USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.106 K(o=-1.5,f=-14!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.57 K(o=-1.5,f=-5.6!) USER MOD Set 2.1: A 47 SER OG : rot 106:sc= 0.821 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.961 K(o=-0.14,f=-1.8) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -1.06 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.821 K(o=-0.24,f=-3.5!) USER MOD Single : A 7 ASN : amide:sc= -0.485 K(o=-0.48,f=-5.4!) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0534 (180deg=-0.356) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 14 MET CE :methyl -168:sc= -0.586 (180deg=-1.55) USER MOD Single : A 15 ASN : amide:sc= 0.939 K(o=0.94,f=-3!) USER MOD Single : A 22 ASN : amide:sc= 0.856 K(o=0.86,f=-0.075) USER MOD Single : A 24 ASN : amide:sc= -2.38 K(o=-2.4,f=-5.4!) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.741 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0.982 (180deg=0.81) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -28:sc= 0.295 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 1.06 (180deg=0.768) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -150:sc= -0.574 USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= -0.0556 (180deg=-0.379) USER MOD Single : A 57 TYR OH : rot -9:sc= 0.695 USER MOD Single : A 74 MET CE :methyl -138:sc= -0.0935 (180deg=-0.887) USER MOD Single : A 78 GLN : amide:sc= -2.25! K(o=-2.2!,f=-0.071) USER MOD Single : A 83 ASN : amide:sc= 0.223 K(o=0.22,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -4.239 11.891 6.466 1.00 0.00 N ATOM 68 CA ASN A 7 -4.796 11.850 7.819 1.00 0.00 C ATOM 69 C ASN A 7 -5.535 13.127 8.224 1.00 0.00 C ATOM 70 O ASN A 7 -5.715 13.380 9.414 1.00 0.00 O ATOM 71 CB ASN A 7 -3.736 11.408 8.832 1.00 0.00 C ATOM 72 CG ASN A 7 -2.685 12.468 9.139 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.796 13.625 8.740 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.646 12.066 9.865 1.00 0.00 N ATOM 0 HA ASN A 7 -5.577 11.090 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.232 11.125 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.237 10.516 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.908 12.726 10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.587 11.097 10.179 1.00 0.00 H new ATOM 81 N LYS A 8 -5.966 13.938 7.250 1.00 0.00 N ATOM 82 CA LYS A 8 -6.727 15.154 7.530 1.00 0.00 C ATOM 83 C LYS A 8 -8.065 14.795 8.172 1.00 0.00 C ATOM 84 O LYS A 8 -8.589 13.702 7.966 1.00 0.00 O ATOM 85 CB LYS A 8 -6.947 15.952 6.242 1.00 0.00 C ATOM 86 CG LYS A 8 -5.788 16.892 5.884 1.00 0.00 C ATOM 87 CD LYS A 8 -4.445 16.178 5.686 1.00 0.00 C ATOM 88 CE LYS A 8 -3.674 15.980 6.991 1.00 0.00 C ATOM 89 NZ LYS A 8 -3.240 17.268 7.563 1.00 0.00 N ATOM 0 H LYS A 8 -5.798 13.770 6.258 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.160 15.774 8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.104 15.256 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.860 16.539 6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.040 17.431 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.680 17.636 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.621 15.207 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.832 16.754 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.303 15.455 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.803 15.350 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.458 17.106 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.919 17.897 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.036 17.711 8.064 1.00 0.00 H new ATOM 103 N THR A 9 -8.617 15.728 8.955 1.00 0.00 N ATOM 104 CA THR A 9 -9.839 15.496 9.721 1.00 0.00 C ATOM 105 C THR A 9 -10.908 16.539 9.411 1.00 0.00 C ATOM 106 O THR A 9 -11.824 16.751 10.204 1.00 0.00 O ATOM 107 CB THR A 9 -9.535 15.421 11.220 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.845 16.579 11.644 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.678 14.190 11.518 1.00 0.00 C ATOM 0 H THR A 9 -8.227 16.663 9.073 1.00 0.00 H new ATOM 0 HA THR A 9 -10.245 14.532 9.416 1.00 0.00 H new ATOM 0 HB THR A 9 -10.480 15.350 11.758 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.660 16.516 12.604 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.466 14.144 12.586 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.215 13.291 11.215 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.741 14.256 10.965 1.00 0.00 H new ATOM 117 N ASP A 10 -10.795 17.196 8.253 1.00 0.00 N ATOM 118 CA ASP A 10 -11.760 18.191 7.821 1.00 0.00 C ATOM 119 C ASP A 10 -13.096 17.527 7.486 1.00 0.00 C ATOM 120 O ASP A 10 -13.132 16.352 7.121 1.00 0.00 O ATOM 121 CB ASP A 10 -11.191 18.938 6.616 1.00 0.00 C ATOM 122 CG ASP A 10 -9.920 19.698 6.986 1.00 0.00 C ATOM 123 OD1 ASP A 10 -10.048 20.856 7.439 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.825 19.110 6.814 1.00 0.00 O ATOM 0 H ASP A 10 -10.030 17.048 7.595 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.945 18.904 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.975 18.231 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.936 19.635 6.232 1.00 0.00 H new ATOM 129 N PRO A 11 -14.203 18.275 7.607 1.00 0.00 N ATOM 130 CA PRO A 11 -15.556 17.772 7.414 1.00 0.00 C ATOM 131 C PRO A 11 -15.833 17.327 5.978 1.00 0.00 C ATOM 132 O PRO A 11 -16.933 16.863 5.686 1.00 0.00 O ATOM 133 CB PRO A 11 -16.471 18.929 7.811 1.00 0.00 C ATOM 134 CG PRO A 11 -15.618 20.169 7.574 1.00 0.00 C ATOM 135 CD PRO A 11 -14.227 19.682 7.956 1.00 0.00 C ATOM 0 HA PRO A 11 -15.720 16.878 8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.378 18.947 7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.783 18.852 8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.662 20.501 6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.939 21.008 8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.456 20.234 7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.038 19.826 9.020 1.00 0.00 H new ATOM 143 N ARG A 12 -14.849 17.460 5.084 1.00 0.00 N ATOM 144 CA ARG A 12 -14.983 17.018 3.698 1.00 0.00 C ATOM 145 C ARG A 12 -13.809 16.140 3.274 1.00 0.00 C ATOM 146 O ARG A 12 -13.886 15.494 2.236 1.00 0.00 O ATOM 147 CB ARG A 12 -15.183 18.232 2.776 1.00 0.00 C ATOM 148 CG ARG A 12 -13.965 19.157 2.680 1.00 0.00 C ATOM 149 CD ARG A 12 -12.959 18.668 1.633 1.00 0.00 C ATOM 150 NE ARG A 12 -11.833 19.601 1.514 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.924 19.544 0.540 1.00 0.00 C ATOM 152 NH1 ARG A 12 -11.004 18.619 -0.411 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.924 20.419 0.516 1.00 0.00 N ATOM 0 H ARG A 12 -13.943 17.875 5.301 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.870 16.391 3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.435 17.877 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.036 18.809 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.293 20.165 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.477 19.217 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.591 17.680 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.454 18.564 0.668 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.740 20.335 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.767 17.942 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.302 18.586 -1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.853 21.132 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.228 20.377 -0.228 1.00 0.00 H new ATOM 167 N SER A 13 -12.736 16.113 4.069 1.00 0.00 N ATOM 168 CA SER A 13 -11.576 15.275 3.792 1.00 0.00 C ATOM 169 C SER A 13 -11.743 13.900 4.426 1.00 0.00 C ATOM 170 O SER A 13 -11.128 12.935 3.983 1.00 0.00 O ATOM 171 CB SER A 13 -10.306 15.958 4.303 1.00 0.00 C ATOM 172 OG SER A 13 -10.153 17.208 3.664 1.00 0.00 O ATOM 0 H SER A 13 -12.651 16.671 4.919 1.00 0.00 H new ATOM 0 HA SER A 13 -11.490 15.139 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.363 16.094 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.438 15.329 4.107 1.00 0.00 H new ATOM 0 HG SER A 13 -9.340 17.646 3.993 1.00 0.00 H new ATOM 178 N MET A 14 -12.582 13.816 5.463 1.00 0.00 N ATOM 179 CA MET A 14 -12.899 12.570 6.141 1.00 0.00 C ATOM 180 C MET A 14 -13.833 11.696 5.303 1.00 0.00 C ATOM 181 O MET A 14 -13.976 10.507 5.576 1.00 0.00 O ATOM 182 CB MET A 14 -13.592 12.919 7.457 1.00 0.00 C ATOM 183 CG MET A 14 -12.603 13.455 8.491 1.00 0.00 C ATOM 184 SD MET A 14 -11.405 12.260 9.138 1.00 0.00 S ATOM 185 CE MET A 14 -12.462 10.803 9.256 1.00 0.00 C ATOM 0 H MET A 14 -13.063 14.626 5.855 1.00 0.00 H new ATOM 0 HA MET A 14 -11.978 12.011 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.367 13.664 7.274 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.088 12.033 7.853 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.054 14.284 8.044 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.169 13.862 9.329 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.953 10.030 9.832 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.396 11.070 9.751 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.677 10.427 8.256 1.00 0.00 H new ATOM 195 N ASN A 15 -14.470 12.279 4.283 1.00 0.00 N ATOM 196 CA ASN A 15 -15.383 11.565 3.402 1.00 0.00 C ATOM 197 C ASN A 15 -14.916 11.597 1.946 1.00 0.00 C ATOM 198 O ASN A 15 -15.543 10.983 1.087 1.00 0.00 O ATOM 199 CB ASN A 15 -16.809 12.097 3.574 1.00 0.00 C ATOM 200 CG ASN A 15 -16.859 13.611 3.660 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.892 14.300 2.644 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.862 14.134 4.882 1.00 0.00 N ATOM 0 H