.748 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.322 10.179 -9.068 1.00 0.00 C ATOM 0 H LEU A 17 0.385 6.784 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.724 8.031 -9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.576 9.781 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.665 8.737 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 17 1.511 8.690 -10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.180 10.855 -11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.344 9.954 -11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.016 11.322 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.019 10.557 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.975 11.004 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.825 9.441 -8.443 1.00 0.00 H new ATOM 290 N ALA A 18 0.374 6.381 -10.858 1.00 0.00 N ATOM 291 CA ALA A 18 0.663 5.915 -12.203 1.00 0.00 C ATOM 292 C ALA A 18 -0.516 5.086 -12.716 1.00 0.00 C ATOM 293 O ALA A 18 -0.505 4.621 -13.855 1.00 0.00 O ATOM 294 CB ALA A 18 1.973 5.124 -12.200 1.00 0.00 C ATOM 0 H ALA A 18 0.870 5.884 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 18 0.793 6.759 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.189 4.775 -13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.785 5.765 -11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.880 4.268 -11.532 1.00 0.00 H new ATOM 300 N GLY A 19 -1.507 4.926 -11.850 1.00 0.00 N ATOM 301 CA GLY A 19 -2.691 4.161 -12.201 1.00 0.00 C ATOM 302 C GLY A 19 -2.319 2.742 -12.636 1.00 0.00 C ATOM 303 O GLY A 19 -2.915 2.196 -13.563 1.00 0.00 O ATOM 0 H GLY A 19 -1.514 5.313 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.367 4.118 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.227 4.663 -13.006 1.00 0.00 H new ATOM 307 N ARG A 20 -1.335 2.185 -11.946 1.00 0.00 N ATOM 308 CA ARG A 20 -0.876 0.840 -12.249 1.00 0.00 C ATOM 309 C ARG A 20 -1.421 -0.152 -11.220 1.00 0.00 C ATOM 310 O ARG A 20 -0.899 -0.250 -10.110 1.00 0.00 O ATOM 311 CB ARG A 20 0.653 0.768 -12.257 1.00 0.00 C ATOM 312 CG ARG A 20 1.196 0.803 -13.687 1.00 0.00 C ATOM 313 CD ARG A 20 2.725 0.753 -13.694 1.00 0.00 C ATOM 314 NE ARG A 20 3.191 -0.381 -14.523 1.00 0.00 N ATOM 315 CZ ARG A 20 3.342 -0.327 -15.863 1.00 0.00 C ATOM 316 NH1 ARG A 20 3.065 0.808 -16.539 1.00 0.00 N ATOM 317 NH2 ARG A 20 3.764 -1.402 -16.503 1.00 0.00 N ATOM 0 H ARG A 20 -0.843 2.641 -11.178 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.246 0.580 -13.241 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.063 1.602 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.980 -0.146 -11.762 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.798 -0.040 -14.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.856 1.710 -14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.126 1.688 -14.085 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.098 0.647 -12.675 1.00 0.00 H new ATOM 0 HE ARG A 20 3.412 -1.258 -14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.739 1.634 -16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.182 0.840 -17.552 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.970 -2.256 -15.985 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.884 -1.379 -17.516 1.00 0.00 H new ATOM 330 N LYS A 21 -2.464 -0.862 -11.624 1.00 0.00 N ATOM 331 CA LYS A 21 -3.085 -1.843 -10.750 1.00 0.00 C ATOM 332 C LYS A 21 -2.004 -2.536 -9.919 1.00 0.00 C ATOM 333 O LYS A 21 -1.274 -3.385 -10.428 1.00 0.00 O ATOM 334 CB LYS A 21 -3.953 -2.808 -11.560 1.00 0.00 C ATOM 335 CG LYS A 21 -4.952 -2.047 -12.434 1.00 0.00 C ATOM 336 CD LYS A 21 -4.780 -2.414 -13.909 1.00 0.00 C ATOM 337 CE LYS A 21 -6.066 -3.019 -14.477 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.763 -4.234 -15.265 1.00 0.00 N ATOM 0 H LYS A 21 -2.895 -0.778 -12.545 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.762 -1.355 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.318 -3.434 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.489 -3.474 -10.884 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.969 -2.276 -12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.811 -0.974 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.509 -1.526 -14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.961 -3.125 -14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.748 -3.267 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.572 -2.287 -15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.646 -4.632 -15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.129 -3.988 -16.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.300 -4.937 -14.654 1.00 0.00 H new ATOM 351 N THR A 22 -1.937 -2.149 -8.653 1.00 0.00 N ATOM 352 CA THR A 22 -0.957 -2.723 -7.747 1.00 0.00 C ATOM 353 C THR A 22 -1.650 -3.311 -6.516 1.00 0.00 C ATOM 354 O THR A 22 -2.752 -2.895 -6.161 1.00 0.00 O ATOM 355 CB THR A 22 0.067 -1.638 -7.408 1.00 0.00 C ATOM 356 OG1 THR A 22 0.680 -1.337 -8.658 1.00 0.00 O ATOM 357 CG2 THR A 22 1.216 -2.166 -6.546 1.00 0.00 C ATOM 0 H THR A 22 -2.545 -1.445 -8.234 1.00 0.00 H new ATOM 0 HA THR A 22 -0.428 -3.555 -8.212 1.00 0.00 H new ATOM 0 HB THR A 22 -0.430 -0.819 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.205 -0.594 -9.085 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.914 -1.356 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.818 -2.556 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.735 -2.962 -7.080 1.00 0.00 H new ATOM 365 N ILE A 23 -0.976 -4.269 -5.897 1.00 0.00 N ATOM 366 CA ILE A 23 -1.513 -4.917 -4.713 1.00 0.00 C ATOM 367 C ILE A 23 -0.866 -4.310 -3.466 1.00 0.00 C ATOM 368 O ILE A 23 0.244 -3.785 -3.532 1.00 0.00 O ATOM 369 CB ILE A 23 -1.349 -6.435 -4.813 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.716 -6.832 -6.148 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.682 -7.148 -4.576 1.00 0.00 C ATOM 372 CD1 ILE A 23 -0.845 -8.337 -6.390 1.00 0.00 C ATOM 0 H ILE A 23 -0.062 -4.612 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.586 -4.739 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.668 -6.757 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.198 -6.287 -6.959 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.336 -6.548 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.537 -8.226 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.054 -6.902 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.405 -6.825 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.387 -8.592 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.341 -8.879 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.899 -8.614 -6.407 1.00 0.00 H new ATOM 384 N THR A 24 -1.589 -4.401 -2.360 1.00 0.00 N ATOM 385 CA THR A 24 -1.100 -3.867 -1.100 1.00 0.00 C ATOM 386 C THR A 24 -1.406 -4.835 0.045 1.00 0.00 C ATOM 387 O THR A 24 -2.082 -5.844 -0.154 1.00 0.00 O ATOM 388 CB THR A 24 -1.715 -2.480 -0.904 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.118 -2.725 -0.863 1.00 0.00 O ATOM 390 CG2 THR A 24 -1.530 -1.579 -2.127 1.00 0.00 C ATOM 0 H THR A 24 -2.510 -4.837 -2.310 1.00 0.00 H new ATOM 0 HA THR A 24 -0.015 -3.759 -1.111 1.00 0.00 H new ATOM 0 HB THR A 24 -1.267 -2.004 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.405 -3.126 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.985 -0.607 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.466 -1.449 -2.326 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.007 -2.038 -2.993 1.00 0.00 H new ATOM 398 N ILE A 25 -0.895 -4.494 1.218 1.00 0.00 N ATOM 399 CA ILE A 25 -1.105 -5.320 2.395 1.00 0.00 C ATOM 400 C ILE A 25 -1.728 -4.471 3.504 1.00 0.00 C ATOM 401 O ILE A 25 -1.367 -3.308 3.678 1.00 0.00 O ATOM 402 CB ILE A 25 0.198 -6.009 2.806 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.897 -6.629 1.594 1.00 0.00 C ATOM 404 CG2 ILE A 25 -0.051 -7.037 3.912 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.840 -5.623 0.932 1.00 0.00 C ATOM 0 H ILE A 25 -0.336 -3.656 1.379 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.808 -6.124 2.176 1.00 0.00 H new ATOM 0 HB ILE A 25 0.870 -5.254 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.459 -7.510 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.152 -6.964 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.891 -7.512 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.473 -6.538 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.749 -7.794 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.324 -6.089 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.271 -4.754 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.598 -5.308 1.649 1.00 0.00 H new ATOM 417 N ARG A 26 -2.654 -5.085 4.227 1.00 0.00 N ATOM 418 CA ARG A 26 -3.331 -4.400 5.315 1.00 0.00 C ATOM 419 C ARG A 26 -3.417 -5.308 6.543 1.00 0.00 C ATOM 420 O ARG A 26 -3.091 -6.492 6.467 1.00 0.00 O ATOM 421 CB ARG A 26 -4.742 -3.974 4.904 1.00 0.00 C ATOM 422 CG ARG A 26 -5.100 -4.524 3.522 1.00 0.00 C ATOM 423 CD ARG A 26 -4.409 -3.723 2.417 1.00 0.00 C ATOM 424 NE ARG A 26 -5.386 -2.838 1.746 1.00 0.00 N ATOM 425 CZ ARG A 26 -5.070 -1.655 1.178 1.00 0.00 C ATOM 426 NH1 ARG A 26 -3.798 -1.204 1.195 1.00 0.00 N ATOM 427 NH2 ARG A 26 -6.024 -0.945 0.605 1.00 0.00 N ATOM 0 H ARG A 26 -2.951 -6.050 4.080 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.751 -3.510 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.462 -4.332 5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.809 -2.886 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.805 -5.571 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.180 -4.488 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.599 -3.129 2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.962 -4.401 1.690 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.359 -3.141 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.066 -1.758 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.568 -0.309 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.983 -1.292 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.802 -0.049 0.171 1.00 0.00 H new ATOM 440 N ASP A 27 -3.857 -4.720 7.645 1.00 0.00 N ATOM 441 CA ASP A 27 -3.990 -5.462 8.887 1.00 0.00 C ATOM 442 C ASP A 27 -5.454 -5.858 9.086 1.00 0.00 C ATOM 443 O ASP A 27 -6.349 -5.025 8.957 1.00 0.00 O ATOM 444 CB ASP A 27 -3.564 -4.610 10.085 1.00 0.00 C ATOM 445 CG ASP A 27 -3.925 -5.193 11.453 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.499 -6.288 11.550 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.589 -4.463 12.462 1.00 0.00 O ATOM 0 H ASP A 27 -4.126 -3.738 7.704 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.351 -6.342 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.485 -4.464 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.023 -3.626 9.993 1.00 0.00 H new ATOM 453 N GLU A 28 -5.652 -7.131 9.395 1.00 0.00 N ATOM 454 CA GLU A 28 -6.993 -7.648 9.612 1.00 0.00 C ATOM 455 C GLU A 28 -7.721 -6.811 10.665 1.00 0.00 C ATOM 456 O GLU A 28 -8.891 -6.472 10.495 1.00 0.00 O ATOM 457 CB GLU A 28 -6.952 -9.123 10.016 1.00 0.00 C ATOM 458 CG GLU A 28 -8.273 -9.552 10.658 1.00 0.00 C ATOM 459 CD GLU A 28 -9.428 -9.445 9.660 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.797 -8.332 9.256 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.947 -10.571 9.303 1.00 0.00 O ATOM 0 H GLU A 28 -4.907 -7.820 9.500 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.545 -7.577 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.753 -9.739 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.133 -9.290 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.191 -10.578 11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.479 -8.927 11.527 1.00 0.00 H new ATOM 469 N SER A 29 -6.998 -6.501 11.732 1.00 0.00 N ATOM 470 CA SER A 29 -7.560 -5.709 12.813 1.00 0.00 C ATOM 471 C SER A 29 -8.000 -4.342 12.286 1.00 0.00 C ATOM 472 O SER A 29 -8.796 -3.654 12.924 1.00 0.00 O ATOM 473 CB SER A 29 -6.554 -5.540 13.953 1.00 0.00 C ATOM 474 OG SER A 29 -6.804 -4.362 14.715 1.00 0.00 O ATOM 0 H SER A 29 -6.028 -6.784 11.871 1.00 0.00 H new ATOM 0 HA SER A 29 -8.429 -6.236 13.207 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.597 -6.411 14.607 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.545 -5.499 13.543 1.00 0.00 H new ATOM 0 HG SER A 29 -6.142 -4.291 15.434 1.00 0.00 H new ATOM 480 N GLU A 30 -7.464 -3.989 11.127 1.00 0.00 N ATOM 481 CA GLU A 30 -7.792 -2.716 10.507 1.00 0.00 C ATOM 482 C GLU A 30 -8.412 -2.942 9.127 1.00 0.00 C ATOM 483 O GLU A 30 -8.481 -2.021 8.315 1.00 0.00 O ATOM 484 CB GLU A 30 -6.557 -1.818 10.413 1.00 0.00 C ATOM 485 CG GLU A 30 -6.405 -0.961 11.671 1.00 0.00 C ATOM 486 CD GLU A 30 -5.230 0.010 11.534 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.084 -0.359 11.827 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.542 1.186 11.105 1.00 0.00 O ATOM 0 H GLU A 30 -6.805 -4.562 10.601 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.524 -2.207 11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.666 -2.432 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.637 -1.174 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.324 -0.403 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.251 -1.604 12.537 1.00 0.00 H new ATOM 496 N SER A 31 -8.849 -4.173 8.904 1.00 0.00 N ATOM 497 CA SER A 31 -9.461 -4.532 7.636 1.00 0.00 C ATOM 498 C SER A 31 -10.317 -3.372 7.122 1.00 0.00 C ATOM 499 O SER A 31 -10.780 -2.544 7.904 1.00 0.00 O ATOM 500 CB SER A 31 -10.309 -5.798 7.773 1.00 0.00 C ATOM 501 OG SER A 31 -11.653 -5.588 7.348 1.00 0.00 O ATOM 0 H SER A 31 -8.791 -4.934 9.580 1.00 0.00 H new ATOM 0 HA SER A 31 -8.667 -4.736 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.863 -6.599 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.304 -6.127 8.812 1.00 0.00 H new ATOM 0 HG SER A 31 -12.162 -6.419 7.449 1.00 0.00 H new ATOM 507 N HIS A 32 -10.501 -3.351 5.810 1.00 0.00 N ATOM 508 CA HIS A 32 -11.293 -2.307 5.183 1.00 0.00 C ATOM 509 C HIS A 32 -12.738 -2.783 5.026 1.00 0.00 C ATOM 510 O HIS A 32 -13.265 -3.476 5.895 1.00 0.00 O ATOM 511 CB HIS A 32 -10.665 -1.871 3.857 1.00 0.00 C ATOM 512 CG HIS A 32 -10.647 -2.951 2.802 1.00 0.00 C ATOM 513 ND1 HIS A 32 -11.410 -2.886 1.649 1.00 0.00 N ATOM 514 CD2 HIS A 32 -9.950 -4.122 2.736 1.00 0.00 C ATOM 515 CE1 HIS A 32 -11.176 -3.974 0.930 1.00 0.00 C ATOM 516 NE2 HIS A 32 -10.271 -4.739 1.606 1.00 0.00 N ATOM 0 H HIS A 32 -10.115 -4.040 5.164 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.306 -1.423 5.821 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.213 -1.011 3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.643 -1.541 4.042 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -12.045 -2.129 1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.255 -4.485 3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.623 -4.213 -0.024 1.00 0.00 H new ATOM 524 N PHE A 33 -13.338 -2.393 3.911 1.00 0.00 N ATOM 525 CA PHE A 33 -14.713 -2.772 3.629 1.00 0.00 C ATOM 526 C PHE A 33 -14.768 -4.043 2.780 1.00 0.00 C ATOM 527 O PHE A 33 -15.223 -5.087 3.247 1.00 0.00 O ATOM 528 CB PHE A 33 -15.341 -1.620 2.842 1.00 0.00 C ATOM 529 CG PHE A 33 -14.688 -0.261 3.099 1.00 0.00 C ATOM 530 CD1 PHE A 33 -13.624 0.135 2.350 1.00 0.00 C ATOM 531 CD2 PHE A 33 -15.171 0.552 4.076 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.017 1.396 2.589 1.00 0.00 C ATOM 533 CE2 PHE A 33 -14.564 1.814 4.315 1.00 0.00 C ATOM 534 CZ PHE A 33 -13.500 2.209 3.566 1.00 0.00 C ATOM 0 H PHE A 33 -12.898 -1.819 3.192 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.244 -2.966 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -15.280 -1.845 1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -16.400 -1.556 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -13.241 -0.510 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -16.016 0.238 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.171 1.710 1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -14.947 2.459 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 33 -13.039 3.169 3.747 1.00 0.00 H new ATOM 544 N LYS A 34 -14.298 -3.915 1.548 1.00 0.00 N ATOM 545 CA LYS A 34 -14.288 -5.041 0.630 1.00 0.00 C ATOM 546 C LYS A 34 -13.879 -4.555 -0.762 1.00 0.00 C ATOM 547 O LYS A 34 -13.466 -3.408 -0.927 1.00 0.00 O ATOM 548 CB LYS A 34 -15.635 -5.766 0.656 1.00 0.00 C ATOM 549 CG LYS A 34 -16.787 -4.776 0.838 1.00 0.00 C ATOM 550 CD LYS A 34 -17.919 -5.064 -0.151 1.00 0.00 C ATOM 551 CE LYS A 34 -19.283 -4.777 0.479 1.00 0.00 C ATOM 552 NZ LYS A 34 -20.343 -5.550 -0.206 1.00 0.00 N ATOM 0 H LYS A 34 -13.921 -3.048 1.164 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.549 -5.779 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.771 -6.321 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.645 -6.494 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.166 -4.837 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.423 -3.759 0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.791 -4.452 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.873 -6.106 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.263 -5.035 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.503 -3.711 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -21.262 -5.344 0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.372 -5.284 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.140 -6.567 -0.123 1.00 0.00 H new ATOM 565 N THR A 35 -14.008 -5.452 -1.729 1.00 0.00 N ATOM 566 CA THR A 35 -13.657 -5.129 -3.101 1.00 0.00 C ATOM 567 C THR A 35 -14.804 -4.381 -3.783 1.00 0.00 C ATOM 568 O THR A 35 -15.964 -4.535 -3.403 1.00 0.00 O ATOM 569 CB THR A 35 -13.273 -6.429 -3.810 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.415 -7.089 -2.883 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.386 -6.189 -5.033 1.00 0.00 C ATOM 0 H THR A 35 -14.351 -6.402 -1.589 1.00 0.00 H new ATOM 0 HA THR A 35 -12.801 -4.455 -3.142 1.00 0.00 H new ATOM 0 HB THR A 35 -14.177 -6.957 -4.115 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.120 -7.943 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.143 -7.144 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.916 -5.560 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.467 -5.692 -4.724 1.00 0.00 H new ATOM 579 N GLY A 36 -14.441 -3.587 -4.780 1.00 0.00 N ATOM 580 CA GLY A 36 -15.426 -2.815 -5.519 1.00 0.00 C ATOM 581 C GLY A 36 -15.749 -1.505 -4.798 1.00 0.00 C ATOM 582 O GLY A 36 -16.350 -0.604 -5.381 1.00 0.00 O ATOM 0 H GLY A 36 -13.478 -3.462 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.049 -2.601 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.337 -3.402 -5.640 1.00 0.00 H new ATOM 586 N ASP A 37 -15.334 -1.441 -3.541 1.00 0.00 N ATOM 587 CA ASP A 37 -15.572 -0.255 -2.735 1.00 0.00 C ATOM 588 C ASP A 37 -14.448 0.755 -2.977 1.00 0.00 C ATOM 589 O ASP A 37 -13.636 0.579 -3.884 1.00 0.00 O ATOM 590 CB ASP A 37 -15.586 -0.598 -1.244 1.00 0.00 C ATOM 591 CG ASP A 37 -16.966 -0.556 -0.584 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.227 0.277 0.297 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.803 -1.437 -1.015 1.00 0.00 O ATOM 0 H ASP A 37 -14.835 -2.190 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.539 0.159 