USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 18 GLN : amide:sc= -0.202 K(o=-2.2,f=-9.7!) USER MOD Set 1.2: A 22 MET CE :methyl -109:sc= -0.742 (180deg=-0.563) USER MOD Set 1.3: A 29 MET CE :methyl 137:sc= -1.24 (180deg=-4.35!) USER MOD Set 2.1: A 8 MET CE :methyl -150:sc= -0.026 (180deg=0) USER MOD Set 2.2: A 9 ASN : amide:sc= -0.574 X(o=-0.6,f=-0.83) USER MOD Single : A 1 SER N :NH3+ 162:sc= 0.00369 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00742 USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.56 (180deg=1.53) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.05) USER MOD Single : A 24 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.026) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.775 F(o=-5.2!,f=-0.78) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.747 K(o=0.75,f=-8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= -0.0639 (180deg=-0.465) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= 0.388 K(o=0.39,f=-4.4!) USER MOD Single : A 65 MET CE :methyl -173:sc= -1.41 (180deg=-1.76) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.151 F(o=-0.79,f=-0.15) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -112:sc= 1.28 (180deg=0.57) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.706 -6.819 -17.771 1.00 0.00 N ATOM 2 CA SER A 1 1.240 -6.909 -17.612 1.00 0.00 C ATOM 3 C SER A 1 0.574 -5.560 -17.884 1.00 0.00 C ATOM 4 O SER A 1 -0.257 -5.447 -18.786 1.00 0.00 O ATOM 5 CB SER A 1 0.903 -7.395 -16.198 1.00 0.00 C ATOM 6 OG SER A 1 1.550 -8.628 -15.920 1.00 0.00 O ATOM 0 H1 SER A 1 3.157 -7.629 -17.299 1.00 0.00 H new ATOM 0 H2 SER A 1 2.947 -6.830 -18.783 1.00 0.00 H new ATOM 0 H3 SER A 1 3.048 -5.935 -17.343 1.00 0.00 H new ATOM 0 HA SER A 1 0.855 -7.624 -18.339 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.210 -6.646 -15.468 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.176 -7.515 -16.097 1.00 0.00 H new ATOM 0 HG SER A 1 1.323 -8.919 -15.012 1.00 0.00 H new ATOM 14 N ASP A 2 0.963 -4.543 -17.107 1.00 0.00 N ATOM 15 CA ASP A 2 0.381 -3.203 -17.200 1.00 0.00 C ATOM 16 C ASP A 2 -1.131 -3.243 -16.991 1.00 0.00 C ATOM 17 O ASP A 2 -1.913 -3.220 -17.944 1.00 0.00 O ATOM 18 CB ASP A 2 0.725 -2.532 -18.538 1.00 0.00 C ATOM 19 CG ASP A 2 0.186 -1.116 -18.635 1.00 0.00 C ATOM 20 OD1 ASP A 2 0.562 -0.270 -17.796 1.00 0.00 O ATOM 21 OD2 ASP A 2 -0.616 -0.840 -19.555 1.00 0.00 O ATOM 0 H ASP A 2 1.690 -4.628 -16.397 1.00 0.00 H new ATOM 0 HA ASP A 2 0.819 -2.603 -16.403 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.808 -2.514 -18.664 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.319 -3.129 -19.355 1.00 0.00 H new ATOM 26 N ARG A 3 -1.534 -3.334 -15.731 1.00 0.00 N ATOM 27 CA ARG A 3 -2.946 -3.372 -15.374 1.00 0.00 C ATOM 28 C ARG A 3 -3.637 -2.074 -15.762 1.00 0.00 C ATOM 29 O ARG A 3 -3.001 -1.024 -15.844 1.00 0.00 O ATOM 30 CB ARG A 3 -3.117 -3.617 -13.873 1.00 0.00 C ATOM 31 CG ARG A 3 -3.035 -5.079 -13.472 1.00 0.00 C ATOM 32 CD ARG A 3 -3.194 -5.246 -11.971 1.00 0.00 C ATOM 33 NE ARG A 3 -3.601 -6.602 -11.608 1.00 0.00 N ATOM 34 CZ ARG A 3 -3.281 -7.199 -10.465 1.00 0.00 C ATOM 35 NH1 ARG A 3 -2.451 -6.615 -9.610 1.00 0.00 N ATOM 36 NH2 ARG A 3 -3.773 -8.400 -10.191 1.00 0.00 N ATOM 0 H ARG A 3 -0.899 -3.383 -14.934 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.406 -4.194 -15.923 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.350 -3.060 -13.335 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.081 -3.218 -13.558 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.811 -5.644 -13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.077 -5.492 -13.787 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.252 -5.007 -11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.935 -4.535 -11.604 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.168 -7.124 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.054 -5.701 -9.828 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.210 -7.080 -8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.394 -8.861 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.530 -8.863 -9.315 1.00 0.00 H new ATOM 50 N VAL A 4 -4.933 -2.157 -16.018 1.00 0.00 N ATOM 51 CA VAL A 4 -5.726 -0.974 -16.319 1.00 0.00 C ATOM 52 C VAL A 4 -5.960 -0.179 -15.038 1.00 0.00 C ATOM 53 O VAL A 4 -6.118 -0.753 -13.962 1.00 0.00 O ATOM 54 CB VAL A 4 -7.086 -1.338 -16.946 1.00 0.00 C ATOM 55 CG1 VAL A 4 -7.796 -0.097 -17.464 1.00 0.00 C ATOM 56 CG2 VAL A 4 -6.912 -2.363 -18.059 1.00 0.00 C ATOM 0 H VAL A 4 -5.459 -3.031 -16.024 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.171 -0.377 -17.042 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.706 -1.782 -16.168 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.753 -0.381 -17.901 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.965 0.596 -16.640 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.179 0.385 -18.223 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.885 -2.605 -18.487 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.267 -1.951 -18.835 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.459 -3.268 -17.653 1.00 0.00 H new ATOM 66 N LYS A 5 -5.981 1.134 -15.155 1.00 0.00 N ATOM 67 CA LYS A 5 -6.108 1.993 -13.990 1.00 0.00 C ATOM 68 C LYS A 5 -7.503 2.597 -13.941 1.00 0.00 C ATOM 69 O LYS A 5 -7.784 3.573 -14.632 1.00 0.00 O ATOM 70 CB LYS A 5 -5.061 3.123 -14.018 1.00 0.00 C ATOM 71 CG LYS A 5 -3.612 2.660 -14.156 1.00 0.00 C ATOM 72 CD LYS A 5 -3.280 2.249 -15.585 1.00 0.00 C ATOM 73 CE LYS A 5 -1.834 1.802 -15.731 1.00 0.00 C ATOM 74 NZ LYS A 5 -1.588 1.185 -17.061 1.00 0.00 N ATOM 0 H LYS A 5 -5.912 1.631 -16.043 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.939 1.385 -13.102 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.293 3.792 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.154 3.706 -13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.943 3.462 -13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.434 1.819 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.942 1.439 -15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.469 3.087 -16.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.172 2.658 -15.597 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.592 1.086 -14.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.576 0.968 -17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.140 0.307 -17.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.876 1.847 -17.809 1.00 0.00 H new ATOM 88 N ARG A 6 -8.386 2.000 -13.156 1.00 0.00 N ATOM 89 CA ARG A 6 -9.739 2.522 -13.011 1.00 0.00 C ATOM 90 C ARG A 6 -9.956 3.096 -11.612 1.00 0.00 C ATOM 91 O ARG A 6 -9.434 2.567 -10.630 1.00 0.00 O ATOM 92 CB ARG A 6 -10.781 1.438 -13.306 1.00 0.00 C ATOM 93 CG ARG A 6 -10.595 0.158 -12.508 1.00 0.00 C ATOM 94 CD ARG A 6 -11.819 -0.740 -12.610 1.00 0.00 C ATOM 95 NE ARG A 6 -12.152 -1.089 -13.996 1.00 0.00 N ATOM 96 CZ ARG A 6 -13.377 -0.983 -14.511 1.00 0.00 C ATOM 97 NH1 ARG A 6 -14.348 -0.429 -13.799 1.00 0.00 N ATOM 98 NH2 ARG A 6 -13.618 -1.397 -15.750 1.00 0.00 N ATOM 0 H ARG A 6 -8.194 1.159 -12.612 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.863 3.325 -13.737 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.774 1.839 -13.101 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.748 1.198 -14.369 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.718 -0.376 -12.873 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.407 0.403 -11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.643 -1.653 -12.042 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.671 -0.239 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.404 -1.432 -14.599 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.158 -0.084 -12.858 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.286 -0.347 -14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.865 -1.797 -16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -14.556 -1.315 -16.142 1.00 0.00 H new ATOM 112 N PRO A 7 -10.724 4.191 -11.511 1.00 0.00 N ATOM 113 CA PRO A 7 -11.074 4.812 -10.232 1.00 0.00 C ATOM 114 C PRO A 7 -12.213 4.074 -9.534 1.00 0.00 C ATOM 115 O PRO A 7 -13.137 3.580 -10.186 1.00 0.00 O ATOM 116 CB PRO A 7 -11.519 6.230 -10.624 1.00 0.00 C ATOM 117 CG PRO A 7 -11.312 6.339 -12.104 1.00 0.00 C ATOM 118 CD PRO A 7 -11.304 4.937 -12.631 1.00 0.00 C ATOM 0 HA PRO A 7 -10.240 4.796 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.564 6.396 -10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.935 6.982 -10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.108 6.924 -12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.373 6.845 -12.329 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.307 4.588 -12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.704 4.845 -13.536 1.00 0.00 H new ATOM 126 N MET A 8 -12.140 3.998 -8.212 1.00 0.00 N ATOM 127 CA MET A 8 -13.130 3.276 -7.427 1.00 0.00 C ATOM 128 C MET A 8 -13.301 3.951 -6.068 1.00 0.00 C ATOM 129 O MET A 8 -12.531 4.843 -5.719 1.00 0.00 O ATOM 130 CB MET A 8 -12.696 1.817 -7.261 1.00 0.00 C ATOM 131 CG MET A 8 -13.799 0.889 -6.775 1.00 0.00 C ATOM 132 SD MET A 8 -15.279 0.959 -7.806 1.00 0.00 S ATOM 133 CE MET A 8 -16.275 -0.329 -7.056 1.00 0.00 C ATOM 0 H MET A 8 -11.400 4.431 -7.659 1.00 0.00 H new ATOM 0 HA MET A 8 -14.089 3.293 -7.944 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.323 