ASN A 15 -14.362 13.266 4.049 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.385 10.514 3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.421 11.764 2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.246 11.671 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.893 15.146 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.834 13.523 5.698 1.00 0.00 H new ATOM 209 N SER A 16 -13.815 12.303 1.667 1.00 0.00 N ATOM 210 CA SER A 16 -13.167 12.276 0.362 1.00 0.00 C ATOM 211 C SER A 16 -11.992 11.308 0.383 1.00 0.00 C ATOM 212 O SER A 16 -11.155 11.310 -0.517 1.00 0.00 O ATOM 213 CB SER A 16 -12.728 13.680 -0.044 1.00 0.00 C ATOM 214 OG SER A 16 -11.666 14.097 0.782 1.00 0.00 O ATOM 0 H SER A 16 -13.352 12.909 2.344 1.00 0.00 H new ATOM 0 HA SER A 16 -13.880 11.925 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.415 13.687 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.564 14.374 0.043 1.00 0.00 H new ATOM 0 HG SER A 16 -11.383 14.998 0.521 1.00 0.00 H new ATOM 220 N ARG A 17 -11.924 10.469 1.419 1.00 0.00 N ATOM 221 CA ARG A 17 -10.827 9.543 1.628 1.00 0.00 C ATOM 222 C ARG A 17 -11.330 8.104 1.677 1.00 0.00 C ATOM 223 O ARG A 17 -12.477 7.852 2.043 1.00 0.00 O ATOM 224 CB ARG A 17 -10.114 9.947 2.912 1.00 0.00 C ATOM 225 CG ARG A 17 -8.876 9.087 3.116 1.00 0.00 C ATOM 226 CD ARG A 17 -7.999 9.753 4.156 1.00 0.00 C ATOM 227 NE ARG A 17 -8.670 9.839 5.452 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.881 10.978 6.119 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.601 12.163 5.587 1.00 0.00 N ATOM 230 NH2 ARG A 17 -9.383 10.938 7.345 1.00 0.00 N ATOM 0 H ARG A 17 -12.642 10.419 2.141 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.124 9.588 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.832 10.999 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.788 9.836 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.159 8.086 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.333 8.975 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.071 9.192 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.729 10.754 3.818 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.999 8.972 5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.214 12.221 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.773 13.015 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.607 10.041 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.546 11.804 7.858 1.00 0.00 H new ATOM 244 N VAL A 18 -10.455 7.170 1.304 1.00 0.00 N ATOM 245 CA VAL A 18 -10.755 5.751 1.264 1.00 0.00 C ATOM 246 C VAL A 18 -9.919 5.023 2.305 1.00 0.00 C ATOM 247 O VAL A 18 -8.723 5.281 2.436 1.00 0.00 O ATOM 248 CB VAL A 18 -10.440 5.193 -0.125 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.890 3.740 -0.230 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.128 5.998 -1.225 1.00 0.00 C ATOM 0 H VAL A 18 -9.501 7.390 1.017 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.813 5.603 1.479 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.361 5.262 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.659 3.358 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.369 3.143 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.965 3.679 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.880 5.571 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.208 5.965 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.788 7.033 -1.186 1.00 0.00 H new ATOM 260 N PHE A 19 -10.557 4.109 3.035 1.00 0.00 N ATOM 261 CA PHE A 19 -9.893 3.209 3.958 1.00 0.00 C ATOM 262 C PHE A 19 -9.848 1.833 3.297 1.00 0.00 C ATOM 263 O PHE A 19 -10.856 1.373 2.766 1.00 0.00 O ATOM 264 CB PHE A 19 -10.662 3.183 5.280 1.00 0.00 C ATOM 265 CG PHE A 19 -10.187 2.127 6.256 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.821 1.976 6.530 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.122 1.296 6.886 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.394 0.994 7.435 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.696 0.314 7.790 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.330 0.164 8.067 1.00 0.00 C ATOM 0 H PHE A 19 -11.568 3.976 2.996 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.877 3.534 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.581 4.161 5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.719 3.017 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.098 2.615 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.175 1.413 6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.341 0.877 7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.419 -0.327 8.273 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.999 -0.590 8.766 1.00 0.00 H new ATOM 280 N ILE A 20 -8.685 1.180 3.324 1.00 0.00 N ATOM 281 CA ILE A 20 -8.486 -0.108 2.677 1.00 0.00 C ATOM 282 C ILE A 20 -7.910 -1.061 3.715 1.00 0.00 C ATOM 283 O ILE A 20 -6.743 -0.943 4.075 1.00 0.00 O ATOM 284 CB ILE A 20 -7.528 0.049 1.485 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.026 1.132 0.519 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.385 -1.290 0.756 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.948 1.534 -0.490 1.00 0.00 C ATOM 0 H ILE A 20 -7.855 1.535 3.798 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.428 -0.501 2.295 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.553 0.358 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.904 0.768 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.338 2.009 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.705 -1.174 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.987 -2.037 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.361 -1.613 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.341 2.303 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.079 1.923 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.655 0.663 -1.076 1.00 0.00 H new ATOM 299 N GLY A 21 -8.722 -2.002 4.199 1.00 0.00 N ATOM 300 CA GLY A 21 -8.308 -2.936 5.236 1.00 0.00 C ATOM 301 C GLY A 21 -8.174 -4.364 4.726 1.00 0.00 C ATOM 302 O GLY A 21 -8.517 -4.661 3.582 1.00 0.00 O ATOM 0 H GLY A 21 -9.682 -2.134 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.353 -2.612 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.033 -2.912 6.050 1.00 0.00 H new ATOM 306 N ASN A 22 -7.670 -5.248 5.596 1.00 0.00 N ATOM 307 CA ASN A 22 -7.432 -6.655 5.295 1.00 0.00 C ATOM 308 C ASN A 22 -6.565 -6.824 4.036 1.00 0.00 C ATOM 309 O ASN A 22 -6.622 -7.850 3.361 1.00 0.00 O ATOM 310 CB ASN A 22 -8.767 -7.399 5.230 1.00 0.00 C ATOM 311 CG ASN A 22 -8.584 -8.906 5.368 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.380 -9.406 6.468 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.653 -9.641 4.262 1.00 0.00 N ATOM 0 H ASN A 22 -7.412 -4.993 6.549 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.852 -7.108 6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.423 -7.039 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.260 -7.178 4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.535 -10.653 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.824 -9.193 3.362 1.00 0.00 H new ATOM 320 N LEU A 23 -5.762 -5.803 3.719 1.00 0.00 N ATOM 321 CA LEU A 23 -5.002 -5.723 2.483 1.00 0.00 C ATOM 322 C LEU A 23 -3.797 -6.668 2.479 1.00 0.00 C ATOM 323 O LEU A 23 -3.218 -6.967 3.522 1.00 0.00 O ATOM 324 CB LEU A 23 -4.599 -4.258 2.275 1.00 0.00 C ATOM 325 CG LEU A 23 -3.854 -3.982 0.963 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.697 -4.354 -0.255 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.537 -2.491 0.879 1.00 0.00 C ATOM 0 H LEU A 23 -5.625 -4.998 4.330 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.619 -6.055 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.496 -3.640 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.969 -3.946 3.108 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.947 -4.586 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.135 -4.144 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.942 -5.415 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.617 -3.769 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.007 -2.284 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.465 -1.920 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.912 -2.204 1.725 1.00 0.00 H new ATOM 339 N ASN A 24 -3.426 -7.131 1.280 1.00 0.00 N ATOM 340 CA ASN A 24 -2.265 -7.968 1.008 1.00 0.00 C ATOM 341 C ASN A 24 -0.978 -7.136 1.023 1.00 0.00 C ATOM 342 O ASN A 24 -0.237 -7.100 0.042 1.00 0.00 O ATOM 343 CB ASN A 24 -2.492 -8.641 -0.349 1.00 0.00 C ATOM 344 CG ASN A 24 -2.949 -7.634 -1.395 1.00 0.00 C ATOM 345 OD1 ASN A 24 -4.142 -7.380 -1.531 1.00 0.00 O ATOM 346 ND2 ASN A 24 -2.018 -7.048 -2.138 1.00 0.00 N ATOM 0 H ASN A 24 -3.957 -6.918 0.436 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.147 -8.728 1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.570 -9.119 -0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.240 -9.428 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.286 -6.365 -2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.035 -7.281 -2.000 1.00 0.00 H new ATOM 353 N THR A 25 -0.710 -6.461 2.141 1.00 0.00 N ATOM 354 CA THR A 25 0.371 -5.485 2.246 1.00 0.00 C ATOM 355 C THR A 25 1.773 -6.086 2.183 1.00 0.00 C ATOM 356 O THR A 25 2.752 -5.346 2.250 1.00 0.00 O ATOM 357 CB THR A 25 0.194 -4.680 3.535 1.00 0.00 C ATOM 358 OG1 THR A 25 0.313 -5.533 4.652 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.193 -4.044 3.550 1.00 0.00 C ATOM 0 H THR A 25 -1.241 -6.578 3.004 1.00 0.00 H new ATOM 0 HA THR A 25 0.296 -4.841 1.370 1.00 0.00 