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.167 -1.596 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.928 0.096 -0.721 1.00 0.00 H new ATOM 599 N VAL A 38 -14.438 1.790 -2.150 1.00 0.00 N ATOM 600 CA VAL A 38 -13.427 2.828 -2.264 1.00 0.00 C ATOM 601 C VAL A 38 -12.438 2.699 -1.104 1.00 0.00 C ATOM 602 O VAL A 38 -12.789 2.198 -0.037 1.00 0.00 O ATOM 603 CB VAL A 38 -14.095 4.203 -2.330 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.345 5.219 -1.466 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.206 4.689 -3.776 1.00 0.00 C ATOM 0 H VAL A 38 -15.113 1.932 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.861 2.711 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.105 4.105 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.840 6.188 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.341 4.882 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.319 5.312 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.684 5.668 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.210 4.763 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.803 3.982 -4.353 1.00 0.00 H new ATOM 615 N LEU A 39 -11.221 3.159 -1.353 1.00 0.00 N ATOM 616 CA LEU A 39 -10.178 3.102 -0.342 1.00 0.00 C ATOM 617 C LEU A 39 -9.447 4.445 -0.294 1.00 0.00 C ATOM 618 O LEU A 39 -8.701 4.784 -1.211 1.00 0.00 O ATOM 619 CB LEU A 39 -9.255 1.908 -0.593 1.00 0.00 C ATOM 620 CG LEU A 39 -9.777 0.547 -0.127 1.00 0.00 C ATOM 621 CD1 LEU A 39 -9.164 -0.587 -0.951 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.545 0.355 1.373 1.00 0.00 C ATOM 0 H LEU A 39 -10.933 3.573 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.611 2.939 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.051 1.850 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.303 2.099 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.854 0.520 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.552 -1.543 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.423 -0.455 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.080 -0.572 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.925 -0.620 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.478 0.411 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.067 1.137 1.925 1.00 0.00 H new ATOM 634 N ARG A 40 -9.686 5.174 0.787 1.00 0.00 N ATOM 635 CA ARG A 40 -9.059 6.472 0.968 1.00 0.00 C ATOM 636 C ARG A 40 -7.537 6.324 1.025 1.00 0.00 C ATOM 637 O ARG A 40 -7.018 5.500 1.777 1.00 0.00 O ATOM 638 CB ARG A 40 -9.548 7.146 2.251 1.00 0.00 C ATOM 639 CG ARG A 40 -10.884 7.855 2.024 1.00 0.00 C ATOM 640 CD ARG A 40 -10.825 9.305 2.509 1.00 0.00 C ATOM 641 NE ARG A 40 -11.587 10.179 1.588 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.128 11.363 1.944 1.00 0.00 C ATOM 643 NH1 ARG A 40 -11.996 11.826 3.205 1.00 0.00 N ATOM 644 NH2 ARG A 40 -12.789 12.061 1.040 1.00 0.00 N ATOM 0 H ARG A 40 -10.305 4.890 1.546 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.335 7.094 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.657 6.400 3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.804 7.865 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.136 7.832 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.676 7.323 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.236 9.377 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.788 9.637 2.564 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.711 9.867 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.484 11.280 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.408 12.722 3.465 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.885 11.704 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.204 12.958 1.292 1.00 0.00 H new ATOM 657 N VAL A 41 -6.865 7.134 0.221 1.00 0.00 N ATOM 658 CA VAL A 41 -5.413 7.103 0.171 1.00 0.00 C ATOM 659 C VAL A 41 -4.859 8.397 0.771 1.00 0.00 C ATOM 660 O VAL A 41 -5.357 9.484 0.481 1.00 0.00 O ATOM 661 CB VAL A 41 -4.944 6.862 -1.265 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.509 7.922 -2.212 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.416 6.816 -1.342 1.00 0.00 C ATOM 0 H VAL A 41 -7.299 7.816 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.028 6.276 0.768 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.325 5.892 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.160 7.727 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.598 7.886 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.172 8.909 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.109 6.644 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.005 7.764 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.044 6.007 -0.713 1.00 0.00 H new ATOM 673 N GLY A 42 -3.835 8.237 1.597 1.00 0.00 N ATOM 674 CA GLY A 42 -3.208 9.379 2.241 1.00 0.00 C ATOM 675 C GLY A 42 -1.739 9.500 1.832 1.00 0.00 C ATOM 676 O GLY A 42 -1.406 9.381 0.654 1.00 0.00 O ATOM 0 H GLY A 42 -3.424 7.334 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.741 10.291 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.281 9.276 3.324 1.00 0.00 H new ATOM 680 N ARG A 43 -0.898 9.735 2.829 1.00 0.00 N ATOM 681 CA ARG A 43 0.529 9.873 2.588 1.00 0.00 C ATOM 682 C ARG A 43 1.247 10.280 3.876 1.00 0.00 C ATOM 683 O ARG A 43 0.878 11.267 4.512 1.00 0.00 O ATOM 684 CB ARG A 43 0.805 10.918 1.505 1.00 0.00 C ATOM 685 CG ARG A 43 1.969 10.486 0.611 1.00 0.00 C ATOM 686 CD ARG A 43 2.356 11.601 -0.362 1.00 0.00 C ATOM 687 NE ARG A 43 2.506 11.051 -1.728 1.00 0.00 N ATOM 688 CZ ARG A 43 3.089 11.712 -2.751 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.583 12.956 -2.570 1.00 0.00 N ATOM 690 NH2 ARG A 43 3.169 11.125 -3.930 1.00 0.00 N ATOM 0 H ARG A 43 -1.177 9.833 3.805 1.00 0.00 H new ATOM 0 HA ARG A 43 0.904 8.907 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.089 11.064 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.035 11.877 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.828 10.223 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.691 9.592 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.594 12.380 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.289 12.065 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 43 2.146 10.114 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.517 13.403 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.022 13.449 -3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.793 10.185 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.606 11.611 -4.713 1.00 0.00 H new ATOM 813 N CYS A 51 -6.770 11.813 -0.867 1.00 0.00 N ATOM 814 CA CYS A 51 -7.216 11.268 -2.138 1.00 0.00 C ATOM 815 C CYS A 51 -8.058 10.021 -1.856 1.00 0.00 C ATOM 816 O CYS A 51 -8.347 9.711 -0.702 1.00 0.00 O ATOM 817 CB CYS A 51 -6.040 10.964 -3.068 1.00 0.00 C ATOM 818 SG CYS A 51 -5.170 12.514 -3.504 1.00 0.00 S ATOM 0 HA CYS A 51 -7.824 12.007 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.350 10.274 -2.582 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.398 10.472 -3.972 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.172 12.244 -4.292 1.00 0.00 H new ATOM 824 N THR A 52 -8.427 9.340 -2.931 1.00 0.00 N ATOM 825 CA THR A 52 -9.230 8.135 -2.814 1.00 0.00 C ATOM 826 C THR A 52 -8.935 7.183 -3.975 1.00 0.00 C ATOM 827 O THR A 52 -8.492 7.614 -5.039 1.00 0.00 O ATOM 828 CB THR A 52 -10.699 8.551 -2.728 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.745 9.435 -1.611 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.614 7.393 -2.326 1.00 0.00 C ATOM 0 H THR A 52 -8.185 9.600 -3.887 1.00 0.00 H new ATOM 0 HA THR A 52 -8.981 7.581 -1.909 1.00 0.00 H new ATOM 0 HB THR A 52 -11.020 8.948 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.663 9.754 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.645 7.743 -2.280 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.535 6.594 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.315 7.016 -1.348 1.00 0.00 H new ATOM 838 N ILE A 53 -9.192 5.906 -3.732 1.00 0.00 N ATOM 839 CA ILE A 53 -8.960 4.890 -4.744 1.00 0.00 C ATOM 840 C ILE A 53 -10.087 3.856 -4.690 1.00 0.00 C ATOM 841 O ILE A 53 -10.874 3.840 -3.746 1.00 0.00 O ATOM 842 CB ILE A 53 -7.563 4.286 -4.585 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.580 3.116 -3.599 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.545 5.356 -4.188 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.089 1.840 -4.271 1.00 0.00 C ATOM 0 H ILE A 53 -9.559 5.552 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.980 5.332 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.251 3.888 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.576 2.950 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.216 3.362 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.561 4.900 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.507 6.126 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.841 5.806 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.091 1.024 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.102 2.002 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.437 1.584 -5.106 1.00 0.00 H new ATOM 857 N GLU A 54 -10.127 3.019 -5.716 1.00 0.00 N ATOM 858 CA GLU A 54 -11.145 1.984 -5.798 1.00 0.00 C ATOM 859 C GLU A 54 -10.494 0.600 -5.808 1.00 0.00 C ATOM 860 O GLU A 54 -9.486 0.388 -6.480 1.00 0.00 O ATOM 861 CB GLU A 54 -12.030 2.183 -7.030 1.00 0.00 C ATOM 862 CG GLU A 54 -13.505 2.279 -6.635 1.00 0.00 C ATOM 863 CD GLU A 54 -14.408 2.222 -7.869 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.153 1.429 -8.787 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.407 3.038 -7.852 1.00 0.00 O