1.450 -8.217 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.865 1.775 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.424 -0.134 -6.755 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.063 1.152 -5.751 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.919 -0.778 -7.812 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.623 -1.094 -6.634 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.890 0.101 -6.265 1.00 0.00 H new ATOM 143 N ASN A 9 -14.322 3.546 -5.319 1.00 0.00 N ATOM 144 CA ASN A 9 -14.566 4.090 -3.986 1.00 0.00 C ATOM 145 C ASN A 9 -13.421 3.735 -3.036 1.00 0.00 C ATOM 146 O ASN A 9 -12.767 2.700 -3.196 1.00 0.00 O ATOM 147 CB ASN A 9 -15.901 3.572 -3.431 1.00 0.00 C ATOM 148 CG ASN A 9 -15.924 2.071 -3.215 1.00 0.00 C ATOM 149 OD1 ASN A 9 -16.147 1.302 -4.149 1.00 0.00 O ATOM 150 ND2 ASN A 9 -15.725 1.645 -1.980 1.00 0.00 N ATOM 0 H ASN A 9 -14.997 2.840 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.619 5.176 -4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.110 4.071 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.702 3.845 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.753 0.646 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.543 2.315 -1.233 1.00 0.00 H new ATOM 157 N ALA A 10 -13.218 4.597 -2.040 1.00 0.00 N ATOM 158 CA ALA A 10 -12.101 4.511 -1.097 1.00 0.00 C ATOM 159 C ALA A 10 -11.839 3.104 -0.548 1.00 0.00 C ATOM 160 O ALA A 10 -10.685 2.685 -0.486 1.00 0.00 O ATOM 161 CB ALA A 10 -12.378 5.458 0.058 1.00 0.00 C ATOM 0 H ALA A 10 -13.836 5.389 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.201 4.785 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.557 5.409 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.470 6.476 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.306 5.169 0.551 1.00 0.00 H new ATOM 167 N PHE A 11 -12.882 2.381 -0.145 1.00 0.00 N ATOM 168 CA PHE A 11 -12.698 1.054 0.457 1.00 0.00 C ATOM 169 C PHE A 11 -11.884 0.135 -0.455 1.00 0.00 C ATOM 170 O PHE A 11 -10.893 -0.468 -0.028 1.00 0.00 O ATOM 171 CB PHE A 11 -14.049 0.401 0.772 1.00 0.00 C ATOM 172 CG PHE A 11 -13.919 -0.979 1.358 1.00 0.00 C ATOM 173 CD1 PHE A 11 -13.530 -1.150 2.677 1.00 0.00 C ATOM 174 CD2 PHE A 11 -14.179 -2.103 0.591 1.00 0.00 C ATOM 175 CE1 PHE A 11 -13.396 -2.413 3.218 1.00 0.00 C ATOM 176 CE2 PHE A 11 -14.047 -3.370 1.129 1.00 0.00 C ATOM 177 CZ PHE A 11 -13.656 -3.524 2.445 1.00 0.00 C ATOM 0 H PHE A 11 -13.853 2.683 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.147 1.197 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.597 1.034 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.641 0.346 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.329 -0.284 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.488 -1.989 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.088 -2.530 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.250 -4.239 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.554 -4.513 2.867 1.00 0.00 H new ATOM 187 N MET A 12 -12.286 0.049 -1.714 1.00 0.00 N ATOM 188 CA MET A 12 -11.599 -0.809 -2.673 1.00 0.00 C ATOM 189 C MET A 12 -10.210 -0.254 -2.940 1.00 0.00 C ATOM 190 O MET A 12 -9.232 -0.999 -3.038 1.00 0.00 O ATOM 191 CB MET A 12 -12.389 -0.902 -3.982 1.00 0.00 C ATOM 192 CG MET A 12 -13.820 -1.388 -3.803 1.00 0.00 C ATOM 193 SD MET A 12 -13.911 -3.027 -3.063 1.00 0.00 S ATOM 194 CE MET A 12 -15.684 -3.236 -2.932 1.00 0.00 C ATOM 0 H MET A 12 -13.081 0.560 -2.097 1.00 0.00 H new ATOM 0 HA MET A 12 -11.517 -1.812 -2.254 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.405 0.079 -4.456 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.869 -1.576 -4.662 1.00 0.00 H new ATOM 0 HG2 MET A 12 -14.364 -0.681 -3.177 1.00 0.00 H new ATOM 0 HG3 MET A 12 -14.318 -1.404 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.904 -4.208 -2.490 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.098 -2.449 -2.302 1.00 0.00 H new ATOM 0 HE3 MET A 12 -16.131 -3.179 -3.924 1.00 0.00 H new ATOM 204 N VAL A 13 -10.147 1.069 -3.010 1.00 0.00 N ATOM 205 CA VAL A 13 -8.910 1.798 -3.223 1.00 0.00 C ATOM 206 C VAL A 13 -7.860 1.393 -2.211 1.00 0.00 C ATOM 207 O VAL A 13 -6.757 1.007 -2.571 1.00 0.00 O ATOM 208 CB VAL A 13 -9.141 3.317 -3.107 1.00 0.00 C ATOM 209 CG1 VAL A 13 -7.823 4.064 -3.158 1.00 0.00 C ATOM 210 CG2 VAL A 13 -10.062 3.799 -4.210 1.00 0.00 C ATOM 0 H VAL A 13 -10.965 1.671 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.562 1.555 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.614 3.518 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.008 5.135 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.189 3.740 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.323 3.855 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.214 4.874 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.613 3.582 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.022 3.288 -4.132 1.00 0.00 H new ATOM 220 N TRP A 14 -8.226 1.466 -0.944 1.00 0.00 N ATOM 221 CA TRP A 14 -7.307 1.158 0.133 1.00 0.00 C ATOM 222 C TRP A 14 -6.875 -0.296 0.074 1.00 0.00 C ATOM 223 O TRP A 14 -5.746 -0.611 0.403 1.00 0.00 O ATOM 224 CB TRP A 14 -7.952 1.464 1.474 1.00 0.00 C ATOM 225 CG TRP A 14 -7.008 1.399 2.642 1.00 0.00 C ATOM 226 CD1 TRP A 14 -5.811 2.052 2.781 1.00 0.00 C ATOM 227 CD2 TRP A 14 -7.200 0.660 3.852 1.00 0.00 C ATOM 228 NE1 TRP A 14 -5.248 1.747 3.997 1.00 0.00 N ATOM 229 CE2 TRP A 14 -6.080 0.899 4.672 1.00 0.00 C ATOM 230 CE3 TRP A 14 -8.206 -0.188 4.319 1.00 0.00 C ATOM 231 CZ2 TRP A 14 -5.945 0.325 5.931 1.00 0.00 C ATOM 232 CZ3 TRP A 14 -8.071 -0.753 5.571 1.00 0.00 C ATOM 233 CH2 TRP A 14 -6.947 -0.495 6.364 1.00 0.00 C ATOM 0 H TRP A 14 -9.160 1.738 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.420 1.781 0.018 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.393 2.460 1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.768 0.760 1.641 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.375 2.709 2.044 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.354 2.097 4.340 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.074 -0.398 3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.078 0.521 6.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.846 -1.405 5.945 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.871 -0.954 7.339 1.00 0.00 H new ATOM 244 N SER A 15 -7.757 -1.175 -0.376 1.00 0.00 N ATOM 245 CA SER A 15 -7.422 -2.585 -0.450 1.00 0.00 C ATOM 246 C SER A 15 -6.258 -2.793 -1.423 1.00 0.00 C ATOM 247 O SER A 15 -5.189 -3.300 -1.050 1.00 0.00 O ATOM 248 CB SER A 15 -8.652 -3.400 -0.876 1.00 0.00 C ATOM 249 OG SER A 15 -8.436 -4.790 -0.697 1.00 0.00 O ATOM 0 H SER A 15 -8.698 -0.940 -0.691 1.00 0.00 H new ATOM 0 HA SER A 15 -7.112 -2.934 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.518 -3.086 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.881 -3.197 -1.922 1.00 0.00 H new ATOM 0 HG SER A 15 -9.236 -5.284 -0.975 1.00 0.00 H new ATOM 255 N ARG A 16 -6.444 -2.333 -2.652 1.00 0.00 N ATOM 256 CA ARG A 16 -5.437 -2.533 -3.688 1.00 0.00 C ATOM 257 C ARG A 16 -4.270 -1.558 -3.528 1.00 0.00 C ATOM 258 O ARG A 16 -3.133 -1.866 -3.888 1.00 0.00 O ATOM 259 CB ARG A 16 -6.068 -2.405 -5.079 1.00 0.00 C ATOM 260 CG ARG A 16 -6.858 -1.125 -5.293 1.00 0.00 C ATOM 261 CD ARG A 16 -7.587 -1.143 -6.629 1.00 0.00 C ATOM 262 NE ARG A 16 -8.519 -2.271 -6.733 1.00 0.00 N ATOM 263 CZ ARG A 16 -8.768 -2.938 -7.865 1.00 0.00 C ATOM 264 NH1 ARG A 16 -8.174 -2.581 -8.997 1.00 0.00 N ATOM 265 NH2 ARG A 16 -9.621 -3.954 -7.864 1.00 0.00 N ATOM 0 H ARG A 16 -7.274 -1.823 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.039 -3.542 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.279 -2.461 -5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.727 -3.257 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.578 -1.000 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.185 -0.269 -5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.134 -0.209 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.859 -1.199 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.008 -2.565 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.524 -1.795 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.367 -3.093 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.088 -4.227 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.810 -4.462 -8.728 1.00 0.00 H new ATOM 279 N GLY A 17 -4.555 -0.394 -2.969 1.00 0.00 N ATOM 280 CA GLY A 17 -3.538 0.618 -2.783 1.00 0.00 C ATOM 281 C GLY A 17 -2.631 0.316 -1.613 1.00 0.00 C ATOM 282 O GLY A 17 -1.417 0.510 -1.701 1.00 0.00 O ATOM 0 H GLY A 17 -5.483 -0.130 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.940 0.699 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.016 1.585 -2.628 1.00 0.00 H new ATOM 286 N GLN A 18 -3.212 -0.169 -0.516 1.00 0.00 N ATOM 287 CA GLN A 18 -2.433 -0.513 0.666 1.00 0.00 C ATOM 288 C GLN A 18 -1.463 -1.626 0.319 1.00 0.00 C ATOM 289 O GLN A 18 -0.268 -1.519 0.592 1.00 0.00 O ATOM 290 CB GLN A 18 -3.341 -0.948 1.825 1.00 0.00 C ATOM 291 CG GLN A 18 -2.871 -0.492 3.202 1.00 0.00 C ATOM 292 CD GLN A 18 -1.544 -1.093 3.612 1.00 0.00 C ATOM 293 OE1 GLN A 18 -1.217 -2.215 3.243 1.00 0.00 O ATOM 294 NE2 GLN A 18 -0.771 -0.346 4.382 1.00 0.00 N ATOM 0 H GLN A 18 -4.215 -0.331 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.883 