H new ATOM 0 HB THR A 25 0.961 -3.907 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.260 -5.725 4.817 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.320 -3.470 4.468 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.299 -3.382 2.691 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.952 -4.825 3.502 1.00 0.00 H new ATOM 367 N LEU A 26 1.883 -7.413 2.057 1.00 0.00 N ATOM 368 CA LEU A 26 3.165 -8.085 1.896 1.00 0.00 C ATOM 369 C LEU A 26 3.463 -8.354 0.422 1.00 0.00 C ATOM 370 O LEU A 26 4.500 -8.933 0.098 1.00 0.00 O ATOM 371 CB LEU A 26 3.234 -9.359 2.748 1.00 0.00 C ATOM 372 CG LEU A 26 2.001 -10.259 2.624 1.00 0.00 C ATOM 373 CD1 LEU A 26 2.400 -11.713 2.871 1.00 0.00 C ATOM 374 CD2 LEU A 26 0.956 -9.878 3.669 1.00 0.00 C ATOM 0 H LEU A 26 1.083 -8.046 2.064 1.00 0.00 H new ATOM 0 HA LEU A 26 3.947 -7.419 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.117 -9.929 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.362 -9.078 3.793 1.00 0.00 H new ATOM 0 HG LEU A 26 1.589 -10.135 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.521 -12.352 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.145 -12.016 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.819 -11.810 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.086 -10.527 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.380 -9.993 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.654 -8.841 3.521 1.00 0.00 H new ATOM 386 N VAL A 27 2.558 -7.939 -0.469 1.00 0.00 N ATOM 387 CA VAL A 27 2.749 -8.040 -1.911 1.00 0.00 C ATOM 388 C VAL A 27 2.391 -6.718 -2.587 1.00 0.00 C ATOM 389 O VAL A 27 2.855 -6.450 -3.693 1.00 0.00 O ATOM 390 CB VAL A 27 1.902 -9.193 -2.466 1.00 0.00 C ATOM 391 CG1 VAL A 27 2.164 -9.380 -3.963 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.241 -10.507 -1.761 1.00 0.00 C ATOM 0 H VAL A 27 1.666 -7.521 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 27 3.798 -8.250 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 27 0.856 -8.938 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.555 -10.202 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.906 -8.464 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.218 -9.607 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.628 -11.309 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.295 -10.741 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.043 -10.409 -0.694 1.00 0.00 H new ATOM 402 N VAL A 28 1.574 -5.882 -1.939 1.00 0.00 N ATOM 403 CA VAL A 28 1.240 -4.570 -2.474 1.00 0.00 C ATOM 404 C VAL A 28 2.334 -3.575 -2.104 1.00 0.00 C ATOM 405 O VAL A 28 3.087 -3.794 -1.152 1.00 0.00 O ATOM 406 CB VAL A 28 -0.144 -4.129 -1.978 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.050 -3.139 -0.817 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.940 -3.483 -3.106 1.00 0.00 C ATOM 0 H VAL A 28 1.135 -6.096 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 28 1.187 -4.615 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.650 -5.029 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.053 -2.855 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.477 -3.604 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.494 -2.251 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.918 -3.178 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.404 -2.609 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.069 -4.200 -3.917 1.00 0.00 H new ATOM 418 N LYS A 29 2.422 -2.475 -2.853 1.00 0.00 N ATOM 419 CA LYS A 29 3.353 -1.384 -2.589 1.00 0.00 C ATOM 420 C LYS A 29 2.618 -0.061 -2.765 1.00 0.00 C ATOM 421 O LYS A 29 1.486 -0.037 -3.246 1.00 0.00 O ATOM 422 CB LYS A 29 4.595 -1.460 -3.491 1.00 0.00 C ATOM 423 CG LYS A 29 4.376 -2.249 -4.785 1.00 0.00 C ATOM 424 CD LYS A 29 4.736 -3.722 -4.578 1.00 0.00 C ATOM 425 CE LYS A 29 4.237 -4.541 -5.763 1.00 0.00 C ATOM 426 NZ LYS A 29 4.722 -5.929 -5.699 1.00 0.00 N ATOM 0 H LYS A 29 1.837 -2.317 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 29 3.716 -1.466 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.911 -0.448 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.411 -1.918 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.336 -2.163 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.987 -1.827 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.816 -3.832 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.289 -4.090 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.147 -4.535 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.571 -4.080 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.587 -6.387 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.733 -5.933 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.189 -6.450 -4.974 1.00 0.00 H new ATOM 440 N LYS A 30 3.251 1.051 -2.380 1.00 0.00 N ATOM 441 CA LYS A 30 2.605 2.351 -2.481 1.00 0.00 C ATOM 442 C LYS A 30 2.265 2.672 -3.932 1.00 0.00 C ATOM 443 O LYS A 30 1.267 3.338 -4.194 1.00 0.00 O ATOM 444 CB LYS A 30 3.523 3.422 -1.893 1.00 0.00 C ATOM 445 CG LYS A 30 2.837 4.781 -2.016 1.00 0.00 C ATOM 446 CD LYS A 30 3.585 5.836 -1.207 1.00 0.00 C ATOM 447 CE LYS A 30 2.871 7.175 -1.370 1.00 0.00 C ATOM 448 NZ LYS A 30 3.529 8.229 -0.578 1.00 0.00 N ATOM 0 H LYS A 30 4.198 1.072 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 30 1.673 2.331 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.739 3.202 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.477 3.432 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.796 5.080 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.808 4.708 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.619 5.552 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.617 5.914 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.861 7.459 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.832 7.076 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.023 9.128 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.516 7.966 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.514 8.338 -0.895 1.00 0.00 H new ATOM 462 N SER A 31 3.094 2.195 -4.861 1.00 0.00 N ATOM 463 CA SER A 31 2.935 2.447 -6.285 1.00 0.00 C ATOM 464 C SER A 31 1.850 1.556 -6.884 1.00 0.00 C ATOM 465 O SER A 31 1.489 1.722 -8.049 1.00 0.00 O ATOM 466 CB SER A 31 4.273 2.234 -6.993 1.00 0.00 C ATOM 467 OG SER A 31 4.740 0.922 -6.758 1.00 0.00 O ATOM 0 H SER A 31 3.904 1.616 -4.638 1.00 0.00 H new ATOM 0 HA SER A 31 2.619 3.481 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.158 2.402 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.004 2.959 -6.634 1.00 0.00 H new ATOM 0 HG SER A 31 5.597 0.793 -7.216 1.00 0.00 H new ATOM 473 N ASP A 32 1.327 0.612 -6.098 1.00 0.00 N ATOM 474 CA ASP A 32 0.231 -0.237 -6.518 1.00 0.00 C ATOM 475 C ASP A 32 -1.090 0.349 -6.043 1.00 0.00 C ATOM 476 O ASP A 32 -2.065 0.342 -6.790 1.00 0.00 O ATOM 477 CB ASP A 32 0.438 -1.646 -5.957 1.00 0.00 C ATOM 478 CG ASP A 32 1.263 -2.535 -6.887 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.105 -1.986 -7.630 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.042 -3.766 -6.847 1.00 0.00 O ATOM 0 H ASP A 32 1.658 0.422 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 32 0.205 -0.294 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.936 -1.578 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.533 -2.110 -5.784 1.00 0.00 H new ATOM 485 N VAL A 33 -1.151 0.865 -4.809 1.00 0.00 N ATOM 486 CA VAL A 33 -2.401 1.406 -4.290 1.00 0.00 C ATOM 487 C VAL A 33 -2.783 2.663 -5.071 1.00 0.00 C ATOM 488 O VAL A 33 -3.964 2.890 -5.331 1.00 0.00 O ATOM 489 CB VAL A 33 -2.267 1.695 -2.792 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.583 2.238 -2.234 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.921 0.414 -2.029 1.00 0.00 C ATOM 0 H VAL A 33 -0.361 0.917 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.197 0.673 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.474 2.432 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.471 2.438 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.844 3.161 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.373 1.502 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.829 0.637 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.710 -0.323 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.977 0.014 -2.398 1.00 0.00 H new ATOM 501 N GLU A 34 -1.797 3.479 -5.454 1.00 0.00 N ATOM 502 CA GLU A 34 -2.061 4.675 -6.247 1.00 0.00 C ATOM 503 C GLU A 34 -2.250 4.333 -7.727 1.00 0.00 C ATOM 504 O GLU A 34 -2.404 5.233 -8.552 1.00 0.00 O ATOM 505 CB GLU A 34 -0.967 5.724 -6.028 1.00 0.00 C ATOM 506 CG GLU A 34 0.375 5.312 -6.631 1.00 0.00 C ATOM 507 CD GLU A 34 1.439 6.386 -6.400 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.099 7.585 -6.523 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.591 6.004 -6.100 1.00 0.00 O ATOM 0 H GLU A 34 -0.814 3.331 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.000 5.111 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.283 6.670 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.843 5.896 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.702 4.371 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.258 5.137 -7.700 1.00 0.00 H new ATOM 516 N ALA A 35 -2.245 3.038 -8.067 1.00 0.00 N ATOM 517 CA ALA A 35 -2.452 2.570 -9.427 1.00 0.00 C ATOM 518 C ALA A 35 -3.710 1.705 -9.534 1.00 0.00 C ATOM 519 O ALA A 35 -4.133 1.367 -10.639 1.00 0.00 O ATOM 520 CB ALA A 35 -1.215 1.790 -9.869 1.00 0.00 C ATOM 0 H ALA A 35 -2.095 2.286 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.600 3.428 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.356 