ATOM 0 H GLU A 54 -9.472 3.036 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.783 2.057 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.730 3.090 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.888 1.353 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.757 1.464 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.681 3.209 -6.094 1.00 0.00 H new ATOM 873 N VAL A 55 -11.097 -0.307 -5.053 1.00 0.00 N ATOM 874 CA VAL A 55 -10.589 -1.666 -4.966 1.00 0.00 C ATOM 875 C VAL A 55 -10.932 -2.418 -6.254 1.00 0.00 C ATOM 876 O VAL A 55 -11.826 -2.011 -6.995 1.00 0.00 O ATOM 877 CB VAL A 55 -11.135 -2.350 -3.711 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.084 -3.270 -3.087 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.632 -1.318 -2.697 1.00 0.00 C ATOM 0 H VAL A 55 -11.932 -0.127 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.503 -1.662 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.985 -2.965 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.498 -3.744 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.799 -4.037 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.206 -2.686 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.015 -1.830 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.808 -0.665 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.428 -0.722 -3.144 1.00 0.00 H new ATOM 889 N THR A 56 -10.203 -3.501 -6.481 1.00 0.00 N ATOM 890 CA THR A 56 -10.420 -4.313 -7.667 1.00 0.00 C ATOM 891 C THR A 56 -10.385 -5.799 -7.308 1.00 0.00 C ATOM 892 O THR A 56 -11.233 -6.570 -7.756 1.00 0.00 O ATOM 893 CB THR A 56 -9.374 -3.914 -8.710 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.838 -4.517 -9.915 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.017 -4.577 -8.461 1.00 0.00 C ATOM 0 H THR A 56 -9.462 -3.835 -5.865 1.00 0.00 H new ATOM 0 HA THR A 56 -11.408 -4.137 -8.093 1.00 0.00 H new ATOM 0 HB THR A 56 -9.255 -2.831 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.219 -4.308 -10.645 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.311 -4.261 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.643 -4.283 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.130 -5.661 -8.496 1.00 0.00 H new ATOM 903 N ALA A 57 -9.395 -6.158 -6.504 1.00 0.00 N ATOM 904 CA ALA A 57 -9.238 -7.539 -6.080 1.00 0.00 C ATOM 905 C ALA A 57 -8.616 -7.572 -4.683 1.00 0.00 C ATOM 906 O ALA A 57 -8.141 -6.551 -4.186 1.00 0.00 O ATOM 907 CB ALA A 57 -8.399 -8.298 -7.110 1.00 0.00 C ATOM 0 H ALA A 57 -8.693 -5.516 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.207 -8.034 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.282 -9.334 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.899 -8.271 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.418 -7.831 -7.195 1.00 0.00 H new ATOM 913 N THR A 58 -8.638 -8.755 -4.087 1.00 0.00 N ATOM 914 CA THR A 58 -8.082 -8.934 -2.757 1.00 0.00 C ATOM 915 C THR A 58 -7.526 -10.351 -2.597 1.00 0.00 C ATOM 916 O THR A 58 -8.005 -11.285 -3.238 1.00 0.00 O ATOM 917 CB THR A 58 -9.171 -8.590 -1.739 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.089 -7.174 -1.608 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.848 -9.113 -0.337 1.00 0.00 C ATOM 0 H THR A 58 -9.033 -9.599 -4.501 1.00 0.00 H new ATOM 0 HA THR A 58 -7.237 -8.266 -2.589 1.00 0.00 H new ATOM 0 HB THR A 58 -10.123 -9.005 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.688 -6.793 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.652 -8.842 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.748 -10.198 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.913 -8.672 0.009 1.00 0.00 H new ATOM 927 N SER A 59 -6.524 -10.466 -1.739 1.00 0.00 N ATOM 928 CA SER A 59 -5.898 -11.753 -1.487 1.00 0.00 C ATOM 929 C SER A 59 -5.200 -11.738 -0.126 1.00 0.00 C ATOM 930 O SER A 59 -5.048 -10.681 0.487 1.00 0.00 O ATOM 931 CB SER A 59 -4.900 -12.106 -2.591 1.00 0.00 C ATOM 932 OG SER A 59 -4.659 -11.006 -3.465 1.00 0.00 O ATOM 0 H SER A 59 -6.130 -9.689 -1.209 1.00 0.00 H new ATOM 0 HA SER A 59 -6.676 -12.516 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.960 -12.424 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.280 -12.950 -3.167 1.00 0.00 H new ATOM 0 HG SER A 59 -4.016 -11.271 -4.155 1.00 0.00 H new ATOM 938 N THR A 60 -4.793 -12.922 0.309 1.00 0.00 N ATOM 939 CA THR A 60 -4.115 -13.058 1.586 1.00 0.00 C ATOM 940 C THR A 60 -2.681 -13.548 1.379 1.00 0.00 C ATOM 941 O THR A 60 -2.459 -14.716 1.065 1.00 0.00 O ATOM 942 CB THR A 60 -4.952 -13.985 2.470 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.694 -14.772 1.542 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.024 -13.231 3.260 1.00 0.00 C ATOM 0 H THR A 60 -4.920 -13.796 -0.201 1.00 0.00 H new ATOM 0 HA THR A 60 -4.027 -12.096 2.091 1.00 0.00 H new ATOM 0 HB THR A 60 -4.298 -14.515 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.263 -15.403 2.030 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.589 -13.935 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.548 -12.492 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.699 -12.728 2.568 1.00 0.00 H new ATOM 952 N VAL A 61 -1.743 -12.630 1.563 1.00 0.00 N ATOM 953 CA VAL A 61 -0.336 -12.954 1.400 1.00 0.00 C ATOM 954 C VAL A 61 0.507 -11.964 2.207 1.00 0.00 C ATOM 955 O VAL A 61 -0.019 -10.999 2.757 1.00 0.00 O ATOM 956 CB VAL A 61 0.027 -12.975 -0.086 1.00 0.00 C ATOM 957 CG1 VAL A 61 1.002 -14.114 -0.396 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.228 -13.076 -0.956 1.00 0.00 C ATOM 0 H VAL A 61 -1.930 -11.662 1.823 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.126 -13.951 1.787 1.00 0.00 H new ATOM 0 HB VAL A 61 0.524 -12.034 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.244 -14.107 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.915 -13.980 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.543 -15.067 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.942 -13.089 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.765 -13.993 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.872 -12.218 -0.766 1.00 0.00 H new ATOM 968 N THR A 62 1.803 -12.239 2.252 1.00 0.00 N ATOM 969 CA THR A 62 2.724 -11.386 2.982 1.00 0.00 C ATOM 970 C THR A 62 2.878 -10.038 2.274 1.00 0.00 C ATOM 971 O THR A 62 1.984 -9.609 1.547 1.00 0.00 O ATOM 972 CB THR A 62 4.044 -12.143 3.142 1.00 0.00 C ATOM 973 OG1 THR A 62 3.650 -13.508 3.249 1.00 0.00 O ATOM 974 CG2 THR A 62 4.730 -11.847 4.477 1.00 0.00 C ATOM 0 H THR A 62 2.236 -13.041 1.794 1.00 0.00 H new ATOM 0 HA THR A 62 2.344 -11.153 3.977 1.00 0.00 H new ATOM 0 HB THR A 62 4.715 -11.881 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.445 -14.071 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.662 -12.409 4.540 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.944 -10.781 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.074 -12.140 5.296 1.00 0.00 H new ATOM 982 N LEU A 63 4.020 -9.409 2.511 1.00 0.00 N ATOM 983 CA LEU A 63 4.303 -8.119 1.905 1.00 0.00 C ATOM 984 C LEU A 63 5.230 -8.317 0.704 1.00 0.00 C ATOM 985 O LEU A 63 4.805 -8.181 -0.442 1.00 0.00 O ATOM 986 CB LEU A 63 4.849 -7.144 2.950 1.00 0.00 C ATOM 987 CG LEU A 63 5.947 -7.689 3.866 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.259 -6.929 3.661 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.498 -7.674 5.328 1.00 0.00 C ATOM 0 H LEU A 63 4.760 -9.769 3.114 1.00 0.00 H new ATOM 0 HA LEU A 63 3.386 -7.665 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.237 -6.267 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.020 -6.806 3.571 1.00 0.00 H new ATOM 0 HG LEU A 63 6.132 -8.729 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.023 -7.336 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.583 -7.035 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.107 -5.874 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.296 -8.066 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.269 -6.651 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.609 -8.294 5.442 1.00 0.00 H new ATOM 1001 N ASP A 64 6.480 -8.635 1.008 1.00 0.00 N ATOM 1002 CA ASP A 64 7.471 -8.853 -0.031 1.00 0.00 C ATOM 1003 C ASP A 64 6.975 -9.945 -0.982 1.00 0.00 C ATOM 1004 O ASP A 64 7.575 -10.180 -2.029 1.00 0.00 O ATOM 1005 CB ASP A 64 8.802 -9.314 0.565 1.00 0.00 C ATOM 1006 CG ASP A 64 10.048 -8.725 -0.101 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.952 -7.845 -0.969 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.168 -9.214 0.311 1.00 0.00 O ATOM 0 H ASP A 64 6.829 -8.747 1.960 1.00 0.00 H new ATOM 0 HA ASP A 64 7.619 -7.911 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.818 -9.055 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.854 -10.401 0.502 1.00 0.00 H new ATOM 1014 N THR A 65 5.884 -10.581 -0.583 1.00 0.00 N ATOM 1015 CA THR A 65 5.300 -11.642 -1.386 1.00 0.00 C ATOM 1016 C THR A 65 4.569 -11.055 -2.595 1.00 0.00 C ATOM 1017 O THR A 65 4.062 -11.794 -3.437 1.00 0.00 O ATOM 1018 CB THR A 65 4.398 -12.481 -0.478 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.784 -11.524 0.381 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.194 -13.378 0.472 1.00 0.00 C ATOM 0 H THR A 65 5.389 -10.382 0.286 1.00 0.00 H new ATOM 0 HA THR A 65 6.069 -12.296 -1.797 1.00 0.00 H new ATOM 0 HB THR A 65 3.739 -13.096 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.982 -11.164 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.506 -13.951 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.815 -14.061 -0.107 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.829 -12.761 1.108 1.00 0.00 H new ATOM 1028 N