0.371 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.344 -0.559 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.416 -2.035 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.787 0.595 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.626 -0.757 3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.080 0.583 4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.135 -0.699 4.691 1.00 0.00 H new ATOM 303 N ARG A 19 -1.965 -2.683 -0.323 1.00 0.00 N ATOM 304 CA ARG A 19 -1.097 -3.790 -0.696 1.00 0.00 C ATOM 305 C ARG A 19 -0.018 -3.317 -1.673 1.00 0.00 C ATOM 306 O ARG A 19 1.084 -3.853 -1.686 1.00 0.00 O ATOM 307 CB ARG A 19 -1.879 -4.975 -1.279 1.00 0.00 C ATOM 308 CG ARG A 19 -2.340 -4.795 -2.714 1.00 0.00 C ATOM 309 CD ARG A 19 -2.612 -6.142 -3.365 1.00 0.00 C ATOM 310 NE ARG A 19 -1.432 -7.008 -3.305 1.00 0.00 N ATOM 311 CZ ARG A 19 -1.428 -8.297 -3.648 1.00 0.00 C ATOM 312 NH1 ARG A 19 -2.530 -8.875 -4.104 1.00 0.00 N ATOM 313 NH2 ARG A 19 -0.313 -9.008 -3.540 1.00 0.00 N ATOM 0 H ARG A 19 -2.944 -2.791 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.617 -4.146 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.254 -5.866 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.752 -5.158 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.243 -4.186 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.579 -4.259 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.449 -6.628 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.905 -5.994 -4.404 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.556 -6.599 -2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.390 -8.334 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.518 -9.861 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.540 -8.569 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.309 -9.994 -3.802 1.00 0.00 H new ATOM 327 N ARG A 20 -0.344 -2.316 -2.495 1.00 0.00 N ATOM 328 CA ARG A 20 0.631 -1.733 -3.413 1.00 0.00 C ATOM 329 C ARG A 20 1.780 -1.085 -2.643 1.00 0.00 C ATOM 330 O ARG A 20 2.944 -1.454 -2.814 1.00 0.00 O ATOM 331 CB ARG A 20 -0.031 -0.682 -4.316 1.00 0.00 C ATOM 332 CG ARG A 20 0.935 -0.023 -5.295 1.00 0.00 C ATOM 333 CD ARG A 20 0.284 1.119 -6.069 1.00 0.00 C ATOM 334 NE ARG A 20 -0.023 2.275 -5.220 1.00 0.00 N ATOM 335 CZ ARG A 20 0.641 3.431 -5.267 1.00 0.00 C ATOM 336 NH1 ARG A 20 1.666 3.590 -6.097 1.00 0.00 N ATOM 337 NH2 ARG A 20 0.268 4.437 -4.493 1.00 0.00 N ATOM 0 H ARG A 20 -1.272 -1.896 -2.542 1.00 0.00 H new ATOM 0 HA ARG A 20 1.025 -2.539 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.838 -1.153 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.484 0.088 -3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.799 0.357 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.304 -0.771 -5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.948 1.431 -6.875 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.634 0.760 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.790 2.190 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.952 2.824 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.167 4.478 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.526 4.328 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.774 5.322 -4.527 1.00 0.00 H new ATOM 351 N LYS A 21 1.447 -0.133 -1.780 1.00 0.00 N ATOM 352 CA LYS A 21 2.461 0.608 -1.037 1.00 0.00 C ATOM 353 C LYS A 21 3.225 -0.304 -0.073 1.00 0.00 C ATOM 354 O LYS A 21 4.440 -0.174 0.072 1.00 0.00 O ATOM 355 CB LYS A 21 1.825 1.796 -0.304 1.00 0.00 C ATOM 356 CG LYS A 21 0.759 1.413 0.712 1.00 0.00 C ATOM 357 CD LYS A 21 -0.379 2.424 0.745 1.00 0.00 C ATOM 358 CE LYS A 21 0.113 3.835 1.021 1.00 0.00 C ATOM 359 NZ LYS A 21 -0.995 4.825 0.974 1.00 0.00 N ATOM 0 H LYS A 21 0.487 0.144 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 21 3.188 0.999 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.610 2.355 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.383 2.467 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.363 0.427 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.210 1.340 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.907 2.405 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.097 2.135 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.589 3.869 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.873 4.105 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.605 5.786 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.509 4.729 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.647 4.654 1.765 1.00 0.00 H new ATOM 373 N MET A 22 2.523 -1.249 0.548 1.00 0.00 N ATOM 374 CA MET A 22 3.151 -2.197 1.464 1.00 0.00 C ATOM 375 C MET A 22 4.089 -3.143 0.721 1.00 0.00 C ATOM 376 O MET A 22 5.139 -3.514 1.244 1.00 0.00 O ATOM 377 CB MET A 22 2.087 -2.997 2.213 1.00 0.00 C ATOM 378 CG MET A 22 2.672 -4.052 3.136 1.00 0.00 C ATOM 379 SD MET A 22 1.428 -4.887 4.129 1.00 0.00 S ATOM 380 CE MET A 22 0.864 -3.548 5.173 1.00 0.00 C ATOM 0 H MET A 22 1.518 -1.378 0.433 1.00 0.00 H new ATOM 0 HA MET A 22 3.740 -1.627 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.472 -2.313 2.797 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.429 -3.480 1.491 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.209 -4.790 2.540 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.402 -3.584 3.797 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.212 -3.711 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.261 -2.604 4.800 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.225 -3.513 5.163 1.00 0.00 H new ATOM 390 N ALA A 23 3.719 -3.520 -0.503 1.00 0.00 N ATOM 391 CA ALA A 23 4.552 -4.402 -1.318 1.00 0.00 C ATOM 392 C ALA A 23 5.889 -3.744 -1.628 1.00 0.00 C ATOM 393 O ALA A 23 6.911 -4.416 -1.741 1.00 0.00 O ATOM 394 CB ALA A 23 3.846 -4.778 -2.611 1.00 0.00 C ATOM 0 H ALA A 23 2.850 -3.229 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 23 4.732 -5.312 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.488 -5.435 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.914 -5.294 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.629 -3.876 -3.183 1.00 0.00 H new ATOM 400 N GLN A 24 5.867 -2.426 -1.776 1.00 0.00 N ATOM 401 CA GLN A 24 7.087 -1.662 -1.992 1.00 0.00 C ATOM 402 C GLN A 24 7.858 -1.479 -0.688 1.00 0.00 C ATOM 403 O GLN A 24 9.086 -1.517 -0.675 1.00 0.00 O ATOM 404 CB GLN A 24 6.767 -0.298 -2.611 1.00 0.00 C ATOM 405 CG GLN A 24 6.865 -0.270 -4.130 1.00 0.00 C ATOM 406 CD GLN A 24 6.045 -1.349 -4.808 1.00 0.00 C ATOM 407 OE1 GLN A 24 6.535 -2.451 -5.067 1.00 0.00 O ATOM 408 NE2 GLN A 24 4.796 -1.042 -5.103 1.00 0.00 N ATOM 0 H GLN A 24 5.016 -1.864 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 24 7.714 -2.224 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.760 -0.004 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.449 0.446 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.536 0.705 -4.490 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.909 -0.382 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.429 -0.119 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.197 -1.728 -5.563 1.00 0.00 H new ATOM 417 N GLU A 25 7.134 -1.281 0.408 1.00 0.00 N ATOM 418 CA GLU A 25 7.761 -1.090 1.715 1.00 0.00 C ATOM 419 C GLU A 25 8.400 -2.384 2.212 1.00 0.00 C ATOM 420 O GLU A 25 9.567 -2.407 2.608 1.00 0.00 O ATOM 421 CB GLU A 25 6.728 -0.623 2.747 1.00 0.00 C ATOM 422 CG GLU A 25 6.142 0.752 2.477 1.00 0.00 C ATOM 423 CD GLU A 25 5.091 1.142 3.500 1.00 0.00 C ATOM 424 OE1 GLU A 25 5.456 1.723 4.542 1.00 0.00 O ATOM 425 OE2 GLU A 25 3.897 0.864 3.271 1.00 0.00 O ATOM 0 H GLU A 25 6.115 -1.248 0.420 1.00 0.00 H new ATOM 0 HA GLU A 25 8.533 -0.330 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.916 -1.349 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.195 -0.618 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.942 1.492 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.699 0.766 1.481 1.00 0.00 H new ATOM 432 N ASN A 26 7.632 -3.462 2.165 1.00 0.00 N ATOM 433 CA ASN A 26 8.026 -4.720 2.791 1.00 0.00 C ATOM 434 C ASN A 26 7.104 -5.858 2.354 1.00 0.00 C ATOM 435 O ASN A 26 6.097 -6.152 3.000 1.00 0.00 O ATOM 436 CB ASN A 26 8.056 -4.595 4.332 1.00 0.00 C ATOM 437 CG ASN A 26 6.722 -4.212 4.980 1.00 0.00 C ATOM 438 OD1 ASN A 26 5.880 -3.477 4.268 1.00 0.00 O flip ATOM 439 ND2 ASN A 26 6.460 -4.581 6.124 1.00 0.00 N flip ATOM 0 H ASN A 26 6.726 -3.493 1.697 1.00 0.00 H new ATOM 0 HA ASN A 26 9.037 -4.955 2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.386 -5.545 4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.802 -3.849 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.131 -5.146 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.571 -4.322 6.553 1.00 0.00 H new ATOM 446 N PRO A 27 7.426 -6.496 1.222 1.00 0.00 N ATOM 447 CA PRO A 27 6.595 -7.558 0.650 1.00 0.00 C ATOM 448 C PRO A 27 6.680 -8.867 1.435 1.00 0.00 C ATOM 449 O PRO A 27 7.171 -9.878 0.931 1.00 0.00 O ATOM 450 CB PRO A 27 7.167 -7.732 -0.757 1.00 0.00 C ATOM 451 CG PRO A 27 8.593 -7.316 -0.641 1.00 0.00 C ATOM 452 CD PRO A 27 8.629 -6.236 0.406 1.00 0.00 C ATOM 0 HA PRO A 27 5.537 -7.298 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.082 -8.765 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.633 -7.116 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.222 -8.158 -0.354 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.970 -6.947 -1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.538 -6.290 1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.601 -5.243 -0.043 1.00 0.00 H new ATOM 460 N LYS A 28 6.211 -8.843 2.674 1.00 0.00 N ATOM 461 CA LYS A 28 6.168 -10.044 3.495 1.00 0.00 C ATOM 462 C LYS A 28 4.767 -10.641 3.481 1.00 0.00 C ATOM 463 O LYS A 28 4.593 -11.853 3.579 1.00 0.00 O ATOM 464 CB LYS A 28 6.571 -9.719 4.939 1.00 0.00 C ATOM 465 CG LYS A 28 6.442 -10.902 5.890 1.00 0.00 C ATOM 466 CD LYS A 28 6.546 -10.476 7.344 1.00 0.00 C ATOM 467 CE LYS A 28 7.933 -9.966 7.680 1.00 0.00 C ATOM 468 NZ LYS A 28 8.043 -9.565 9.107 1.00 0.00 N ATOM 0 H LYS A 28 5.855 -8.005 3.133 1.00 0.00 H new ATOM 0 HA LYS A 28 6.872 -10.767 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.602 -9.367 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.951 -8.900 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.485 -11.398 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.221 -11.632 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.812 -9.696 7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.302 -11.320 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.668 -10.741 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.171 -9.114 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.006 -9.222 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.359 -8.808 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.841 -10.385 9.714 1.00 0.00 H new ATOM 482 N MET A 29 3.769 -9.788 3.320 1.00 0.00 N ATOM 483 CA MET A 29 2.387 -10.233 3.346 1.00 0.00 C ATOM 484 C MET A 29 1.820 -10.271 1.936 1.00 0.00 C ATOM 485 O MET A 29 1.980 -9.325 1.168 1.00 0.00 O ATOM 486 CB MET A 29 1.556 -9.339 4.270 1.00 0.00 C ATOM 487 CG MET A 29 1.852 -9.585 5.743 1.00 0.00 C ATOM 488 SD MET A 29 0.945 -8.490 6.853 1.00 0.00 S ATOM 489 CE MET A 29 1.843 -6.961 6.619 1.00 0.00 C ATOM 0 H MET A 29 3.890 -8.786 3.170 1.00 0.00 H new ATOM 0 HA MET A 29 2.345 -11.246 3.746 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.754 -8.294 4.033 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.497 -9.513 4.082 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.608 -10.619 5.986 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.921 -9.460 5.916 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.138 -6.134 6.537 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.502 -6.792 7.470 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.437 -7.024 5.707 1.00 0.00 H new ATOM 499 N HIS A 30 1.180 -11.380 1.592 1.00 0.00 N ATOM 500 CA HIS A 30 0.730 -11.602 0.225 1.00 0.00 C ATOM 501 C HIS A 30 -0.692 -11.098 0.009 1.00 0.00 C ATOM 502 O HIS A 30 -0.898 -10.021 -0.544 1.00 0.00 O ATOM 503 CB HIS A 30 0.811 -13.088 -0.133 1.00 0.00 C ATOM 504 CG HIS A 30 2.187 -13.672 -0.021 1.00 0.00 C ATOM 505 ND1 HIS A 30 3.150 -13.520 -0.990 1.00 0.00 N ATOM 506 CD2 HIS A 30 2.754 -14.421 0.954 1.00 0.00 C ATOM 507 CE1 HIS A 30 4.248 -14.153 -0.621 1.00 0.00 C ATOM 508 NE2 HIS A 30 4.034 -14.710 0.558 1.00 0.00 N ATOM 0 H HIS A 30 0.961 -12.138 2.239 1.00 0.00 H new ATOM 0 HA HIS A 30 1.393 -11.036 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.138 -13.645 0.519 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.452 -13.225 -1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.284 -14.733 1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.166 -14.207 -1.187 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.709 -15.263 1.086 1.00 0.00 H new ATOM 517 N ASN A 31 -1.671 -11.873 0.459 1.00 0.00 N ATOM 518 CA ASN A 31 -3.071 -11.566 0.184 1.00 0.00 C ATOM 519 C ASN A 31 -3.948 -11.735 1.422 1.00 0.00 C ATOM 520 O ASN A 31 -4.580 -10.779 1.867 1.00 0.00 O ATOM 521 CB ASN A 31 -3.587 -12.428 -0.980 1.00 0.00 C ATOM 522 CG ASN A 31 -3.089 -13.866 -0.944 1.00 0.00 C ATOM 523 OD1 ASN A 31 -2.880 -14.451 0.123 1.00 0.00 O ATOM 524 ND2 ASN A 31 -2.861 -14.431 -2.114 1.00 0.00 N ATOM 0 H ASN A 31 -1.523 -12.716 1.014 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.130 -10.517 -0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.677 -12.430 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.283 -11.971 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.499 -15.384 -2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.046 -13.915 -2.974 1.00 0.00 H new ATOM 531 N SER A 32 -3.974 -12.942 1.985 1.00 0.00 N ATOM 532 CA SER A 32 -4.801 -13.237 3.154 1.00 0.00 C ATOM 533 C SER A 32 -4.539 -12.237 4.279 1.00 0.00 C ATOM 534 O SER A 32 -5.470 -11.658 4.838 1.00 0.00 O ATOM 535 CB SER A 32 -4.524 -14.664 3.640 1.00 0.00 C ATOM 536 OG SER A 32 -5.303 -14.992 4.781 1.00 0.00 O ATOM 0 H SER A 32 -3.429 -13.735 1.648 1.00 0.00 H new ATOM 0 HA SER A 32 -5.848 -13.152 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.739 -15.370 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.466 -14.767 3.880 1.00 0.00 H new ATOM 0 HG SER A 32 -5.102 -15.909 5.062 1.00 0.00 H new ATOM 542 N GLU A 33 -3.262 -12.009 4.561 1.00 0.00 N ATOM 543 CA GLU A 33 -2.851 -11.102 5.626 1.00 0.00 C ATOM 544 C GLU A 33 -3.427 -9.717 5.391 1.00 0.00 C ATOM 545 O GLU A 33 -4.085 -9.144 6.265 1.00 0.00 O ATOM 546 CB GLU A 33 -1.326 -11.022 5.681 1.00 0.00 C ATOM 547 CG GLU A 33 -0.653 -12.364 5.906 1.00 0.00 C ATOM 548 CD GLU A 33 -1.040 -12.988 7.227 1.00 0.00 C ATOM 549 OE1 GLU A 33 -0.525 -12.537 8.269 1.00 0.00 O ATOM 550 OE2 GLU A 33 -1.855 -13.932 7.226 1.00 0.00 O ATOM 0 H GLU A 33 -2.486 -12.444 4.062 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.227 -11.485 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.959 -10.593 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.035 -10.341 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.920 -13.042 5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.429 -12.235 5.871 1.00 0.00 H new ATOM 557 N ILE A 34 -3.190 -9.204 4.191 1.00 0.00 N ATOM 558 CA ILE A 34 -3.690 -7.902 3.783 1.00 0.00 C ATOM 559 C ILE A 34 -5.200 -7.819 3.986 1.00 0.00 C ATOM 560 O ILE A 34 -5.717 -6.823 4.481 1.00 0.00 O ATOM 561 CB ILE A 34 -3.363 -7.630 2.298 1.00 0.00 C ATOM 562 CG1 ILE A 34 -1.867 -7.820 2.030 1.00 0.00 C ATOM 563 CG2 ILE A 34 -3.799 -6.229 1.895 1.00 0.00 C ATOM 564 CD1 ILE A 34 -0.974 -6.931 2.869 1.00 0.00 C ATOM 0 H ILE A 34 -2.645 -9.681 3.473 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.200 -7.150 4.402 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.917 -8.349 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.604 -8.861 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.669 -7.625 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.558 -6.061 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.874 -6.126 2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.277 -5.495 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.069 -7.125 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.207 -5.886 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.141 -7.141 3.925 1.00 0.00 H new ATOM 576 N SER A 35 -5.896 -8.898 3.656 1.00 0.00 N ATOM 577 CA SER A 35 -7.350 -8.896 3.704 1.00 0.00 C ATOM 578 C SER A 35 -7.834 -8.919 5.149 1.00 0.00 C ATOM 579 O SER A 35 -8.831 -8.278 5.501 1.00 0.00 O ATOM 580 CB SER A 35 -7.898 -10.100 2.933 1.00 0.00 C ATOM 581 OG SER A 35 -9.305 -10.016 2.768 1.00 0.00 O ATOM 0 H SER A 35 -5.481 -9.779 3.354 1.00 0.00 H new ATOM 0 HA SER A 35 -7.718 -7.983 3.236 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.419 -10.156 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.647 -11.018 3.464 1.00 0.00 H new ATOM 0 HG SER A 35 -9.623 -10.798 2.271 1.00 0.00 H new ATOM 587 N LYS A 36 -7.096 -9.627 5.993 1.00 0.00 N ATOM 588 CA LYS A 36 -7.498 -9.830 7.375 1.00 0.00 C ATOM 589 C LYS A 36 -7.327 -8.544 8.174 1.00 0.00 C ATOM 590 O LYS A 36 -8.257 -8.075 8.842 1.00 0.00 O ATOM 591 CB LYS A 36 -6.661 -10.952 7.992 1.00 0.00 C ATOM 592 CG LYS A 36 -7.304 -11.617 9.199 1.00 0.00 C ATOM 593 CD LYS A 36 -8.650 -12.227 8.834 1.00 0.00 C ATOM 594 CE LYS A 36 -9.137 -13.205 9.891 1.00 0.00 C ATOM 595 NZ LYS A 36 -8.239 -14.384 10.006 1.00 0.00 N ATOM 0 H LYS A 36 -6.213 -10.071 5.742 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.551 -10.111 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.472 -11.710 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.693 -10.548 8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.643 -12.392 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.437 -10.884 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.386 -11.433 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.568 -12.740 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.198 -12.699 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.144 -13.538 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.793 -15.256 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.503 -14.333 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.792 -14.390 10.945 1.00 0.00 H new ATOM 609 N ARG A 37 -6.139 -7.968 8.069 1.00 0.00 N ATOM 610 CA ARG A 37 -5.795 -6.770 8.817 1.00 0.00 C ATOM 611 C ARG A 37 -6.596 -5.562 8.339 1.00 0.00 C ATOM 612 O ARG A 37 -7.168 -4.845 9.155 1.00 0.00 O ATOM 613 CB ARG A 37 -4.292 -6.500 8.716 1.00 0.00 C ATOM 614 CG ARG A 37 -3.455 -7.494 9.504 1.00 0.00 C ATOM 615 CD ARG A 37 -1.967 -7.312 9.245 1.00 0.00 C ATOM 616 