1.432 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.341 2.441 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.064 0.940 -9.204 1.00 0.00 H new ATOM 526 N ILE A 36 -4.307 1.348 -8.395 1.00 0.00 N ATOM 527 CA ILE A 36 -5.514 0.527 -8.337 1.00 0.00 C ATOM 528 C ILE A 36 -6.731 1.396 -8.016 1.00 0.00 C ATOM 529 O ILE A 36 -7.859 1.012 -8.319 1.00 0.00 O ATOM 530 CB ILE A 36 -5.288 -0.575 -7.296 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.215 -1.544 -7.807 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.568 -1.358 -7.011 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.619 -2.358 -6.664 1.00 0.00 C ATOM 0 H ILE A 36 -3.960 1.625 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.716 0.060 -9.301 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.968 -0.098 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.650 -2.216 -8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.426 -0.985 -8.309 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.365 -2.129 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.332 -0.680 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.922 -1.824 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.861 -3.036 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.163 -1.685 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.406 -2.935 -6.179 1.00 0.00 H new ATOM 545 N PHE A 37 -6.510 2.566 -7.411 1.00 0.00 N ATOM 546 CA PHE A 37 -7.588 3.472 -7.046 1.00 0.00 C ATOM 547 C PHE A 37 -7.593 4.734 -7.910 1.00 0.00 C ATOM 548 O PHE A 37 -8.557 5.492 -7.896 1.00 0.00 O ATOM 549 CB PHE A 37 -7.469 3.787 -5.552 1.00 0.00 C ATOM 550 CG PHE A 37 -7.825 2.610 -4.671 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.974 1.496 -4.595 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.021 2.624 -3.935 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.329 0.397 -3.803 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.378 1.522 -3.147 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.528 0.406 -3.078 1.00 0.00 C ATOM 0 H PHE A 37 -5.581 2.906 -7.164 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.548 2.992 -7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.449 4.103 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.121 4.626 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.046 1.487 -5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.668 3.488 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.676 -0.461 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.305 1.531 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.798 -0.443 -2.468 1.00 0.00 H new ATOM 565 N SER A 38 -6.526 4.982 -8.678 1.00 0.00 N ATOM 566 CA SER A 38 -6.463 6.157 -9.537 1.00 0.00 C ATOM 567 C SER A 38 -7.398 6.010 -10.744 1.00 0.00 C ATOM 568 O SER A 38 -7.610 6.967 -11.487 1.00 0.00 O ATOM 569 CB SER A 38 -5.016 6.394 -9.962 1.00 0.00 C ATOM 570 OG SER A 38 -4.903 7.561 -10.747 1.00 0.00 O ATOM 0 H SER A 38 -5.701 4.384 -8.718 1.00 0.00 H new ATOM 0 HA SER A 38 -6.807 7.029 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.384 6.483 -9.078 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.654 5.535 -10.527 1.00 0.00 H new ATOM 0 HG SER A 38 -5.745 7.718 -11.223 1.00 0.00 H new ATOM 576 N LYS A 39 -7.965 4.815 -10.946 1.00 0.00 N ATOM 577 CA LYS A 39 -8.914 4.565 -12.024 1.00 0.00 C ATOM 578 C LYS A 39 -10.329 5.010 -11.646 1.00 0.00 C ATOM 579 O LYS A 39 -11.219 5.005 -12.494 1.00 0.00 O ATOM 580 CB LYS A 39 -8.901 3.077 -12.390 1.00 0.00 C ATOM 581 CG LYS A 39 -9.430 2.224 -11.234 1.00 0.00 C ATOM 582 CD LYS A 39 -9.545 0.761 -11.662 1.00 0.00 C ATOM 583 CE LYS A 39 -10.129 -0.047 -10.505 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.381 -1.445 -10.899 1.00 0.00 N ATOM 0 H LYS A 39 -7.776 3.999 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.608 5.154 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.511 2.912 -13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.886 2.769 -12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.762 2.307 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.405 2.595 -10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.182 0.674 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.565 0.371 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.441 -0.024 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.060 0.412 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.014 -1.892 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.827 -1.466 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.480 -1.964 -10.931 1.00 0.00 H new ATOM 598 N TYR A 40 -10.541 5.395 -10.385 1.00 0.00 N ATOM 599 CA TYR A 40 -11.850 5.794 -9.884 1.00 0.00 C ATOM 600 C TYR A 40 -11.860 7.239 -9.386 1.00 0.00 C ATOM 601 O TYR A 40 -12.909 7.736 -8.978 1.00 0.00 O ATOM 602 CB TYR A 40 -12.292 4.832 -8.780 1.00 0.00 C ATOM 603 CG TYR A 40 -13.044 3.622 -9.287 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.195 3.799 -10.074 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.608 2.328 -8.970 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.909 2.691 -10.547 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.320 1.214 -9.438 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.472 1.391 -10.229 1.00 0.00 C ATOM 609 OH TYR A 40 -15.162 0.307 -10.683 1.00 0.00 O ATOM 0 H TYR A 40 -9.803 5.437 -9.683 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.558 5.744 -10.711 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.413 4.497 -8.230 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.924 5.371 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.531 4.796 -10.316 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.724 2.189 -8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.791 2.833 -11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.984 0.218 -9.191 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.724 -0.513 -10.373 1.00 0.00 H new ATOM 619 N GLY A 41 -10.714 7.923 -9.411 1.00 0.00 N ATOM 620 CA GLY A 41 -10.669 9.308 -8.981 1.00 0.00 C ATOM 621 C GLY A 41 -9.255 9.875 -8.969 1.00 0.00 C ATOM 622 O GLY A 41 -8.276 9.137 -9.093 1.00 0.00 O ATOM 0 H GLY A 41 -9.821 7.541 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.292 9.910 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.096 9.388 -7.981 1.00 0.00 H new ATOM 626 N LYS A 42 -9.151 11.198 -8.818 1.00 0.00 N ATOM 627 CA LYS A 42 -7.878 11.888 -8.732 1.00 0.00 C ATOM 628 C LYS A 42 -7.335 11.750 -7.315 1.00 0.00 C ATOM 629 O LYS A 42 -7.908 12.293 -6.372 1.00 0.00 O ATOM 630 CB LYS A 42 -8.069 13.362 -9.109 1.00 0.00 C ATOM 631 CG LYS A 42 -6.831 14.201 -8.778 1.00 0.00 C ATOM 632 CD LYS A 42 -5.569 13.696 -9.477 1.00 0.00 C ATOM 633 CE LYS A 42 -4.373 14.471 -8.935 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.113 14.025 -9.562 1.00 0.00 N ATOM 0 H LYS A 42 -9.959 11.818 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.161 11.449 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.286 13.439 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.932 13.764 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.011 15.236 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.671 14.195 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.440 12.628 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.652 13.833 -10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.515 15.536 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.311 14.338 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.319 14.571 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.967 13.014 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.165 14.175 -10.590 1.00 0.00 H new ATOM 648 N ILE A 43 -6.225 11.027 -7.169 1.00 0.00 N ATOM 649 CA ILE A 43 -5.569 10.879 -5.883 1.00 0.00 C ATOM 650 C ILE A 43 -4.622 12.057 -5.688 1.00 0.00 C ATOM 651 O ILE A 43 -3.794 12.342 -6.553 1.00 0.00 O ATOM 652 CB ILE A 43 -4.840 9.526 -5.819 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.856 8.387 -6.001 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.128 9.392 -4.470 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.235 6.991 -5.895 1.00 0.00 C ATOM 0 H ILE A 43 -5.764 10.534 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.297 10.884 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.099 9.470 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.639 8.486 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.335 8.490 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.612 8.433 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.404 10.200 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.861 9.448 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.010 6.237 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.472 6.873 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.781 6.868 -4.912 1.00 0.00 H new ATOM 667 N VAL A 44 -4.748 12.741 -4.548 1.00 0.00 N ATOM 668 CA VAL A 44 -3.895 13.872 -4.192 1.00 0.00 C ATOM 669 C VAL A 44 -3.108 13.569 -2.922 1.00 0.00 C ATOM 670 O VAL A 44 -2.391 14.425 -2.408 1.00 0.00 O ATOM 671 CB VAL A 44 -4.722 15.151 -4.044 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.207 15.613 -5.416 1.00 0.00 C ATOM 673 CG2 VAL A 44 -5.933 14.929 -3.139 1.00 0.00 C ATOM 0 H VAL A 44 -5.451 12.522 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.180 14.033 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.084 15.911 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.795 16.524 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.348 15.811 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.824 