LEU A 66 4.537 -9.731 -2.641 1.00 0.00 N ATOM 1029 CA LEU A 66 3.876 -9.037 -3.733 1.00 0.00 C ATOM 1030 C LEU A 66 4.102 -7.531 -3.584 1.00 0.00 C ATOM 1031 O LEU A 66 4.317 -6.831 -4.573 1.00 0.00 O ATOM 1032 CB LEU A 66 2.400 -9.433 -3.805 1.00 0.00 C ATOM 1033 CG LEU A 66 1.588 -9.228 -2.524 1.00 0.00 C ATOM 1034 CD1 LEU A 66 1.278 -7.746 -2.303 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.319 -10.083 -2.537 1.00 0.00 C ATOM 0 H LEU A 66 4.958 -9.121 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 66 4.308 -9.332 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.930 -8.862 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.340 -10.484 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 66 2.192 -9.560 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.700 -7.628 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.210 -7.188 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.702 -7.365 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.240 -9.919 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.299 -9.804 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.590 -11.136 -2.614 1.00 0.00 H new ATOM 1047 N THR A 67 4.047 -7.076 -2.341 1.00 0.00 N ATOM 1048 CA THR A 67 4.243 -5.666 -2.050 1.00 0.00 C ATOM 1049 C THR A 67 5.391 -5.103 -2.890 1.00 0.00 C ATOM 1050 O THR A 67 6.314 -5.831 -3.254 1.00 0.00 O ATOM 1051 CB THR A 67 4.464 -5.520 -0.543 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.987 -4.210 -0.248 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.947 -5.470 -0.171 1.00 0.00 C ATOM 0 H THR A 67 3.869 -7.659 -1.523 1.00 0.00 H new ATOM 0 HA THR A 67 3.365 -5.080 -2.322 1.00 0.00 H new ATOM 0 HB THR A 67 3.988 -6.352 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.091 -4.032 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.048 -5.366 0.909 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.434 -6.390 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.417 -4.618 -0.663 1.00 0.00 H new ATOM 1061 N GLU A 68 5.297 -3.812 -3.173 1.00 0.00 N ATOM 1062 CA GLU A 68 6.317 -3.143 -3.963 1.00 0.00 C ATOM 1063 C GLU A 68 7.704 -3.411 -3.376 1.00 0.00 C ATOM 1064 O GLU A 68 8.708 -3.324 -4.081 1.00 0.00 O ATOM 1065 CB GLU A 68 6.041 -1.641 -4.056 1.00 0.00 C ATOM 1066 CG GLU A 68 5.297 -1.299 -5.348 1.00 0.00 C ATOM 1067 CD GLU A 68 3.850 -0.895 -5.058 1.00 0.00 C ATOM 1068 OE1 GLU A 68 3.062 -1.719 -4.572 1.00 0.00 O ATOM 1069 OE2 GLU A 68 3.555 0.326 -5.354 1.00 0.00 O ATOM 0 H GLU A 68 4.530 -3.212 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 68 6.288 -3.547 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.451 -1.322 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.982 -1.092 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.809 -0.486 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.311 -2.159 -6.018 1.00 0.00 H new ATOM 1077 N LYS A 69 7.716 -3.731 -2.091 1.00 0.00 N ATOM 1078 CA LYS A 69 8.963 -4.012 -1.400 1.00 0.00 C ATOM 1079 C LYS A 69 9.793 -4.991 -2.234 1.00 0.00 C ATOM 1080 O LYS A 69 11.012 -4.856 -2.325 1.00 0.00 O ATOM 1081 CB LYS A 69 8.689 -4.496 0.025 1.00 0.00 C ATOM 1082 CG LYS A 69 9.978 -4.532 0.849 1.00 0.00 C ATOM 1083 CD LYS A 69 10.038 -5.788 1.719 1.00 0.00 C ATOM 1084 CE LYS A 69 11.319 -5.815 2.556 1.00 0.00 C ATOM 1085 NZ LYS A 69 12.274 -6.805 2.010 1.00 0.00 N ATOM 0 H LYS A 69 6.881 -3.802 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 69 9.554 -3.102 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.965 -3.837 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.244 -5.491 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.840 -4.505 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.035 -3.645 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.169 -5.821 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.994 -6.675 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.776 -4.826 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.080 -6.064 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.184 -6.340 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.415 -7.569 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.895 -7.203 1.127 1.00 0.00 H new ATOM 1098 N HIS A 70 9.098 -5.955 -2.821 1.00 0.00 N ATOM 1099 CA HIS A 70 9.756 -6.956 -3.643 1.00 0.00 C ATOM 1100 C HIS A 70 10.395 -6.282 -4.859 1.00 0.00 C ATOM 1101 O HIS A 70 11.581 -6.467 -5.124 1.00 0.00 O ATOM 1102 CB HIS A 70 8.780 -8.070 -4.027 1.00 0.00 C ATOM 1103 CG HIS A 70 9.111 -8.754 -5.332 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.102 -8.094 -6.548 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.462 -10.045 -5.597 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.433 -8.959 -7.496 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.656 -10.168 -6.904 1.00 0.00 N ATOM 0 H HIS A 70 8.087 -6.064 -2.744 1.00 0.00 H new ATOM 0 HA HIS A 70 10.554 -7.432 -3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.764 -8.815 -3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.775 -7.652 -4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.565 -10.834 -4.867 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.512 -8.745 -8.552 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.927 -11.025 -7.386 1.00 0.00 H new ATOM 1115 N ALA A 71 9.579 -5.514 -5.567 1.00 0.00 N ATOM 1116 CA ALA A 71 10.049 -4.812 -6.749 1.00 0.00 C ATOM 1117 C ALA A 71 11.306 -4.014 -6.396 1.00 0.00 C ATOM 1118 O ALA A 71 12.275 -4.008 -7.154 1.00 0.00 O ATOM 1119 CB ALA A 71 8.929 -3.924 -7.295 1.00 0.00 C ATOM 0 H ALA A 71 8.595 -5.363 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 71 10.316 -5.519 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.282 -3.397 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.070 -4.542 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.636 -3.199 -6.535 1.00 0.00 H new ATOM 1125 N GLU A 72 11.250 -3.360 -5.245 1.00 0.00 N ATOM 1126 CA GLU A 72 12.371 -2.561 -4.782 1.00 0.00 C ATOM 1127 C GLU A 72 13.560 -3.462 -4.442 1.00 0.00 C ATOM 1128 O GLU A 72 14.698 -3.154 -4.794 1.00 0.00 O ATOM 1129 CB GLU A 72 11.974 -1.701 -3.581 1.00 0.00 C ATOM 1130 CG GLU A 72 12.259 -0.222 -3.847 1.00 0.00 C ATOM 1131 CD GLU A 72 11.546 0.667 -2.826 1.00 0.00 C ATOM 1132 OE1 GLU A 72 12.148 1.616 -2.303 1.00 0.00 O ATOM 1133 OE2 GLU A 72 10.322 0.343 -2.582 1.00 0.00 O ATOM 0 H GLU A 72 10.445 -3.367 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 72 12.668 -1.888 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.914 -1.838 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.523 -2.028 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.333 -0.042 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.932 0.040 -4.853 1.00 0.00 H new ATOM 1141 N GLN A 73 13.256 -4.557 -3.761 1.00 0.00 N ATOM 1142 CA GLN A 73 14.286 -5.504 -3.369 1.00 0.00 C ATOM 1143 C GLN A 73 15.164 -5.861 -4.570 1.00 0.00 C ATOM 1144 O GLN A 73 16.366 -6.078 -4.422 1.00 0.00 O ATOM 1145 CB GLN A 73 13.668 -6.760 -2.749 1.00 0.00 C ATOM 1146 CG GLN A 73 14.464 -8.009 -3.133 1.00 0.00 C ATOM 1147 CD GLN A 73 13.984 -9.229 -2.344 1.00 0.00 C ATOM 1148 OE1 GLN A 73 14.608 -9.669 -1.392 1.00 0.00 O ATOM 1149 NE2 GLN A 73 12.845 -9.748 -2.792 1.00 0.00 N ATOM 0 H GLN A 73 12.311 -4.810 -3.471 1.00 0.00 H new ATOM 0 HA GLN A 73 14.914 -5.035 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.643 -6.660 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.636 -6.865 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.358 -8.198 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.524 -7.842 -2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.375 -9.329 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.441 -10.565 -2.333 1.00 0.00 H new ATOM 1158 N GLU A 74 14.530 -5.910 -5.732 1.00 0.00 N ATOM 1159 CA GLU A 74 15.239 -6.237 -6.958 1.00 0.00 C ATOM 1160 C GLU A 74 15.724 -4.960 -7.647 1.00 0.00 C ATOM 1161 O GLU A 74 16.004 -4.964 -8.845 1.00 0.00 O ATOM 1162 CB GLU A 74 14.359 -7.066 -7.896 1.00 0.00 C ATOM 1163 CG GLU A 74 14.981 -7.160 -9.291 1.00 0.00 C ATOM 1164 CD GLU A 74 14.588 -8.468 -9.979 1.00 0.00 C ATOM 1165 OE1 GLU A 74 15.269 -9.489 -9.805 1.00 0.00 O ATOM 1166 OE2 GLU A 74 13.532 -8.400 -10.717 1.00 0.00 O ATOM 0 H GLU A 74 13.533 -5.729 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 74 16.109 -6.841 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.225 -8.067 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.369 -6.615 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.655 -6.314 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.066 -7.097 -9.214 1.00 0.00 H new ATOM 1174 N ASN A 75 15.807 -3.896 -6.861 1.00 0.00 N ATOM 1175 CA ASN A 75 16.253 -2.615 -7.380 1.00 0.00 C ATOM 1176 C ASN A 75 17.110 -1.912 -6.326 1.00 0.00 C ATOM 1177 O ASN A 75 18.291 -1.653 -6.553 1.00 0.00 O ATOM 1178 CB ASN A 75 15.064 -1.708 -7.704 1.00 0.00 C ATOM 1179 CG ASN A 75 15.374 -0.803 -8.898 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.506 -0.420 -9.143 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.307 -0.484 -9.626 1.00 0.00 N ATOM 0 H ASN A 75 15.573 -3.896 -5.868 1.00 0.00 H new ATOM 0 HA ASN A 75 16.824 -2.801 -8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.187 -2.317 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.820 -1.098 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.409 0.116 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.387 -0.839 -9.365 1.00 0.00 H new ATOM 1188 N MET A 76 16.483 -1.625 -5.195 1.00 0.00 N ATOM 1189 CA MET A 76 17.174 -0.958 -4.104 1.00 0.00 C ATOM 1190 C MET A 76 17.811 -1.974 -3.155 