NE ARG A 37 -1.150 -8.106 10.165 1.00 0.00 N ATOM 617 CZ ARG A 37 -0.828 -9.390 9.975 1.00 0.00 C ATOM 618 NH1 ARG A 37 -1.258 -10.036 8.900 1.00 0.00 N ATOM 619 NH2 ARG A 37 -0.083 -10.027 10.869 1.00 0.00 N ATOM 0 H ARG A 37 -5.392 -8.315 7.468 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.053 -6.938 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.993 -6.532 7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.085 -5.493 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.656 -7.374 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.749 -8.509 9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.740 -7.599 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.707 -6.258 9.346 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.803 -7.649 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.837 -9.554 8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.009 -11.015 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.244 -9.537 11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.162 -11.006 10.724 1.00 0.00 H new ATOM 633 N LEU A 38 -6.661 -5.359 7.023 1.00 0.00 N ATOM 634 CA LEU A 38 -7.369 -4.210 6.455 1.00 0.00 C ATOM 635 C LEU A 38 -8.835 -4.179 6.884 1.00 0.00 C ATOM 636 O LEU A 38 -9.354 -3.126 7.258 1.00 0.00 O ATOM 637 CB LEU A 38 -7.265 -4.206 4.925 1.00 0.00 C ATOM 638 CG LEU A 38 -6.105 -3.387 4.343 1.00 0.00 C ATOM 639 CD1 LEU A 38 -4.763 -3.865 4.873 1.00 0.00 C ATOM 640 CD2 LEU A 38 -6.135 -3.449 2.824 1.00 0.00 C ATOM 0 H LEU A 38 -6.233 -5.974 6.331 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.888 -3.312 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.167 -5.236 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.199 -3.821 4.516 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.230 -2.351 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.965 -3.262 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.744 -3.766 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.616 -4.910 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.308 -2.865 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.040 -4.485 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.079 -3.041 2.462 1.00 0.00 H new ATOM 652 N GLY A 39 -9.492 -5.332 6.847 1.00 0.00 N ATOM 653 CA GLY A 39 -10.877 -5.405 7.275 1.00 0.00 C ATOM 654 C GLY A 39 -11.050 -4.980 8.719 1.00 0.00 C ATOM 655 O GLY A 39 -11.939 -4.188 9.047 1.00 0.00 O ATOM 0 H GLY A 39 -9.093 -6.215 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.488 -4.769 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.241 -6.425 7.152 1.00 0.00 H new ATOM 659 N ALA A 40 -10.179 -5.489 9.580 1.00 0.00 N ATOM 660 CA ALA A 40 -10.209 -5.146 10.993 1.00 0.00 C ATOM 661 C ALA A 40 -9.917 -3.662 11.205 1.00 0.00 C ATOM 662 O ALA A 40 -10.529 -3.020 12.057 1.00 0.00 O ATOM 663 CB ALA A 40 -9.218 -6.001 11.761 1.00 0.00 C ATOM 0 H ALA A 40 -9.441 -6.144 9.322 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.211 -5.346 11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.250 -5.735 12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.478 -7.053 11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.213 -5.830 11.374 1.00 0.00 H new ATOM 669 N GLU A 41 -8.998 -3.118 10.408 1.00 0.00 N ATOM 670 CA GLU A 41 -8.612 -1.712 10.526 1.00 0.00 C ATOM 671 C GLU A 41 -9.761 -0.795 10.121 1.00 0.00 C ATOM 672 O GLU A 41 -9.949 0.271 10.707 1.00 0.00 O ATOM 673 CB GLU A 41 -7.378 -1.412 9.669 1.00 0.00 C ATOM 674 CG GLU A 41 -6.135 -2.189 10.078 1.00 0.00 C ATOM 675 CD GLU A 41 -5.645 -1.841 11.468 1.00 0.00 C ATOM 676 OE1 GLU A 41 -6.306 -2.225 12.454 1.00 0.00 O ATOM 677 OE2 GLU A 41 -4.582 -1.199 11.585 1.00 0.00 O ATOM 0 H GLU A 41 -8.507 -3.629 9.674 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.367 -1.523 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.608 -1.637 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.161 -0.345 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.350 -3.257 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.339 -1.993 9.359 1.00 0.00 H new ATOM 684 N TRP A 42 -10.527 -1.215 9.117 1.00 0.00 N ATOM 685 CA TRP A 42 -11.695 -0.461 8.666 1.00 0.00 C ATOM 686 C TRP A 42 -12.750 -0.383 9.764 1.00 0.00 C ATOM 687 O TRP A 42 -13.417 0.642 9.925 1.00 0.00 O ATOM 688 CB TRP A 42 -12.279 -1.085 7.396 1.00 0.00 C ATOM 689 CG TRP A 42 -13.494 -0.370 6.891 1.00 0.00 C ATOM 690 CD1 TRP A 42 -14.755 -0.508 7.368 1.00 0.00 C ATOM 691 CD2 TRP A 42 -13.572 0.586 5.824 1.00 0.00 C ATOM 692 NE1 TRP A 42 -15.622 0.297 6.674 1.00 0.00 N ATOM 693 CE2 TRP A 42 -14.920 0.974 5.714 1.00 0.00 C ATOM 694 CE3 TRP A 42 -12.638 1.148 4.950 1.00 0.00 C ATOM 695 CZ2 TRP A 42 -15.357 1.899 4.770 1.00 0.00 C ATOM 696 CZ3 TRP A 42 -13.075 2.065 4.011 1.00 0.00 C ATOM 697 CH2 TRP A 42 -14.422 2.432 3.927 1.00 0.00 C ATOM 0 H TRP A 42 -10.359 -2.077 8.598 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.376 0.555 8.434 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.517 -1.087 6.617 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.535 -2.126 7.595 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -15.038 -1.161 8.181 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -16.624 0.378 6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.595 0.872 5.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -16.396 2.185 4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.362 2.506 3.330 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -14.729 3.150 3.182 1.00 0.00 H new ATOM 708 N LYS A 43 -12.890 -1.452 10.530 1.00 0.00 N ATOM 709 CA LYS A 43 -13.873 -1.482 11.607 1.00 0.00 C ATOM 710 C LYS A 43 -13.515 -0.499 12.727 1.00 0.00 C ATOM 711 O LYS A 43 -14.369 -0.115 13.524 1.00 0.00 O ATOM 712 CB LYS A 43 -14.018 -2.894 12.152 1.00 0.00 C ATOM 713 CG LYS A 43 -14.480 -3.882 11.095 1.00 0.00 C ATOM 714 CD LYS A 43 -14.880 -5.199 11.712 1.00 0.00 C ATOM 715 CE LYS A 43 -15.020 -6.287 10.657 1.00 0.00 C ATOM 716 NZ LYS A 43 -15.593 -7.540 11.217 1.00 0.00 N ATOM 0 H LYS A 43 -12.341 -2.306 10.430 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.831 -1.167 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.062 -3.223 12.558 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.731 -2.890 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.324 -3.463 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.680 -4.045 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.135 -5.498 12.449 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.824 -5.082 12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.657 -5.928 9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.043 -6.498 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.671 -8.253 10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.973 -7.899 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.537 -7.346 11.608 1.00 0.00 H new ATOM 730 N LEU A 44 -12.249 -0.100 12.782 1.00 0.00 N ATOM 731 CA LEU A 44 -11.787 0.889 13.756 1.00 0.00 C ATOM 732 C LEU A 44 -11.258 2.134 13.044 1.00 0.00 C ATOM 733 O LEU A 44 -10.407 2.853 13.573 1.00 0.00 O ATOM 734 CB LEU A 44 -10.682 0.304 14.646 1.00 0.00 C ATOM 735 CG LEU A 44 -11.140 -0.690 15.725 1.00 0.00 C ATOM 736 CD1 LEU A 44 -11.501 -2.041 15.128 1.00 0.00 C ATOM 737 CD2 LEU A 44 -10.062 -0.850 16.784 1.00 0.00 C ATOM 0 H LEU A 44 -11.519 -0.447 12.161 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.637 1.164 14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.954 -0.195 14.006 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.164 1.128 15.136 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.039 -0.285 16.189 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.820 -2.716 15.922 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.312 -1.917 14.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.631 -2.460 14.623 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.399 -1.557 17.542 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.149 -1.223 16.320 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.864 0.115 17.250 1.00 0.00 H new ATOM 749 N LEU A 45 -11.783 2.391 11.853 1.00 0.00 N ATOM 750 CA LEU A 45 -11.271 3.456 10.997 1.00 0.00 C ATOM 751 C LEU A 45 -11.846 4.816 11.384 1.00 0.00 C ATOM 752 O LEU A 45 -13.066 4.982 11.472 1.00 0.00 O ATOM 753 CB LEU A 45 -11.620 3.163 9.537 1.00 0.00 C ATOM 754 CG LEU A 45 -10.917 4.040 8.508 1.00 0.00 C ATOM 755 CD1 LEU A 45 -9.456 3.637 8.383 1.00 0.00 C ATOM 756 CD2 LEU A 45 -11.627 3.953 7.166 1.00 0.00 C ATOM 0 H LEU A 45 -12.567 1.874 11.455 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.189 3.491 11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.380 2.121 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.697 3.274 9.409 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.955 5.077 8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.965 4.271 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.962 3.754 9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.392 2.596 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.114 4.585 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.620 2.920 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.657 4.291 7.277 1.00 0.00 H new ATOM 768 N SER A 46 -10.962 5.781 11.608 1.00 0.00 N ATOM 769 CA SER A 46 -11.362 7.152 11.909 1.00 0.00 C ATOM 770 C SER A 46 -11.447 7.988 10.624 1.00 