14.835 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.499 15.857 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.569 14.153 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.596 14.618 -2.150 1.00 0.00 H new ATOM 683 N GLY A 45 -3.245 12.339 -2.420 1.00 0.00 N ATOM 684 CA GLY A 45 -2.531 11.858 -1.251 1.00 0.00 C ATOM 685 C GLY A 45 -2.756 10.356 -1.129 1.00 0.00 C ATOM 686 O GLY A 45 -3.866 9.881 -1.359 1.00 0.00 O ATOM 0 H GLY A 45 -3.869 11.642 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.467 12.075 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.885 12.368 -0.355 1.00 0.00 H new ATOM 690 N CYS A 46 -1.723 9.594 -0.772 1.00 0.00 N ATOM 691 CA CYS A 46 -1.855 8.159 -0.600 1.00 0.00 C ATOM 692 C CYS A 46 -0.777 7.625 0.332 1.00 0.00 C ATOM 693 O CYS A 46 0.313 8.187 0.425 1.00 0.00 O ATOM 694 CB CYS A 46 -1.775 7.468 -1.962 1.00 0.00 C ATOM 695 SG CYS A 46 -0.185 7.841 -2.747 1.00 0.00 S ATOM 0 H CYS A 46 -0.785 9.954 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.824 7.947 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.887 6.391 -1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.593 7.804 -2.599 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.327 7.834 -4.039 1.00 0.00 H new ATOM 701 N SER A 47 -1.087 6.529 1.023 1.00 0.00 N ATOM 702 CA SER A 47 -0.148 5.862 1.909 1.00 0.00 C ATOM 703 C SER A 47 -0.535 4.393 2.042 1.00 0.00 C ATOM 704 O SER A 47 -1.687 4.021 1.816 1.00 0.00 O ATOM 705 CB SER A 47 -0.147 6.553 3.277 1.00 0.00 C ATOM 706 OG SER A 47 -1.430 6.483 3.865 1.00 0.00 O ATOM 0 H SER A 47 -2.002 6.081 0.980 1.00 0.00 H new ATOM 0 HA SER A 47 0.858 5.922 1.495 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.586 6.079 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.152 7.595 3.165 1.00 0.00 H new ATOM 0 HG SER A 47 -1.424 5.819 4.586 1.00 0.00 H new ATOM 712 N VAL A 48 0.430 3.553 2.408 1.00 0.00 N ATOM 713 CA VAL A 48 0.202 2.130 2.585 1.00 0.00 C ATOM 714 C VAL A 48 0.992 1.643 3.796 1.00 0.00 C ATOM 715 O VAL A 48 2.124 2.064 4.021 1.00 0.00 O ATOM 716 CB VAL A 48 0.539 1.372 1.293 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.962 1.656 0.815 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.375 -0.135 1.472 1.00 0.00 C ATOM 0 H VAL A 48 1.391 3.844 2.589 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.851 1.933 2.785 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.164 1.730 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.156 1.099 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.075 2.723 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.672 1.349 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.621 -0.641 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.043 -0.483 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.656 -0.359 1.745 1.00 0.00 H new ATOM 728 N HIS A 49 0.379 0.751 4.573 1.00 0.00 N ATOM 729 CA HIS A 49 0.918 0.304 5.845 1.00 0.00 C ATOM 730 C HIS A 49 0.764 -1.212 5.932 1.00 0.00 C ATOM 731 O HIS A 49 0.420 -1.849 4.938 1.00 0.00 O ATOM 732 CB HIS A 49 0.153 1.018 6.968 1.00 0.00 C ATOM 733 CG HIS A 49 -0.060 2.491 6.707 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.742 3.534 7.179 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.077 3.013 5.963 1.00 0.00 C ATOM 736 CE1 HIS A 49 0.184 4.659 6.696 1.00 0.00 C ATOM 737 NE2 HIS A 49 -0.903 4.375 5.960 1.00 0.00 N ATOM 0 H HIS A 49 -0.512 0.318 4.330 1.00 0.00 H new ATOM 0 HA HIS A 49 1.977 0.544 5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.816 0.536 7.101 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.700 0.898 7.903 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.573 3.458 7.765 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.866 2.462 5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.559 5.656 6.876 1.00 0.00 H new ATOM 745 N LYS A 50 1.009 -1.811 7.101 1.00 0.00 N ATOM 746 CA LYS A 50 0.755 -3.234 7.277 1.00 0.00 C ATOM 747 C LYS A 50 -0.735 -3.465 7.522 1.00 0.00 C ATOM 748 O LYS A 50 -1.335 -2.814 8.376 1.00 0.00 O ATOM 749 CB LYS A 50 1.585 -3.796 8.434 1.00 0.00 C ATOM 750 CG LYS A 50 3.031 -4.114 8.044 1.00 0.00 C ATOM 751 CD LYS A 50 3.091 -5.178 6.942 1.00 0.00 C ATOM 752 CE LYS A 50 4.496 -5.767 6.827 1.00 0.00 C ATOM 753 NZ LYS A 50 4.849 -6.566 8.017 1.00 0.00 N ATOM 0 H LYS A 50 1.377 -1.337 7.925 1.00 0.00 H new ATOM 0 HA LYS A 50 1.051 -3.758 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.587 -3.077 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.109 -4.703 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.526 -3.205 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.577 -4.464 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.376 -5.972 7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.798 -4.737 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.557 -6.393 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.220 -4.962 6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.618 -7.224 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.161 -5.932 8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.017 -7.105 8.332 1.00 0.00 H new ATOM 767 N GLY A 51 -1.317 -4.397 6.765 1.00 0.00 N ATOM 768 CA GLY A 51 -2.710 -4.804 6.887 1.00 0.00 C ATOM 769 C GLY A 51 -3.714 -3.801 6.318 1.00 0.00 C ATOM 770 O GLY A 51 -4.862 -4.175 6.079 1.00 0.00 O ATOM 0 H GLY A 51 -0.816 -4.900 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.842 -5.760 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.937 -4.969 7.940 1.00 0.00 H new ATOM 774 N PHE A 52 -3.316 -2.544 6.098 1.00 0.00 N ATOM 775 CA PHE A 52 -4.232 -1.534 5.591 1.00 0.00 C ATOM 776 C PHE A 52 -3.507 -0.471 4.767 1.00 0.00 C ATOM 777 O PHE A 52 -2.280 -0.404 4.764 1.00 0.00 O ATOM 778 CB PHE A 52 -4.974 -0.868 6.753 1.00 0.00 C ATOM 779 CG PHE A 52 -4.081 -0.077 7.677 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.475 -0.697 8.776 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.856 1.283 7.425 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.632 0.038 9.619 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.012 2.019 8.266 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.396 1.397 9.362 1.00 0.00 C ATOM 0 H PHE A 52 -2.367 -2.209 6.264 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.945 -2.036 4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.740 -0.206 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.488 -1.636 7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.658 -1.743 8.974 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.333 1.763 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.164 -0.441 10.466 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.835 3.066 8.071 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.741 1.963 10.007 1.00 0.00 H new ATOM 794 N ALA A 53 -4.280 0.362 4.066 1.00 0.00 N ATOM 795 CA ALA A 53 -3.767 1.471 3.280 1.00 0.00 C ATOM 796 C ALA A 53 -4.806 2.591 3.217 1.00 0.00 C ATOM 797 O ALA A 53 -5.962 2.393 3.594 1.00 0.00 O ATOM 798 CB ALA A 53 -3.422 0.972 1.876 1.00 0.00 C ATOM 0 H ALA A 53 -5.296 0.278 4.032 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.866 1.870 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.036 1.799 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.666 0.190 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.318 0.571 1.402 1.00 0.00 H new ATOM 804 N PHE A 54 -4.390 3.769 2.741 1.00 0.00 N ATOM 805 CA PHE A 54 -5.266 4.926 2.616 1.00 0.00 C ATOM 806 C PHE A 54 -5.059 5.631 1.285 1.00 0.00 C ATOM 807 O PHE A 54 -3.956 5.659 0.739 1.00 0.00 O ATOM 808 CB PHE A 54 -5.029 5.902 3.772 1.00 0.00 C ATOM 809 CG PHE A 54 -5.813 5.557 5.017 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.162 5.942 5.097 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.216 4.864 6.079 1.00 0.00 C ATOM 812 CE1 PHE A 54 -7.919 5.620 6.229 1.00 0.00 C ATOM 813 CE2 PHE A 54 -5.976 4.537 7.208 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.324 4.913 7.281 1.00 0.00 C ATOM 0 H PHE A 54 -3.433 3.942 2.432 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.296 4.572 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.966 5.917 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.297 6.908 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.616 6.488 4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.174 4.584 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.956 5.915 6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.523 3.994 8.024 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.907 4.656 8.153 1.00 0.00 H new ATOM 824 N VAL A 55 -6.146 6.209 0.769 1.00 0.00 N ATOM 825 CA VAL A 55 -6.135 6.977 -0.464 1.00 0.00 C ATOM 826 C VAL A 55 -7.011 8.206 -0.269 1.00 0.00 C ATOM 827 O VAL A 55 -8.210 8.089 -0.026 1.00 0.00 O ATOM 828 CB VAL A 55 -6.638 6.114 -1.624 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.772 6.967 -2.883 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.659 4.976 -1.901 1.00 0.00 C ATOM 0 H VAL A 55 -7.066 6.152 1.206 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.121 7.294 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.608 5.699 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.130 6.348 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.481 7.775 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.801 7.388 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.030 4.371 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.685 5.390 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.563 4.354 -1.011 1.00 0.00 H new ATOM 840 N GLN A 56 -6.405 9.385 -0.383 1.00 0.00 N