1.00 0.00 C ATOM 1191 O MET A 76 17.674 -3.181 -3.350 1.00 0.00 O ATOM 1192 CB MET A 76 16.183 -0.086 -3.329 1.00 0.00 C ATOM 1193 CG MET A 76 15.493 0.916 -4.257 1.00 0.00 C ATOM 1194 SD MET A 76 16.689 2.071 -4.905 1.00 0.00 S ATOM 1195 CE MET A 76 16.653 1.618 -6.631 1.00 0.00 C ATOM 0 H MET A 76 15.504 -1.842 -5.010 1.00 0.00 H new ATOM 0 HA MET A 76 17.965 -0.338 -4.525 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.435 -0.717 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.706 0.448 -2.536 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.004 0.389 -5.076 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.715 1.452 -3.713 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.915 2.483 -7.240 1.00 0.00 H new ATOM 0 HE2 MET A 76 17.370 0.817 -6.812 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.653 1.276 -6.897 1.00 0.00 H new ATOM 1205 N THR A 77 18.493 -1.449 -2.148 1.00 0.00 N ATOM 1206 CA THR A 77 19.152 -2.296 -1.168 1.00 0.00 C ATOM 1207 C THR A 77 18.185 -2.656 -0.038 1.00 0.00 C ATOM 1208 O THR A 77 17.035 -2.218 -0.038 1.00 0.00 O ATOM 1209 CB THR A 77 20.408 -1.570 -0.684 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.814 -2.306 0.467 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.105 -0.171 -0.143 1.00 0.00 C ATOM 0 H THR A 77 18.604 -0.448 -1.989 1.00 0.00 H new ATOM 0 HA THR A 77 19.457 -3.246 -1.608 1.00 0.00 H new ATOM 0 HB THR A 77 21.122 -1.495 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.624 -1.903 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.031 0.300 0.187 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.651 0.433 -0.929 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.417 -0.248 0.699 1.00 0.00 H new ATOM 1219 N LEU A 78 18.686 -3.449 0.897 1.00 0.00 N ATOM 1220 CA LEU A 78 17.881 -3.872 2.030 1.00 0.00 C ATOM 1221 C LEU A 78 17.585 -2.664 2.920 1.00 0.00 C ATOM 1222 O LEU A 78 16.486 -2.538 3.457 1.00 0.00 O ATOM 1223 CB LEU A 78 18.560 -5.028 2.768 1.00 0.00 C ATOM 1224 CG LEU A 78 18.187 -6.435 2.298 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.396 -7.372 2.357 1.00 0.00 C ATOM 1226 CD2 LEU A 78 16.999 -6.982 3.093 1.00 0.00 C ATOM 0 H LEU A 78 19.640 -3.810 0.893 1.00 0.00 H new ATOM 0 HA LEU A 78 16.921 -4.261 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.639 -4.909 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.322 -4.946 3.828 1.00 0.00 H new ATOM 0 HG LEU A 78 17.877 -6.375 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.103 -8.366 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 78 20.187 -6.987 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 78 19.760 -7.432 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 78 16.754 -7.983 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 78 17.258 -7.024 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.138 -6.328 2.956 1.00 0.00 H new ATOM 1238 N THR A 79 18.586 -1.805 3.049 1.00 0.00 N ATOM 1239 CA THR A 79 18.447 -0.611 3.865 1.00 0.00 C ATOM 1240 C THR A 79 17.257 0.225 3.388 1.00 0.00 C ATOM 1241 O THR A 79 16.350 0.519 4.165 1.00 0.00 O ATOM 1242 CB THR A 79 19.776 0.147 3.825 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.515 -0.391 4.918 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.617 1.627 4.175 1.00 0.00 C ATOM 0 H THR A 79 19.496 -1.912 2.602 1.00 0.00 H new ATOM 0 HA THR A 79 18.232 -0.865 4.903 1.00 0.00 H new ATOM 0 HB THR A 79 20.217 0.055 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.392 0.043 4.965 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.589 2.118 4.132 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.940 2.099 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.208 1.721 5.181 1.00 0.00 H new ATOM 1252 N GLU A 80 17.299 0.584 2.114 1.00 0.00 N ATOM 1253 CA GLU A 80 16.236 1.379 1.525 1.00 0.00 C ATOM 1254 C GLU A 80 14.881 0.705 1.750 1.00 0.00 C ATOM 1255 O GLU A 80 13.913 1.361 2.131 1.00 0.00 O ATOM 1256 CB GLU A 80 16.490 1.617 0.035 1.00 0.00 C ATOM 1257 CG GLU A 80 16.831 3.083 -0.237 1.00 0.00 C ATOM 1258 CD GLU A 80 16.905 3.360 -1.740 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.888 3.253 -2.441 1.00 0.00 O ATOM 1260 OE2 GLU A 80 18.072 3.697 -2.175 1.00 0.00 O ATOM 0 H GLU A 80 18.053 0.339 1.473 1.00 0.00 H new ATOM 0 HA GLU A 80 16.222 2.352 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.308 0.981 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.607 1.333 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.077 3.726 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.785 3.331 0.229 1.00 0.00 H new ATOM 1268 N LEU A 81 14.856 -0.597 1.504 1.00 0.00 N ATOM 1269 CA LEU A 81 13.636 -1.367 1.675 1.00 0.00 C ATOM 1270 C LEU A 81 13.180 -1.275 3.133 1.00 0.00 C ATOM 1271 O LEU A 81 11.984 -1.321 3.416 1.00 0.00 O ATOM 1272 CB LEU A 81 13.835 -2.802 1.183 1.00 0.00 C ATOM 1273 CG LEU A 81 13.338 -3.101 -0.233 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.350 -4.605 -0.512 1.00 0.00 C ATOM 1275 CD2 LEU A 81 11.959 -2.485 -0.471 1.00 0.00 C ATOM 0 H LEU A 81 15.661 -1.138 1.188 1.00 0.00 H new ATOM 0 HA LEU A 81 12.835 -0.952 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.898 -3.037 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.328 -3.475 1.874 1.00 0.00 H new ATOM 0 HG LEU A 81 14.024 -2.637 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.992 -4.790 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.366 -4.986 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.700 -5.112 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.629 -2.712 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.247 -2.899 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.016 -1.404 -0.342 1.00 0.00 H new ATOM 1287 N LYS A 82 14.157 -1.146 4.018 1.00 0.00 N ATOM 1288 CA LYS A 82 13.870 -1.047 5.439 1.00 0.00 C ATOM 1289 C LYS A 82 13.244 0.318 5.735 1.00 0.00 C ATOM 1290 O LYS A 82 12.370 0.431 6.592 1.00 0.00 O ATOM 1291 CB LYS A 82 15.128 -1.337 6.261 1.00 0.00 C ATOM 1292 CG LYS A 82 14.807 -2.244 7.451 1.00 0.00 C ATOM 1293 CD LYS A 82 15.630 -1.847 8.679 1.00 0.00 C ATOM 1294 CE LYS A 82 15.879 -3.055 9.585 1.00 0.00 C ATOM 1295 NZ LYS A 82 17.304 -3.123 9.979 1.00 0.00 N ATOM 0 H LYS A 82 15.148 -1.108 3.779 1.00 0.00 H new ATOM 0 HA LYS A 82 13.142 -1.803 5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.879 -1.812 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.558 -0.401 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.744 -2.181 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.015 -3.281 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.583 -1.423 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.106 -1.071 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.253 -2.985 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.595 -3.971 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.455 -3.948 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.896 -3.212 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.564 -2.257 10.493 1.00 0.00 H new ATOM 1308 N LYS A 83 13.717 1.320 5.008 1.00 0.00 N ATOM 1309 CA LYS A 83 13.215 2.672 5.181 1.00 0.00 C ATOM 1310 C LYS A 83 11.754 2.731 4.729 1.00 0.00 C ATOM 1311 O LYS A 83 10.885 3.172 5.479 1.00 0.00 O ATOM 1312 CB LYS A 83 14.121 3.676 4.466 1.00 0.00 C ATOM 1313 CG LYS A 83 14.675 4.710 5.448 1.00 0.00 C ATOM 1314 CD LYS A 83 15.665 4.067 6.421 1.00 0.00 C ATOM 1315 CE LYS A 83 16.730 5.072 6.865 1.00 0.00 C ATOM 1316 NZ LYS A 83 18.081 4.481 6.748 1.00 0.00 N ATOM 0 H LYS A 83 14.443 1.222 4.298 1.00 0.00 H new ATOM 0 HA LYS A 83 13.235 2.954 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.945 3.149 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.561 4.180 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.169 5.511 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.855 5.164 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.130 3.690 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.144 3.211 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.666 5.972 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.547 5.373 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.792 5.176 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.143 3.635 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.259 4.215 5.758 1.00 0.00 H new ATOM 1329 N VAL A 84 11.529 2.280 3.503 1.00 0.00 N ATOM 1330 CA VAL A 84 10.189 2.276 2.942 1.00 0.00 C ATOM 1331 C VAL A 84 9.295 1.354 3.774 1.00 0.00 C ATOM 1332 O VAL A 84 8.160 1.706 4.092 1.00 0.00 O ATOM 1333 CB VAL A 84 10.242 1.883 1.464 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.301 2.697 0.718 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.490 0.382 1.304 1.00 0.00 C ATOM 0 H VAL A 84 12.252 1.915 2.883 1.00 0.00 H new ATOM 0 HA VAL A 84 9.754 3.275 2.984 1.00 0.00 H new ATOM 0 HB VAL A 84 9.272 2.111 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.318 2.398 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.061 3.758 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.279 2.516 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.523 0.130 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.440 0.118 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.684 -0.173 1.784 1.00 0.00 H new ATOM 1345 N ILE A 85 9.840 0.192 4.102 1.00 0.00 N ATOM 1346 CA ILE A 85 9.106 -0.783 4.891 1.00 0.00 C ATOM 1347 C ILE A 85 8.652 -0.135 6.201 1.00 0.00 C ATOM 1348 O ILE A 85 7.526 -0.350 6.646 1.00 0.00 O ATOM 1349 CB ILE A 85 9.941 -2.049 5.089 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.959 -2.899 3.816 