0.00 C ATOM 771 O SER A 46 -10.966 7.567 9.570 1.00 0.00 O ATOM 772 CB SER A 46 -10.359 7.778 12.877 1.00 0.00 C ATOM 773 OG SER A 46 -10.203 6.980 14.038 1.00 0.00 O ATOM 0 H SER A 46 -9.952 5.637 11.587 1.00 0.00 H new ATOM 0 HA SER A 46 -12.349 7.135 12.371 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.396 7.896 12.381 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.696 8.775 13.160 1.00 0.00 H new ATOM 0 HG SER A 46 -9.555 7.402 14.640 1.00 0.00 H new ATOM 779 N GLU A 47 -12.043 9.178 10.715 1.00 0.00 N ATOM 780 CA GLU A 47 -12.171 10.062 9.557 1.00 0.00 C ATOM 781 C GLU A 47 -10.813 10.622 9.158 1.00 0.00 C ATOM 782 O GLU A 47 -10.551 10.856 7.980 1.00 0.00 O ATOM 783 CB GLU A 47 -13.143 11.215 9.841 1.00 0.00 C ATOM 784 CG GLU A 47 -13.386 12.097 8.624 1.00 0.00 C ATOM 785 CD GLU A 47 -14.112 13.388 8.945 1.00 0.00 C ATOM 786 OE1 GLU A 47 -13.437 14.378 9.309 1.00 0.00 O ATOM 787 OE2 GLU A 47 -15.353 13.427 8.811 1.00 0.00 O ATOM 0 H GLU A 47 -12.443 9.550 11.576 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.570 9.469 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.094 10.806 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.748 11.825 10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.428 12.334 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.965 11.537 7.890 1.00 0.00 H new ATOM 794 N THR A 48 -9.946 10.830 10.141 1.00 0.00 N ATOM 795 CA THR A 48 -8.590 11.290 9.874 1.00 0.00 C ATOM 796 C THR A 48 -7.870 10.298 8.957 1.00 0.00 C ATOM 797 O THR A 48 -7.000 10.671 8.170 1.00 0.00 O ATOM 798 CB THR A 48 -7.791 11.504 11.187 1.00 0.00 C ATOM 799 OG1 THR A 48 -6.547 12.164 10.913 1.00 0.00 O ATOM 800 CG2 THR A 48 -7.523 10.185 11.903 1.00 0.00 C ATOM 0 H THR A 48 -10.158 10.688 11.129 1.00 0.00 H new ATOM 0 HA THR A 48 -8.653 12.255 9.371 1.00 0.00 H new ATOM 0 HB THR A 48 -8.399 12.129 11.841 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.054 12.294 11.750 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.962 10.375 12.818 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.470 9.707 12.152 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.945 9.529 11.252 1.00 0.00 H new ATOM 808 N GLU A 49 -8.264 9.034 9.053 1.00 0.00 N ATOM 809 CA GLU A 49 -7.686 7.979 8.238 1.00 0.00 C ATOM 810 C GLU A 49 -8.351 7.914 6.860 1.00 0.00 C ATOM 811 O GLU A 49 -7.834 7.268 5.956 1.00 0.00 O ATOM 812 CB GLU A 49 -7.825 6.634 8.946 1.00 0.00 C ATOM 813 CG GLU A 49 -7.135 6.580 10.297 1.00 0.00 C ATOM 814 CD GLU A 49 -7.381 5.275 11.022 1.00 0.00 C ATOM 815 OE1 GLU A 49 -6.610 4.316 10.816 1.00 0.00 O ATOM 816 OE2 GLU A 49 -8.352 5.199 11.802 1.00 0.00 O ATOM 0 H GLU A 49 -8.989 8.715 9.695 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.629 8.205 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.884 6.412 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.414 5.853 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.063 6.719 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.487 7.407 10.914 1.00 0.00 H new ATOM 823 N LYS A 50 -9.496 8.587 6.707 1.00 0.00 N ATOM 824 CA LYS A 50 -10.217 8.597 5.428 1.00 0.00 C ATOM 825 C LYS A 50 -9.419 9.321 4.348 1.00 0.00 C ATOM 826 O LYS A 50 -9.613 9.084 3.159 1.00 0.00 O ATOM 827 CB LYS A 50 -11.578 9.286 5.547 1.00 0.00 C ATOM 828 CG LYS A 50 -12.625 8.522 6.337 1.00 0.00 C ATOM 829 CD LYS A 50 -13.938 9.293 6.345 1.00 0.00 C ATOM 830 CE LYS A 50 -14.940 8.716 7.332 1.00 0.00 C ATOM 831 NZ LYS A 50 -15.417 7.365 6.942 1.00 0.00 N ATOM 0 H LYS A 50 -9.942 9.129 7.447 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.359 7.552 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.434 10.260 6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.964 9.467 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.776 7.536 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.279 8.366 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.743 10.336 6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.370 9.282 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.482 8.664 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.794 9.389 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.097 7.020 7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.880 7.415 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.609 6.713 6.892 1.00 0.00 H new ATOM 845 N ARG A 51 -8.530 10.211 4.773 1.00 0.00 N ATOM 846 CA ARG A 51 -7.803 11.078 3.845 1.00 0.00 C ATOM 847 C ARG A 51 -6.991 10.285 2.811 1.00 0.00 C ATOM 848 O ARG A 51 -7.175 10.486 1.610 1.00 0.00 O ATOM 849 CB ARG A 51 -6.902 12.067 4.601 1.00 0.00 C ATOM 850 CG ARG A 51 -7.623 13.300 5.143 1.00 0.00 C ATOM 851 CD ARG A 51 -8.674 12.954 6.192 1.00 0.00 C ATOM 852 NE ARG A 51 -8.613 13.854 7.346 1.00 0.00 N ATOM 853 CZ ARG A 51 -9.665 14.186 8.096 1.00 0.00 C ATOM 854 NH1 ARG A 51 -10.890 13.835 7.730 1.00 0.00 N ATOM 855 NH2 ARG A 51 -9.494 14.901 9.198 1.00 0.00 N ATOM 0 H ARG A 51 -8.293 10.354 5.755 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.555 11.644 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.429 11.544 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.104 12.393 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.892 13.981 5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.100 13.829 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.666 13.007 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.529 11.926 6.525 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.707 14.253 7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.033 13.307 6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.689 14.093 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.558 15.198 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.299 15.155 9.771 1.00 0.00 H new ATOM 869 N PRO A 52 -6.086 9.373 3.229 1.00 0.00 N ATOM 870 CA PRO A 52 -5.262 8.616 2.279 1.00 0.00 C ATOM 871 C PRO A 52 -6.076 7.672 1.408 1.00 0.00 C ATOM 872 O PRO A 52 -5.621 7.256 0.346 1.00 0.00 O ATOM 873 CB PRO A 52 -4.283 7.832 3.160 1.00 0.00 C ATOM 874 CG PRO A 52 -4.370 8.464 4.510 1.00 0.00 C ATOM 875 CD PRO A 52 -5.759 9.021 4.621 1.00 0.00 C ATOM 0 HA PRO A 52 -4.766 9.284 1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.552 6.776 3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.269 7.887 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.180 7.733 5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.625 9.252 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.457 8.288 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.794 9.891 5.276 1.00 0.00 H new ATOM 883 N PHE A 53 -7.277 7.340 1.855 1.00 0.00 N ATOM 884 CA PHE A 53 -8.206 6.592 1.025 1.00 0.00 C ATOM 885 C PHE A 53 -8.497 7.371 -0.241 1.00 0.00 C ATOM 886 O PHE A 53 -8.563 6.820 -1.340 1.00 0.00 O ATOM 887 CB PHE A 53 -9.522 6.368 1.755 1.00 0.00 C ATOM 888 CG PHE A 53 -9.526 5.216 2.707 1.00 0.00 C ATOM 889 CD1 PHE A 53 -9.044 5.363 3.994 1.00 0.00 C ATOM 890 CD2 PHE A 53 -10.033 3.993 2.318 1.00 0.00 C ATOM 891 CE1 PHE A 53 -9.069 4.309 4.881 1.00 0.00 C ATOM 892 CE2 PHE A 53 -10.059 2.933 3.202 1.00 0.00 C ATOM 893 CZ PHE A 53 -9.578 3.091 4.485 1.00 0.00 C ATOM 0 H PHE A 53 -7.629 7.575 2.783 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.750 5.630 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.775 7.275 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.308 6.213 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.643 6.315 4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.412 3.864 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.691 4.437 5.884 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.456 1.979 2.889 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.600 2.262 5.177 1.00 0.00 H new ATOM 903 N ILE A 54 -8.646 8.672 -0.068 1.00 0.00 N ATOM 904 CA ILE A 54 -9.053 9.536 -1.153 1.00 0.00 C ATOM 905 C ILE A 54 -7.826 9.893 -1.988 1.00 0.00 C ATOM 906 O ILE A 54 -7.895 10.020 -3.207 1.00 0.00 O ATOM 907 CB ILE A 54 -9.725 10.826 -0.622 1.00 0.00 C ATOM 908 CG1 ILE A 54 -10.886 10.478 0.325 1.00 0.00 C ATOM 909 CG2 ILE A 54 -10.213 11.690 -1.777 1.00 0.00 C ATOM 910 CD1 ILE A 54 -11.989 9.664 -0.324 1.00 0.00 C ATOM 0 H ILE A 54 -8.490 9.152 0.819 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.784 9.009 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.984 11.395 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.493 9.923 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.312 11.402 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.682 12.592 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.368 11.966 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.939 11.131 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.770 9.460 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.412 10.224 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.579 8.722 -0.690 1.00 0.00 H new ATOM 922 N ASP A 55 -6.696 10.038 -1.301 1.00 0.00 N ATOM 923 CA ASP A 55 -5.418 10.328 -1.948 1.00 0.00 C ATOM 924 C ASP A 55 -5.010 9.187 -2.868 1.00 0.00 C ATOM 925 O ASP A 55 -4.685 9.405 -4.036 1.00 0.00 O ATOM 926 CB ASP A 55 -4.331 10.556 -0.894 1.00 0.00 C ATOM 927 CG ASP A 55 -2.964 10.778 -1.513 1.00 0.00 C ATOM 928 OD1 ASP A 55 -2.282 9.785 -1.828 1.00 0.00 O ATOM 929 OD2 ASP A 55 -2.566 11.952 -1.679 1.00 0.00 O ATOM 0 H ASP A 55 -6.639 9.958 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.535 