ATOM 841 CA GLN A 56 -7.074 10.658 -0.197 1.00 0.00 C ATOM 842 C GLN A 56 -7.389 11.252 -1.571 1.00 0.00 C ATOM 843 O GLN A 56 -6.483 11.641 -2.309 1.00 0.00 O ATOM 844 CB GLN A 56 -6.147 11.556 0.626 1.00 0.00 C ATOM 845 CG GLN A 56 -6.671 12.979 0.821 1.00 0.00 C ATOM 846 CD GLN A 56 -7.944 12.999 1.650 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.900 12.969 2.877 1.00 0.00 O ATOM 848 NE2 GLN A 56 -9.087 13.050 0.978 1.00 0.00 N ATOM 0 H GLN A 56 -5.415 9.478 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.017 10.552 0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.991 11.100 1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.174 11.602 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.908 13.584 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.862 13.433 -0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.078 13.074 -0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.974 13.066 1.481 1.00 0.00 H new ATOM 857 N TYR A 57 -8.677 11.321 -1.911 1.00 0.00 N ATOM 858 CA TYR A 57 -9.126 11.906 -3.167 1.00 0.00 C ATOM 859 C TYR A 57 -9.370 13.404 -2.992 1.00 0.00 C ATOM 860 O TYR A 57 -9.135 13.959 -1.920 1.00 0.00 O ATOM 861 CB TYR A 57 -10.412 11.230 -3.644 1.00 0.00 C ATOM 862 CG TYR A 57 -10.270 9.810 -4.133 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.338 9.492 -5.131 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.102 8.815 -3.606 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.269 8.186 -5.639 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.043 7.508 -4.110 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.127 7.194 -5.129 1.00 0.00 C ATOM 868 OH TYR A 57 -10.074 5.928 -5.618 1.00 0.00 O ATOM 0 H TYR A 57 -9.434 10.973 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.348 11.752 -3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.130 11.241 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.837 11.830 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.672 10.254 -5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.791 9.055 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.561 7.943 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.699 6.745 -3.717 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.497 5.907 -6.410 1.00 0.00 H new ATOM 878 N VAL A 58 -9.848 14.055 -4.059 1.00 0.00 N ATOM 879 CA VAL A 58 -10.119 15.483 -4.047 1.00 0.00 C ATOM 880 C VAL A 58 -11.496 15.774 -3.450 1.00 0.00 C ATOM 881 O VAL A 58 -11.705 16.843 -2.882 1.00 0.00 O ATOM 882 CB VAL A 58 -10.029 16.031 -5.476 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.318 17.528 -5.526 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.624 15.809 -6.033 1.00 0.00 C ATOM 0 H VAL A 58 -10.055 13.601 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.374 15.977 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.774 15.500 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.244 17.879 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.323 17.717 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.593 18.059 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.569 16.201 -7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.898 16.325 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.401 14.742 -6.044 1.00 0.00 H new ATOM 894 N ASN A 59 -12.435 14.829 -3.574 1.00 0.00 N ATOM 895 CA ASN A 59 -13.804 15.012 -3.107 1.00 0.00 C ATOM 896 C ASN A 59 -14.446 13.684 -2.699 1.00 0.00 C ATOM 897 O ASN A 59 -13.867 12.615 -2.882 1.00 0.00 O ATOM 898 CB ASN A 59 -14.620 15.684 -4.215 1.00 0.00 C ATOM 899 CG ASN A 59 -14.663 14.833 -5.469 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.135 13.704 -5.443 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.174 15.366 -6.578 1.00 0.00 N ATOM 0 H ASN A 59 -12.262 13.919 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.789 15.645 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.635 15.864 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.186 16.656 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.183 14.832 -7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.788 16.310 -6.563 1.00 0.00 H new ATOM 908 N GLU A 60 -15.659 13.772 -2.146 1.00 0.00 N ATOM 909 CA GLU A 60 -16.407 12.616 -1.664 1.00 0.00 C ATOM 910 C GLU A 60 -16.857 11.728 -2.817 1.00 0.00 C ATOM 911 O GLU A 60 -16.869 10.505 -2.689 1.00 0.00 O ATOM 912 CB GLU A 60 -17.616 13.121 -0.869 1.00 0.00 C ATOM 913 CG GLU A 60 -18.651 12.019 -0.653 1.00 0.00 C ATOM 914 CD GLU A 60 -19.728 12.445 0.341 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.227 13.585 0.212 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.047 11.620 1.226 1.00 0.00 O ATOM 0 H GLU A 60 -16.150 14.657 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.765 12.010 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.283 13.502 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.077 13.955 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.115 11.764 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.155 11.119 -0.289 1.00 0.00 H new ATOM 923 N ARG A 61 -17.225 12.335 -3.944 1.00 0.00 N ATOM 924 CA ARG A 61 -17.710 11.615 -5.111 1.00 0.00 C ATOM 925 C ARG A 61 -16.670 10.590 -5.568 1.00 0.00 C ATOM 926 O ARG A 61 -17.018 9.472 -5.944 1.00 0.00 O ATOM 927 CB ARG A 61 -18.042 12.676 -6.171 1.00 0.00 C ATOM 928 CG ARG A 61 -17.684 12.300 -7.609 1.00 0.00 C ATOM 929 CD ARG A 61 -18.574 11.176 -8.127 1.00 0.00 C ATOM 930 NE ARG A 61 -18.202 10.791 -9.493 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.649 9.693 -10.107 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.483 8.861 -9.493 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.260 9.421 -11.349 1.00 0.00 N ATOM 0 H ARG A 61 -17.193 13.347 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.608 11.034 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.110 12.890 -6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.520 13.598 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.788 13.174 -8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.640 11.991 -7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.493 10.312 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.616 11.495 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.563 11.399 -10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.790 9.057 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.816 8.026 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.620 10.051 -11.833 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.601 8.582 -11.818 1.00 0.00 H new ATOM 947 N ASN A 62 -15.393 10.964 -5.532 1.00 0.00 N ATOM 948 CA ASN A 62 -14.311 10.082 -5.932 1.00 0.00 C ATOM 949 C ASN A 62 -14.171 8.925 -4.937 1.00 0.00 C ATOM 950 O ASN A 62 -13.849 7.801 -5.325 1.00 0.00 O ATOM 951 CB ASN A 62 -13.017 10.900 -6.012 1.00 0.00 C ATOM 952 CG ASN A 62 -12.909 11.709 -7.300 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.886 11.674 -7.971 1.00 0.00 O ATOM 954 ND2 ASN A 62 -13.953 12.444 -7.670 1.00 0.00 N ATOM 0 H ASN A 62 -15.085 11.886 -5.225 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.524 9.650 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.966 11.576 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.162 10.228 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.911 12.993 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.796 12.458 -7.096 1.00 0.00 H new ATOM 961 N ALA A 63 -14.413 9.188 -3.647 1.00 0.00 N ATOM 962 CA ALA A 63 -14.318 8.150 -2.633 1.00 0.00 C ATOM 963 C ALA A 63 -15.432 7.125 -2.796 1.00 0.00 C ATOM 964 O ALA A 63 -15.176 5.930 -2.681 1.00 0.00 O ATOM 965 CB ALA A 63 -14.352 8.777 -1.244 1.00 0.00 C ATOM 0 H ALA A 63 -14.674 10.107 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.370 7.627 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.280 7.994 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.513 9.464 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.287 9.322 -1.114 1.00 0.00 H new ATOM 971 N ARG A 64 -16.662 7.573 -3.070 1.00 0.00 N ATOM 972 CA ARG A 64 -17.787 6.667 -3.256 1.00 0.00 C ATOM 973 C ARG A 64 -17.567 5.806 -4.495 1.00 0.00 C ATOM 974 O ARG A 64 -18.100 4.705 -4.587 1.00 0.00 O ATOM 975 CB ARG A 64 -19.078 7.472 -3.428 1.00 0.00 C ATOM 976 CG ARG A 64 -19.407 8.393 -2.251 1.00 0.00 C ATOM 977 CD ARG A 64 -19.776 7.620 -0.986 1.00 0.00 C ATOM 978 NE ARG A 64 -20.062 8.556 0.108 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.432 8.200 1.341 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.586 6.923 1.676 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.652 9.144 2.248 1.00 0.00 N ATOM 0 H ARG A 64 -16.898 8.561 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.868 6.025 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.000 8.073 -4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.907 6.780 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.549 9.033 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.234 9.048 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.646 6.991 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.959 6.956 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.971 9.553 -0.088 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.421 6.191 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.869 6.675 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.538 10.127 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.935 8.887 3.194 1.00 0.00 H new ATOM 995 N ALA A 65 -16.780 6.304 -5.457 1.00 0.00 N ATOM 996 CA ALA A 65 -16.523 5.589 -6.694 1.00 0.00 C ATOM 997 C ALA A 65 -15.648 4.362 -6.451 1.00 0.00 C ATOM 