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.452 -2.844 6.301 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.809 -3.907 3.813 1.00 0.00 C ATOM 0 H ILE A 85 10.781 -0.097 3.836 1.00 0.00 H new ATOM 0 HA ILE A 85 8.207 -1.101 4.363 1.00 0.00 H new ATOM 0 HB ILE A 85 10.970 -1.751 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.883 -2.252 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.910 -3.427 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.063 -3.739 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.533 -2.228 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.411 -3.132 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.845 -4.498 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.902 -4.568 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.859 -3.375 3.864 1.00 0.00 H new ATOM 1364 N ALA A 86 9.552 0.645 6.781 1.00 0.00 N ATOM 1365 CA ALA A 86 9.258 1.326 8.031 1.00 0.00 C ATOM 1366 C ALA A 86 8.252 2.448 7.771 1.00 0.00 C ATOM 1367 O ALA A 86 7.494 2.826 8.663 1.00 0.00 O ATOM 1368 CB ALA A 86 10.559 1.841 8.650 1.00 0.00 C ATOM 0 H ALA A 86 10.485 0.821 6.409 1.00 0.00 H new ATOM 0 HA ALA A 86 8.807 0.638 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.339 2.352 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.228 1.002 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.039 2.537 7.962 1.00 0.00 H new ATOM 1374 N ASP A 87 8.276 2.949 6.545 1.00 0.00 N ATOM 1375 CA ASP A 87 7.375 4.021 6.156 1.00 0.00 C ATOM 1376 C ASP A 87 5.995 3.435 5.851 1.00 0.00 C ATOM 1377 O ASP A 87 4.981 4.116 5.999 1.00 0.00 O ATOM 1378 CB ASP A 87 7.876 4.732 4.897 1.00 0.00 C ATOM 1379 CG ASP A 87 8.015 6.250 5.024 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.015 6.979 5.110 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.229 6.687 5.033 1.00 0.00 O ATOM 0 H ASP A 87 8.905 2.632 5.807 1.00 0.00 H new ATOM 0 HA ASP A 87 7.326 4.735 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.845 4.315 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.192 4.512 4.077 1.00 0.00 H new ATOM 1387 N ILE A 88 6.000 2.179 5.431 1.00 0.00 N ATOM 1388 CA ILE A 88 4.761 1.494 5.104 1.00 0.00 C ATOM 1389 C ILE A 88 4.205 0.827 6.363 1.00 0.00 C ATOM 1390 O ILE A 88 3.073 1.096 6.765 1.00 0.00 O ATOM 1391 CB ILE A 88 4.975 0.526 3.939 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.750 0.492 3.022 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.351 -0.868 4.445 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.164 0.558 1.551 1.00 0.00 C ATOM 0 H ILE A 88 6.843 1.617 5.309 1.00 0.00 H new ATOM 0 HA ILE A 88 4.011 2.207 4.762 1.00 0.00 H new ATOM 0 HB ILE A 88 5.813 0.889 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.181 -0.420 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.093 1.329 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.497 -1.536 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.273 -0.809 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.551 -1.254 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.275 0.532 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.711 1.483 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.801 -0.294 1.314 1.00 0.00 H new ATOM 1406 N TYR A 89 5.025 -0.031 6.952 1.00 0.00 N ATOM 1407 CA TYR A 89 4.629 -0.739 8.157 1.00 0.00 C ATOM 1408 C TYR A 89 5.561 -1.922 8.430 1.00 0.00 C ATOM 1409 O TYR A 89 6.060 -2.551 7.498 1.00 0.00 O ATOM 1410 CB TYR A 89 3.218 -1.267 7.892 1.00 0.00 C ATOM 1411 CG TYR A 89 3.075 -2.020 6.568 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.672 -3.254 6.408 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.348 -1.466 5.534 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.537 -3.963 5.162 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.213 -2.175 4.288 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.814 -3.389 4.163 1.00 0.00 C ATOM 1417 OH TYR A 89 2.686 -4.058 2.987 1.00 0.00 O ATOM 0 H TYR A 89 5.963 -0.252 6.617 1.00 0.00 H new ATOM 0 HA TYR A 89 4.672 -0.077 9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.930 -1.929 8.708 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.520 -0.430 7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.240 -3.688 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.880 -0.501 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.000 -4.929 5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.647 -1.752 3.471 1.00 0.00 H new ATOM 0 HH TYR A 89 2.911 -3.460 2.244 1.00 0.00 H new ATOM 1427 N PRO A 90 5.773 -2.195 9.745 1.00 0.00 N ATOM 1428 CA PRO A 90 6.636 -3.291 10.152 1.00 0.00 C ATOM 1429 C PRO A 90 5.943 -4.640 9.948 1.00 0.00 C ATOM 1430 O PRO A 90 4.947 -4.728 9.230 1.00 0.00 O ATOM 1431 CB PRO A 90 6.970 -3.009 11.607 1.00 0.00 C ATOM 1432 CG PRO A 90 5.917 -2.028 12.094 1.00 0.00 C ATOM 1433 CD PRO A 90 5.200 -1.471 10.875 1.00 0.00 C ATOM 0 HA PRO A 90 7.545 -3.355 9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.952 -3.926 12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.971 -2.588 11.703 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.210 -2.525 12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.380 -1.223 12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.124 -1.629 10.942 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.359 -0.397 10.779 1.00 0.00 H new ATOM 1441 N GLY A 91 6.497 -5.657 10.591 1.00 0.00 N ATOM 1442 CA GLY A 91 5.944 -6.997 10.489 1.00 0.00 C ATOM 1443 C GLY A 91 6.198 -7.591 9.102 1.00 0.00 C ATOM 1444 O GLY A 91 5.689 -7.084 8.103 1.00 0.00 O ATOM 0 H GLY A 91 7.323 -5.580 11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.390 -7.637 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.872 -6.968 10.685 1.00 0.00 H new ATOM 1448 N GLN A 92 6.985 -8.656 9.085 1.00 0.00 N ATOM 1449 CA GLN A 92 7.313 -9.324 7.836 1.00 0.00 C ATOM 1450 C GLN A 92 6.736 -10.741 7.825 1.00 0.00 C ATOM 1451 O GLN A 92 7.455 -11.706 7.571 1.00 0.00 O ATOM 1452 CB GLN A 92 8.826 -9.346 7.607 1.00 0.00 C ATOM 1453 CG GLN A 92 9.156 -9.245 6.117 1.00 0.00 C ATOM 1454 CD GLN A 92 9.593 -10.601 5.558 1.00 0.00 C ATOM 1455 OE1 GLN A 92 8.841 -11.561 5.531 1.00 0.00 O ATOM 1456 NE2 GLN A 92 10.847 -10.624 5.115 1.00 0.00 N ATOM 0 H GLN A 92 7.405 -9.073 9.915 1.00 0.00 H new ATOM 0 HA GLN A 92 6.863 -8.763 7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.291 -8.518 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.246 -10.266 8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.283 -8.887 5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.949 -8.513 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.422 -9.783 5.168 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.234 -11.482 4.723 1.00 0.00 H new ATOM 1465 N THR A 93 5.443 -10.822 8.104 1.00 0.00 N ATOM 1466 CA THR A 93 4.761 -12.104 8.130 1.00 0.00 C ATOM 1467 C THR A 93 3.453 -12.029 7.340 1.00 0.00 C ATOM 1468 O THR A 93 2.856 -10.960 7.223 1.00 0.00 O ATOM 1469 CB THR A 93 4.566 -12.507 9.593 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.546 -11.629 10.061 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.779 -12.167 10.461 1.00 0.00 C ATOM 0 H THR A 93 4.850 -10.019 8.314 1.00 0.00 H new ATOM 0 HA THR A 93 5.354 -12.877 7.642 1.00 0.00 H new ATOM 0 HB THR A 93 4.367 -13.577 9.652 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.355 -11.822 11.003 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.588 -12.474 11.489 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.656 -12.692 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.959 -11.092 10.430 1.00 0.00 H new ATOM 1479 N GLN A 94 3.046 -13.177 6.820 1.00 0.00 N ATOM 1480 CA GLN A 94 1.819 -13.254 6.045 1.00 0.00 C ATOM 1481 C GLN A 94 0.778 -12.280 6.600 1.00 0.00 C ATOM 1482 O GLN A 94 0.698 -12.075 7.811 1.00 0.00 O ATOM 1483 CB GLN A 94 1.275 -14.684 6.021 1.00 0.00 C ATOM 1484 CG GLN A 94 2.032 -15.542 5.007 1.00 0.00 C ATOM 1485 CD GLN A 94 2.256 -16.957 5.544 1.00 0.00 C ATOM 1486 OE1 GLN A 94 1.327 -17.696 5.826 1.00 0.00 O ATOM 1487 NE2 GLN A 94 3.537 -17.292 5.670 1.00 0.00 N ATOM 0 H GLN A 94 3.544 -14.062 6.920 1.00 0.00 H new ATOM 0 HA GLN A 94 2.043 -12.968 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.362 -15.126 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.214 -14.669 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.471 -15.588 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.992 -15.080 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.266 -16.625 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.790 -18.216 6.021 1.00 0.00 H new ATOM 1496 N PHE A 95 0.007 -11.705 5.689 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.025 -10.757 6.073 1.00 0.00 C ATOM 1498 C PHE A 95 -2.049 -10.578 4.951 1.00 0.00 C ATOM 1499 O PHE A 95 -1.952 -11.223 3.908 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.330 -9.419 6.332 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.657 -8.801 7.693 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -0.812 -9.600 8.783 1.00 0.00 C ATOM 1503 CD2 PHE A 95 -0.792 -7.453 7.813 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.116 -9.027 10.046 1.00 0.00 C ATOM 1505 CE2 PHE A 95 -1.095 -6.880 9.077 1.00 0.00 C ATOM 1506 CZ PHE A 95 -1.250 -7.679 10.166 1.00 0.00 C ATOM 0 H PHE A 95 0.076 -11.877 4.686 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.552 -11.118 6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.748 -9.561 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.613 -8.717 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.704 -10.670 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.669 -6.819 6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.241 -9.661 10.911 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.202 -5.810 9.173 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.480 -7.243 11.127 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.008 -9.698 5.202 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.049 -9.425 4.226 1.00 0.00 C ATOM 1518 C TYR A 96 -3.523 -8.536 3.097 1.00 0.00 C ATOM 1519 O TYR A 96 -2.735 -7.623 3.338 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.148 -8.675 4.980 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.507 -9.377 4.960 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.680 -10.567 5.638 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.561 -8.821 4.264 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.959 -11.227 5.619 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.840 -9.481 4.244 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.976 -10.652 4.923 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.184 -11.276 4.905 1.00 0.00 O ATOM 0 H TYR A 96 -3.085 -9.165 6.068 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.407 -10.352 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.836 -8.539 6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.258 -7.681 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.856 -11.003 6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.426 -7.890 3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.108 -12.158 6.146 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.672 -9.056 3.702 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.815 -10.751 4.370 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.980 -8.835 1.890 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.566 -8.074 0.724 1.00 0.00 C ATOM 1539 C VAL A 97 -4.803 -7.658 -0.074 1.00 0.00 C ATOM 1540 O VAL A 97 -5.698 -8.469 -0.307 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.566 -8.886 -0.103 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.293 -8.213 -1.449 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.266 -9.108 0.673 1.00 0.00 C ATOM 0 H VAL A 97 -4.633 -9.594 1.694 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.052 -7.161 1.026 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.009 -9.862 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.579 -8.810 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.224 -8.130 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.881 -7.218 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.573 -9.687 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.818 -8.144 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.480 -9.651 1.594 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.814 -6.394 -0.472 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.926 -5.860 -1.239 1.00 0.00 C ATOM 1555 C ILE A 98 -5.391 -5.186 -2.504 1.00 0.00 C ATOM 1556 O ILE A 98 -4.584 -4.261 -2.425 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.785 -4.940 -0.368 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.819 -5.431 1.081 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.190 -4.786 -0.954 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.411 -6.839 1.169 1.00 0.00 C ATOM 0 H ILE A 98 -4.070 -5.724 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.587 -6.664 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.328 -3.950 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.810 -5.431 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.411 -4.745 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.780 -4.128 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.122 -4.358 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.670 -5.763 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.424 -7.164 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.429 -6.831 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.803 -7.527 0.581 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.862 -5.676 -3.641 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.441 -5.133 -4.921 1.00 0.00 C ATOM 1574 C GLU A 99 -6.443 -4.084 -5.408 1.00 0.00 C ATOM 1575 O GLU A 99 -7.652 -4.309 -5.366 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.264 -6.244 -5.957 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.132 -5.911 -6.931 1.00 0.00 C ATOM 1578 CD GLU A 99 -3.882 -7.069 -7.899 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.623 -8.063 -7.881 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -2.877 -6.910 -8.692 1.00 0.00 O ATOM 0 H GLU A 99 -6.531 -6.443 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.474 -4.649 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.049 -7.186 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.194 -6.383 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.384 -5.011 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.220 -5.695 -6.374 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.904 -2.961 -5.860 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.736 -1.878 -6.355 1.00 0.00 C ATOM 1590 C PHE A 100 -6.019 -1.094 -7.456 1.00 0.00 C ATOM 1591 O PHE A 100 -4.822 -1.278 -7.674 1.00 0.00 O ATOM 1592 CB PHE A 100 -7.004 -0.944 -5.172 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.737 -0.403 -4.507 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.031 0.597 -5.100 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.316 -0.922 -3.322 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.855 1.099 -4.483 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.140 -0.420 -2.705 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.435 0.580 -3.298 1.00 0.00 C ATOM 0 H PHE A 100 -4.901 -2.778 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.659 -2.279 -6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.609 -0.105 -5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.593 -1.478 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.365 1.009 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.876 -1.716 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.294 1.893 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.805 -0.832 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.541 0.962 -2.828 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.780 -0.237 -8.120 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.232 0.576 -9.193 1.00 0.00 C ATOM 1610 C LYS A 101 -6.743 2.011 -9.052 1.00 0.00 C ATOM 1611 O LYS A 101 -7.776 2.247 -8.426 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.537 -0.056 -10.552 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.004 0.153 -10.937 1.00 0.00 C ATOM 1614 CD LYS A 101 -8.236 -0.178 -12.413 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.610 0.312 -12.875 1.00 0.00 C ATOM 1616 NZ LYS A 101 -10.670 -0.612 -12.416 1.00 0.00 N ATOM 0 H LYS A 101 -7.772 -0.088 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.145 0.617 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.891 0.381 -11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.314 -1.122 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.640 -0.477 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.291 1.186 -10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.458 0.285 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.160 -1.255 -12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.797 1.312 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.630 0.386 -13.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.596 -0.265 -12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.499 -1.559 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.661 -0.662 -11.377 1.00 0.00 H new ATOM 1629 N CYS A 102 -5.997 2.931 -9.645 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.362 4.337 -9.594 1.00 0.00 C ATOM 1631 C CYS A 102 -7.229 4.653 -10.814 1.00 0.00 C ATOM 1632 O CYS A 102 -6.826 4.400 -11.948 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.129 5.239 -9.520 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.406 6.581 -8.307 1.00 0.00 S ATOM 0 H CYS A 102 -5.142 2.731 -10.163 1.00 0.00 H new ATOM 0 HA CYS A 102 -6.930 4.535 -8.685 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.256 4.653 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.919 5.663 -10.502 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.352 7.339 -8.251 1.00 0.00 H new ATOM 1640 N LEU A 103 -8.404 5.201 -10.540 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.331 5.555 -11.602 1.00 0.00 C ATOM 1642 C LEU A 103 -8.892 6.875 -12.238 1.00 0.00 C ATOM 1643 O LEU A 103 -9.225 7.155 -13.388 1.00 0.00 O ATOM 1644 CB LEU A 103 -10.767 5.573 -11.075 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.192 4.360 -10.245 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.426 4.681 -9.399 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.410 3.135 -11.135 1.00 0.00 C ATOM 0 H LEU A 103 -8.735 5.409 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.314 4.801 -12.389 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.899 6.468 -10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.444 5.662 -11.925 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.383 4.117 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.708 3.802 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.199 5.505 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.251 4.964 -10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.711 2.287 -10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.191 3.350 -11.865 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.483 2.894 -11.656 1.00 0.00 H new