11.233 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.595 11.420 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.289 9.695 -0.227 1.00 0.00 H new ATOM 934 N GLU A 56 -5.037 7.970 -2.330 1.00 0.00 N ATOM 935 CA GLU A 56 -4.735 6.771 -3.097 1.00 0.00 C ATOM 936 C GLU A 56 -5.657 6.709 -4.321 1.00 0.00 C ATOM 937 O GLU A 56 -5.223 6.395 -5.427 1.00 0.00 O ATOM 938 CB GLU A 56 -4.937 5.536 -2.209 1.00 0.00 C ATOM 939 CG GLU A 56 -4.228 4.278 -2.691 1.00 0.00 C ATOM 940 CD GLU A 56 -2.741 4.278 -2.377 1.00 0.00 C ATOM 941 OE1 GLU A 56 -2.366 4.621 -1.234 1.00 0.00 O ATOM 942 OE2 GLU A 56 -1.943 3.920 -3.266 1.00 0.00 O ATOM 0 H GLU A 56 -5.268 7.791 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.699 6.794 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.589 5.769 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.005 5.329 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.691 3.406 -2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.367 4.179 -3.768 1.00 0.00 H new ATOM 949 N ALA A 57 -6.930 7.053 -4.110 1.00 0.00 N ATOM 950 CA ALA A 57 -7.913 7.096 -5.190 1.00 0.00 C ATOM 951 C ALA A 57 -7.542 8.139 -6.240 1.00 0.00 C ATOM 952 O ALA A 57 -7.576 7.863 -7.441 1.00 0.00 O ATOM 953 CB ALA A 57 -9.298 7.388 -4.631 1.00 0.00 C ATOM 0 H ALA A 57 -7.303 7.307 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.920 6.119 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.021 7.417 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.578 6.606 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.289 8.351 -4.120 1.00 0.00 H new ATOM 959 N LYS A 58 -7.187 9.337 -5.781 1.00 0.00 N ATOM 960 CA LYS A 58 -6.771 10.412 -6.678 1.00 0.00 C ATOM 961 C LYS A 58 -5.560 9.993 -7.493 1.00 0.00 C ATOM 962 O LYS A 58 -5.478 10.284 -8.681 1.00 0.00 O ATOM 963 CB LYS A 58 -6.440 11.687 -5.901 1.00 0.00 C ATOM 964 CG LYS A 58 -7.644 12.363 -5.268 1.00 0.00 C ATOM 965 CD LYS A 58 -7.255 13.675 -4.602 1.00 0.00 C ATOM 966 CE LYS A 58 -6.273 13.452 -3.461 1.00 0.00 C ATOM 967 NZ LYS A 58 -5.811 14.730 -2.861 1.00 0.00 N ATOM 0 H LYS A 58 -7.179 9.588 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.606 10.616 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.721 11.445 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.954 12.393 -6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.401 12.550 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.092 11.697 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.810 14.341 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.149 14.171 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.745 12.841 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.412 12.893 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.144 14.530 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.337 15.303 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.628 15.253 -2.486 1.00 0.00 H new ATOM 981 N ARG A 59 -4.628 9.307 -6.846 1.00 0.00 N ATOM 982 CA ARG A 59 -3.427 8.833 -7.515 1.00 0.00 C ATOM 983 C ARG A 59 -3.755 7.750 -8.542 1.00 0.00 C ATOM 984 O ARG A 59 -3.168 7.722 -9.619 1.00 0.00 O ATOM 985 CB ARG A 59 -2.407 8.336 -6.493 1.00 0.00 C ATOM 986 CG ARG A 59 -1.643 9.472 -5.832 1.00 0.00 C ATOM 987 CD ARG A 59 -0.693 8.976 -4.760 1.00 0.00 C ATOM 988 NE ARG A 59 0.417 9.908 -4.560 1.00 0.00 N ATOM 989 CZ ARG A 59 0.916 10.238 -3.369 1.00 0.00 C ATOM 990 NH1 ARG A 59 0.283 9.883 -2.259 1.00 0.00 N ATOM 991 NH2 ARG A 59 2.006 10.991 -3.292 1.00 0.00 N ATOM 0 H ARG A 59 -4.682 9.066 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.986 9.671 -8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.919 7.753 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.702 7.666 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.080 10.018 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.350 10.175 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.235 8.846 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.303 7.998 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 59 0.837 10.333 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.588 9.356 -2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.668 10.137 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.462 11.317 -4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.388 11.244 -2.381 1.00 0.00 H new ATOM 1005 N LEU A 60 -4.705 6.878 -8.215 1.00 0.00 N ATOM 1006 CA LEU A 60 -5.167 5.861 -9.160 1.00 0.00 C ATOM 1007 C LEU A 60 -5.827 6.523 -10.370 1.00 0.00 C ATOM 1008 O LEU A 60 -5.575 6.148 -11.520 1.00 0.00 O ATOM 1009 CB LEU A 60 -6.151 4.899 -8.484 1.00 0.00 C ATOM 1010 CG LEU A 60 -5.557 4.033 -7.369 1.00 0.00 C ATOM 1011 CD1 LEU A 60 -6.633 3.147 -6.753 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -4.407 3.190 -7.901 1.00 0.00 C ATOM 0 H LEU A 60 -5.169 6.854 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.302 5.290 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.975 5.480 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.573 4.243 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.167 4.691 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.194 2.538 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.423 3.771 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.053 2.497 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.998 2.582 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.770 2.540 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.628 3.844 -8.293 1.00 0.00 H new ATOM 1024 N ARG A 61 -6.657 7.524 -10.108 1.00 0.00 N ATOM 1025 CA ARG A 61 -7.308 8.273 -11.174 1.00 0.00 C ATOM 1026 C ARG A 61 -6.267 9.066 -11.959 1.00 0.00 C ATOM 1027 O ARG A 61 -6.376 9.220 -13.175 1.00 0.00 O ATOM 1028 CB ARG A 61 -8.376 9.210 -10.605 1.00 0.00 C ATOM 1029 CG ARG A 61 -9.201 9.908 -11.674 1.00 0.00 C ATOM 1030 CD ARG A 61 -10.277 10.784 -11.058 1.00 0.00 C ATOM 1031 NE ARG A 61 -11.142 11.390 -12.068 1.00 0.00 N ATOM 1032 CZ ARG A 61 -12.320 11.953 -11.796 1.00 0.00 C ATOM 1033 NH1 ARG A 61 -12.774 11.997 -10.548 1.00 0.00 N ATOM 1034 NH2 ARG A 61 -13.046 12.470 -12.776 1.00 0.00 N ATOM 0 H ARG A 61 -6.895 7.836 -9.167 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.800 7.569 -11.846 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.042 8.639 -9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.893 9.962 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.548 10.516 -12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.663 9.164 -12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.882 10.187 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.808 11.569 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.826 11.382 -13.038 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.221 11.598 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.676 12.429 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.704 12.437 -13.736 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.947 12.901 -12.570 1.00 0.00 H new ATOM 1048 N ALA A 62 -5.250 9.549 -11.253 1.00 0.00 N ATOM 1049 CA ALA A 62 -4.147 10.269 -11.876 1.00 0.00 C ATOM 1050 C ALA A 62 -3.361 9.355 -12.803 1.00 0.00 C ATOM 1051 O ALA A 62 -2.777 9.815 -13.780 1.00 0.00 O ATOM 1052 CB ALA A 62 -3.223 10.870 -10.825 1.00 0.00 C ATOM 0 H ALA A 62 -5.168 9.453 -10.241 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.572 11.081 -12.465 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.409 11.402 -11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.785 11.565 -10.201 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.813 10.074 -10.203 1.00 0.00 H new ATOM 1058 N LEU A 63 -3.343 8.066 -12.487 1.00 0.00 N ATOM 1059 CA LEU A 63 -2.717 7.073 -13.343 1.00 0.00 C ATOM 1060 C LEU A 63 -3.524 6.866 -14.608 1.00 0.00 C ATOM 1061 O LEU A 63 -2.963 6.616 -15.676 1.00 0.00 O ATOM 1062 CB LEU A 63 -2.537 5.746 -12.602 1.00 0.00 C ATOM 1063 CG LEU A 63 -1.596 5.790 -11.398 1.00 0.00 C ATOM 1064 CD1 LEU A 63 -1.581 4.445 -10.690 1.00 0.00 C ATOM 1065 CD2 LEU A 63 -0.192 6.183 -11.833 1.00 0.00 C ATOM 0 H LEU A 63 -3.759 7.685 -11.637 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.731 7.446 -13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.515 5.402 -12.265 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.163 5.003 -13.307 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.960 6.543 -10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.907 4.491 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.587 4.204 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.239 3.674 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.464 6.209 -10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.184 5.453 -12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.218 7.168 -12.298 1.00 0.00 H new ATOM 1077 N HIS A 64 -4.837 6.982 -14.498 1.00 0.00 N ATOM 1078 CA HIS A 64 -5.677 6.871 -15.671 1.00 0.00 C ATOM 1079 C HIS A 64 -5.561 8.137 -16.510 1.00 0.00 C ATOM 1080 O HIS A 64 -5.587 8.081 -17.737 1.00 0.00 O ATOM 1081 CB HIS A 64 -7.143 6.614 -15.291 1.00 0.00 C ATOM 1082 CG HIS A 64 -8.032 6.219 -16.443 1.00 0.00 C ATOM 1083 ND1 HIS A 64 -7.757 6.514 -17.765 1.00 0.00 N ATOM 1084 CD2 HIS A 64 -9.198 5.527 -16.458 1.00 0.00 C ATOM 1085 CE1 HIS A 64 -8.710 6.023 -18.533 1.00 0.00 C ATOM 1086 NE2 HIS A 64 -9.593 5.420 -17.767 1.00 0.00 N ATOM 0 H HIS A 64 -5.334 7.150 -13.623 