998 O ALA A 65 -15.901 3.307 -7.026 1.00 0.00 O ATOM 999 CB ALA A 65 -15.832 6.534 -7.675 1.00 0.00 C ATOM 0 H ALA A 65 -16.311 7.207 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.472 5.245 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.634 6.008 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.477 7.390 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.891 6.879 -7.246 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.624 4.485 -5.601 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.746 3.355 -5.326 1.00 0.00 C ATOM 1007 C ALA A 66 -14.223 2.533 -4.128 1.00 0.00 C ATOM 1008 O ALA A 66 -13.956 1.334 -4.062 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.330 3.878 -5.101 1.00 0.00 C ATOM 0 H ALA A 66 -14.389 5.343 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.761 2.683 -6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.662 3.042 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.989 4.402 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.326 4.564 -4.254 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.927 3.164 -3.187 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.471 2.466 -2.029 1.00 0.00 C ATOM 1017 C VAL A 67 -16.612 1.543 -2.448 1.00 0.00 C ATOM 1018 O VAL A 67 -16.928 0.593 -1.737 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.893 3.493 -0.968 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.818 2.875 0.077 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.638 4.018 -0.273 1.00 0.00 C ATOM 0 H VAL A 67 -15.133 4.163 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.708 1.828 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.434 4.299 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.095 3.632 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.716 2.496 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.304 2.055 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.920 4.749 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.111 3.190 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.986 4.490 -1.008 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.228 1.811 -3.602 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.225 0.920 -4.177 1.00 0.00 C ATOM 1033 C ALA A 68 -17.718 0.238 -5.452 1.00 0.00 C ATOM 1034 O ALA A 68 -18.374 -0.670 -5.958 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.506 1.711 -4.443 1.00 0.00 C ATOM 0 H ALA A 68 -17.048 2.648 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.433 0.122 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.258 1.051 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.880 2.124 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.294 2.523 -5.139 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.562 0.661 -5.979 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.019 0.098 -7.206 1.00 0.00 C ATOM 1043 C GLY A 69 -14.972 -0.993 -6.972 1.00 0.00 C ATOM 1044 O GLY A 69 -14.807 -1.860 -7.825 1.00 0.00 O ATOM 0 H GLY A 69 -15.987 1.396 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.836 -0.315 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.571 0.898 -7.795 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.270 -0.964 -5.834 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.194 -1.912 -5.544 1.00 0.00 C ATOM 1050 C GLU A 70 -13.473 -2.729 -4.287 1.00 0.00 C ATOM 1051 O GLU A 70 -12.815 -3.741 -4.063 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.880 -1.144 -5.375 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.419 -0.474 -6.671 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.943 -1.504 -7.691 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.755 -1.882 -7.617 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.764 -1.915 -8.541 1.00 0.00 O ATOM 0 H GLU A 70 -14.433 -0.284 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.126 -2.608 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.004 -0.385 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.105 -1.828 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.239 0.107 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.612 0.225 -6.454 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.429 -2.320 -3.453 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.699 -3.038 -2.220 1.00 0.00 C ATOM 1065 C ASP A 71 -15.078 -4.492 -2.507 1.00 0.00 C ATOM 1066 O ASP A 71 -15.931 -4.764 -3.351 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.797 -2.316 -1.443 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.218 -3.121 -0.216 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.308 -3.579 0.511 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.442 -3.271 -0.016 1.00 0.00 O ATOM 0 H ASP A 71 -15.020 -1.504 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.796 -3.058 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.442 -1.333 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.659 -2.154 -2.090 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.437 -5.426 -1.796 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.712 -6.847 -1.930 1.00 0.00 C ATOM 1077 C GLY A 72 -13.946 -7.489 -3.087 1.00 0.00 C ATOM 1078 O GLY A 72 -14.260 -8.617 -3.465 1.00 0.00 O ATOM 0 H GLY A 72 -13.712 -5.210 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.450 -7.353 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.781 -6.993 -2.082 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.951 -6.794 -3.655 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.191 -7.333 -4.775 1.00 0.00 C ATOM 1084 C ARG A 73 -10.961 -8.094 -4.298 1.00 0.00 C ATOM 1085 O ARG A 73 -10.517 -7.908 -3.167 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.805 -6.230 -5.763 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.555 -5.453 -5.335 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.975 -4.701 -6.532 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.296 -5.629 -7.444 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.550 -5.255 -8.485 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.384 -3.967 -8.778 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.964 -6.177 -9.240 1.00 0.00 N ATOM 0 H ARG A 73 -12.660 -5.864 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.835 -8.040 -5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.633 -6.673 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.639 -5.536 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.807 -4.751 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.811 -6.139 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.772 -4.179 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.273 -3.943 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.402 -6.628 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.830 -3.252 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.811 -3.695 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.085 -7.166 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.393 -5.896 -10.037 1.00 0.00 H new ATOM 1106 N MET A 74 -10.407 -8.948 -5.156 1.00 0.00 N ATOM 1107 CA MET A 74 -9.186 -9.671 -4.842 1.00 0.00 C ATOM 1108 C MET A 74 -7.975 -8.987 -5.467 1.00 0.00 C ATOM 1109 O MET A 74 -8.029 -8.517 -6.605 1.00 0.00 O ATOM 1110 CB MET A 74 -9.306 -11.132 -5.280 1.00 0.00 C ATOM 1111 CG MET A 74 -7.966 -11.841 -5.082 1.00 0.00 C ATOM 1112 SD MET A 74 -8.088 -13.639 -4.936 1.00 0.00 S ATOM 1113 CE MET A 74 -8.806 -13.682 -3.275 1.00 0.00 C ATOM 0 H MET A 74 -10.790 -9.154 -6.078 1.00 0.00 H new ATOM 0 HA MET A 74 -9.039 -9.661 -3.762 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.082 -11.633 -4.701 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.605 -11.185 -6.327 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.314 -11.600 -5.921 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.489 -11.447 -4.184 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.333 -14.474 -2.695 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.641 -12.724 -2.782 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.877 -13.874 -3.346 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.882 -8.941 -4.701 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.596 -8.408 -5.124 1.00 0.00 C ATOM 1125 C ILE A 75 -4.509 -9.274 -4.489 1.00 0.00 C ATOM 1126 O ILE A 75 -4.607 -9.621 -3.314 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.449 -6.942 -4.692 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.660 -6.117 -5.152 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.153 -6.343 -5.248 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.604 -4.667 -4.675 1.00 0.00 C ATOM 0 H ILE A 75 -6.873 -9.286 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.512 -8.432 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.405 -6.911 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.714 -6.135 -6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.573 -6.582 -4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.067 -5.304 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.300 -6.909 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.168 -6.390 -6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.485 -4.133 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.580 -4.643 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.707 -4.189 -5.069 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.478 -9.623 -5.262 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.364 -10.447 -4.804 1.00 0.00 C ATOM 1144 C ALA A 76 -2.782 -11.771 -4.147 1.00 0.00 C ATOM 1145 O ALA A 76 -1.938 -12.438 -3.547 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.462 -9.622 -3.887 1.00 0.00 C ATOM 0 H ALA A 76 -3.395 -9.336 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.810 -10.749 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.630 -10.238 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.076 -8.762 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.036 -9.277 -3.027 1.00 0.00 H new ATOM 1152 N GLY A 77 -4.060 -12.168 -4.240 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.535 -13.432 -3.695 1.00 0.00 C ATOM 1154 C GLY A 77 -5.371 -13.273 -2.425 1.00 0.00 C ATOM 1155 O GLY A 77 -5.813 -14.276 -1.869 1.00 0.00 O ATOM 0 H GLY A 77 -4.787 -11.617 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.131 -13.943 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.678 -14.070 -3.479 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.596 -12.042 -1.955 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.463 -11.789 -0.808 1.00 0.00 C ATOM 1161 C GLN A 78 -7.498 -10.725 -1.161 1.00 0.00 C ATOM 1162 O GLN A 78 -7.299 -9.940 -2.084 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.660 -11.345 0.419 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.692 -12.413 0.940 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.244 -12.077 0.610 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.483 -11.653 1.476 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.848 -12.264 -0.643 1.00 0.00 N ATOM 0 H GLN A 78 -5.184 -11.201 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.967 -12.723 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.096 -10.447 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.352 -11.074 1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.805 -12.510 2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.949 -13.379 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.505 -12.618 -1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.886 -12.054 -0.911 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.603 -10.698 -0.415 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.634 -9.680 -0.586 1.00 0.00 C ATOM 1178 C VAL A 79 -9.433 -8.579 0.447 1.00 0.00 C ATOM 1179 O VAL A 79 -9.002 -8.840 1.567 1.00 0.00 O ATOM 1180 CB VAL A 79 -11.032 -10.297 -0.483 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.132 -9.240 -0.590 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.237 -11.310 -1.612 1.00 0.00 C ATOM 0 H VAL A 79 -8.806 -11.377 0.319 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.548 -9.244 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.098 -10.779 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.107 -9.721 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.019 -8.515 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.055 -8.730 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.233 -11.746 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.135 -10.808 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.489 -12.099 -1.533 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.758 -7.349 0.053 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.614 -6.176 0.900 1.00 0.00 C ATOM 1194 C LEU A 80 -10.977 -5.542 1.144 1.00 0.00 C ATOM 1195 O LEU A 80 -11.824 -5.487 0.253 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.600 -5.155 0.353 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.238 -5.208 -1.136 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.491 -6.489 -1.511 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.466 -5.017 -2.024 1.00 0.00 C ATOM 0 H LEU A 80 -10.132 -7.141 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.203 -6.510 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.987 -4.158 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.677 -5.267 0.922 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.559 -4.374 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.258 -6.476 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.566 -6.552 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.116 -7.353 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.168 -5.061 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.189 -5.806 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.918 -4.047 -1.816 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.175 -5.064 2.370 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.406 -4.419 2.772 1.00 0.00 C ATOM 1213 C ASP A 81 -12.219 -2.915 2.621 1.00 0.00 C ATOM 1214 O ASP A 81 -11.422 -2.317 3.342 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.718 -4.815 4.213 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.019 -4.185 4.700 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.089 -4.645 4.244 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -13.931 -3.250 5.526 1.00 0.00 O ATOM 0 H ASP A 81 -10.477 -5.117 3.112 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.248 -4.728 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.789 -5.900 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.898 -4.506 4.861 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.945 -2.306 1.683 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.804 -0.889 1.400 1.00 0.00 C ATOM 1225 C ILE A 82 -14.053 -0.151 1.869 1.00 0.00 C ATOM 1226 O ILE A 82 -15.169 -0.636 1.696 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.538 -0.692 -0.091 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.253 -1.423 -0.497 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.423 0.788 -0.432 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.192 -1.591 -2.012 1.00 0.00 C ATOM 0 H ILE A 82 -13.639 -2.781 1.106 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.955 -0.474 1.942 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.379 -1.108 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.384 -0.863 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.215 -2.400 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.234 0.902 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.353 1.294 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.600 1.228 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.274 -2.112 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.051 -2.171 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.207 -0.610 -2.488 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.859 1.027 2.462 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.947 1.812 3.012 1.00 0.00 C ATOM 1244 C ASN A 83 -14.542 3.281 3.072 1.00 0.00 C ATOM 1245 O ASN A 83 -13.367 3.606 2.915 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.260 1.275 4.411 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.586 1.800 4.937 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.635 1.225 4.672 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.556 2.895 5.688 1.00 0.00 N ATOM 0 H ASN A 83 -12.941 1.458 2.571 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.835 1.734 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.286 0.186 4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.460 1.558 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.423 3.281 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.666 3.350 5.890 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.503 4.180 3.301 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.177 5.577 3.535 1.00 0.00 C ATOM 1258 C LEU A 84 -14.377 5.678 4.837 1.00 0.00 C ATOM 1259 O LEU A 84 -14.410 4.763 5.660 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.448 6.422 3.631 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.449 7.551 2.598 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.949 7.042 1.248 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.366 8.663 3.098 1.00 0.00 C ATOM 0 H LEU A 84 -16.499 3.963 3.328 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.586 5.957 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.321 5.787 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.531 6.844 4.633 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.434 7.925 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.943 7.859 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.297 6.242 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.965 6.661 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.379 9.477 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.376 8.273 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.999 9.035 4.055 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.657 6.785 5.036 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.812 6.938 6.211 1.00 0.00 C ATOM 1277 C ALA A 85 -13.593 7.394 7.445 1.00 0.00 C ATOM 1278 O ALA A 85 -13.016 7.492 8.526 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.701 7.926 5.885 1.00 0.00 C ATOM 0 H ALA A 85 -13.646 7.582 4.399 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.394 5.963 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.058 8.052 6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.111 7.547 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.137 8.888 5.614 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.894 7.670 7.301 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.715 8.165 8.396 1.00 0.00 C ATOM 1287 C ALA A 86 -17.058 7.447 8.480 1.00 0.00 C ATOM 1288 O ALA A 86 -17.956 7.899 9.192 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.914 9.668 8.219 1.00 0.00 C ATOM 0 H ALA A 86 -15.400 7.555 6.423 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.199 7.964 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.528 10.052 9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.945 10.167 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.411 9.860 7.268 1.00 0.00 H new