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.334 6.017 -16.256 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.176 5.827 -14.538 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.548 7.515 -14.829 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.943 7.032 -18.096 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.719 5.133 -15.598 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.757 6.103 -19.609 1.00 0.00 H new ATOM 1095 N MET A 65 -5.428 9.277 -15.842 1.00 0.00 N ATOM 1096 CA MET A 65 -5.261 10.549 -16.536 1.00 0.00 C ATOM 1097 C MET A 65 -3.846 10.663 -17.085 1.00 0.00 C ATOM 1098 O MET A 65 -3.592 11.408 -18.030 1.00 0.00 O ATOM 1099 CB MET A 65 -5.576 11.722 -15.605 1.00 0.00 C ATOM 1100 CG MET A 65 -7.019 11.734 -15.129 1.00 0.00 C ATOM 1101 SD MET A 65 -7.417 13.170 -14.116 1.00 0.00 S ATOM 1102 CE MET A 65 -6.304 12.937 -12.735 1.00 0.00 C ATOM 0 H MET A 65 -5.432 9.347 -14.824 1.00 0.00 H new ATOM 0 HA MET A 65 -5.963 10.584 -17.369 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.915 11.679 -14.740 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.363 12.657 -16.123 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.681 11.713 -15.995 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.214 10.827 -14.556 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.520 13.678 -11.965 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.438 11.936 -12.324 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.275 13.055 -13.073 1.00 0.00 H new ATOM 1112 N LYS A 66 -2.929 9.919 -16.475 1.00 0.00 N ATOM 1113 CA LYS A 66 -1.569 9.805 -16.977 1.00 0.00 C ATOM 1114 C LYS A 66 -1.606 9.073 -18.309 1.00 0.00 C ATOM 1115 O LYS A 66 -1.194 9.623 -19.333 1.00 0.00 O ATOM 1116 CB LYS A 66 -0.704 9.051 -15.958 1.00 0.00 C ATOM 1117 CG LYS A 66 0.776 8.979 -16.300 1.00 0.00 C ATOM 1118 CD LYS A 66 1.567 8.392 -15.137 1.00 0.00 C ATOM 1119 CE LYS A 66 3.060 8.326 -15.428 1.00 0.00 C ATOM 1120 NZ LYS A 66 3.401 7.234 -16.376 1.00 0.00 N ATOM 0 H LYS A 66 -3.108 9.383 -15.626 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.132 10.793 -17.124 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.814 9.530 -14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.088 8.036 -15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.920 8.367 -17.190 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.150 9.976 -16.535 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.399 8.996 -14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.197 7.390 -14.918 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.390 9.279 -15.841 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.604 8.177 -14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.427 7.228 -16.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.111 6.321 -15.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.904 7.388 -17.276 1.00 0.00 H new ATOM 1134 N GLU A 67 -2.141 7.846 -18.278 1.00 0.00 N ATOM 1135 CA GLU A 67 -2.455 7.090 -19.493 1.00 0.00 C ATOM 1136 C GLU A 67 -1.254 7.039 -20.445 1.00 0.00 C ATOM 1137 O GLU A 67 -0.106 7.227 -20.038 1.00 0.00 O ATOM 1138 CB GLU A 67 -3.663 7.733 -20.190 1.00 0.00 C ATOM 1139 CG GLU A 67 -4.632 6.736 -20.816 1.00 0.00 C ATOM 1140 CD GLU A 67 -5.839 7.412 -21.432 1.00 0.00 C ATOM 1141 OE1 GLU A 67 -5.762 7.814 -22.611 1.00 0.00 O ATOM 1142 OE2 GLU A 67 -6.874 7.534 -20.742 1.00 0.00 O ATOM 0 H GLU A 67 -2.367 7.353 -17.414 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.695 6.064 -19.214 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.204 8.341 -19.465 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.303 8.408 -20.967 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.112 6.160 -21.581 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.964 6.029 -20.055 1.00 0.00 H new ATOM 1149 N HIS A 68 -1.525 6.723 -21.699 1.00 0.00 N ATOM 1150 CA HIS A 68 -0.532 6.865 -22.751 1.00 0.00 C ATOM 1151 C HIS A 68 -1.160 7.570 -23.958 1.00 0.00 C ATOM 1152 O HIS A 68 -1.288 6.992 -25.038 1.00 0.00 O ATOM 1153 CB HIS A 68 0.091 5.502 -23.134 1.00 0.00 C ATOM 1154 CG HIS A 68 -0.872 4.454 -23.624 1.00 0.00 C ATOM 1155 ND1 HIS A 68 -2.146 4.165 -23.263 1.00 0.00 N flip ATOM 1156 CD2 HIS A 68 -0.540 3.537 -24.597 1.00 0.00 C flip ATOM 1157 CE1 HIS A 68 -2.549 3.092 -24.015 1.00 0.00 C flip ATOM 1158 NE2 HIS A 68 -1.564 2.733 -24.811 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.427 6.365 -22.015 1.00 0.00 H new ATOM 0 HA HIS A 68 0.288 7.481 -22.381 1.00 0.00 H new ATOM 0 HB2 HIS A 68 0.839 5.671 -23.909 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.616 5.107 -22.264 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.411 3.484 -25.106 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.518 2.618 -23.963 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.588 1.963 -25.480 1.00 0.00 H new ATOM 1167 N PRO A 69 -1.574 8.847 -23.781 1.00 0.00 N ATOM 1168 CA PRO A 69 -2.255 9.621 -24.822 1.00 0.00 C ATOM 1169 C PRO A 69 -1.287 10.076 -25.899 1.00 0.00 C ATOM 1170 O PRO A 69 -1.693 10.525 -26.972 1.00 0.00 O ATOM 1171 CB PRO A 69 -2.833 10.835 -24.073 1.00 0.00 C ATOM 1172 CG PRO A 69 -2.586 10.574 -22.622 1.00 0.00 C ATOM 1173 CD PRO A 69 -1.405 9.651 -22.564 1.00 0.00 C ATOM 0 HA PRO A 69 -3.017 9.033 -25.333 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.349 11.758 -24.392 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.898 10.948 -24.274 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.383 11.502 -22.088 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.459 10.121 -22.153 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.462 10.197 -22.566 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.415 9.035 -21.665 1.00 0.00 H new ATOM 1181 N ASP A 70 -0.004 9.953 -25.593 1.00 0.00 N ATOM 1182 CA ASP A 70 1.054 10.275 -26.532 1.00 0.00 C ATOM 1183 C ASP A 70 1.069 9.268 -27.676 1.00 0.00 C ATOM 1184 O ASP A 70 1.544 9.558 -28.774 1.00 0.00 O ATOM 1185 CB ASP A 70 2.401 10.281 -25.805 1.00 0.00 C ATOM 1186 CG ASP A 70 3.568 10.602 -26.717 1.00 0.00 C ATOM 1187 OD1 ASP A 70 3.745 11.789 -27.076 1.00 0.00 O ATOM 1188 OD2 ASP A 70 4.321 9.670 -27.067 1.00 0.00 O ATOM 0 H ASP A 70 0.330 9.627 -24.686 1.00 0.00 H new ATOM 0 HA ASP A 70 0.873 11.265 -26.951 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.368 11.012 -24.997 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.564 9.306 -25.346 1.00 0.00 H new ATOM 1193 N TYR A 71 0.527 8.082 -27.416 1.00 0.00 N ATOM 1194 CA TYR A 71 0.451 7.043 -28.429 1.00 0.00 C ATOM 1195 C TYR A 71 -0.898 6.328 -28.380 1.00 0.00 C ATOM 1196 O TYR A 71 -1.044 5.278 -27.752 1.00 0.00 O ATOM 1197 CB TYR A 71 1.592 6.039 -28.259 1.00 0.00 C ATOM 1198 CG TYR A 71 1.561 4.908 -29.260 1.00 0.00 C ATOM 1199 CD1 TYR A 71 1.748 5.146 -30.616 1.00 0.00 C ATOM 1200 CD2 TYR A 71 1.339 3.600 -28.848 1.00 0.00 C ATOM 1201 CE1 TYR A 71 1.710 4.113 -31.529 1.00 0.00 C ATOM 1202 CE2 TYR A 71 1.304 2.564 -29.757 1.00 0.00 C ATOM 1203 CZ TYR A 71 1.489 2.826 -31.094 1.00 0.00 C ATOM 1204 OH TYR A 71 1.443 1.798 -32.002 1.00 0.00 O ATOM 0 H TYR A 71 0.135 7.820 -26.512 1.00 0.00 H new ATOM 0 HA TYR A 71 0.549 7.519 -29.405 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.543 6.565 -28.348 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.551 5.623 -27.253 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.926 6.154 -30.960 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.191 3.391 -27.799 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.853 4.313 -32.581 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.132 1.552 -29.421 1.00 0.00 H new ATOM 0 HH TYR A 71 1.280 0.954 -31.532 1.00 0.00 H new ATOM 1214 N LYS A 72 -1.891 6.935 -29.017 1.00 0.00 N ATOM 1215 CA LYS A 72 -3.217 6.330 -29.162 1.00 0.00 C ATOM 1216 C LYS A 72 -4.047 7.136 -30.147 1.00 0.00 C ATOM 1217 O LYS A 72 -5.275 7.055 -30.168 1.00 0.00 O ATOM 1218 CB LYS A 72 -3.939 6.236 -27.812 1.00 0.00 C ATOM 1219 CG LYS A 72 -4.072 7.565 -27.085 1.00 0.00 C ATOM 1220 CD LYS A 72 -4.806 7.401 -25.766 1.00 0.00 C ATOM 1221 CE LYS A 72 -6.267 7.049 -25.980 1.00 0.00 C ATOM 1222 NZ LYS A 72 -6.944 6.714 -24.702 1.00 0.00 N ATOM 0 H LYS A 72 -1.805 7.856 -29.447 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.089 5.317 -29.542 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.934 5.821 -27.972 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.401 5.536 -27.172 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.082 7.983 -26.903 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.607 8.275 -27.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.326 6.620 -25.176 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.734 8.324 -25.191 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.778 7.887 -26.453 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.341 6.203 -26.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.190 5.703 -24.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.307 6.922 -23.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.810 7.282 -24.609 1.00 0.00 H new ATOM 1236 N TYR A 73 -3.362 7.901 -30.981 1.00 0.00 N ATOM 1237 CA TYR A 73 -4.029 8.743 -31.951 1.00 0.00 C ATOM 1238 C TYR A 73 -4.016 8.080 -33.325 1.00 0.00 C ATOM 1239 O TYR A 73 -2.964 7.883 -33.930 1.00 0.00 O ATOM 1240 CB TYR A 73 -3.382 10.141 -31.996 1.00 0.00 C ATOM 1241 CG TYR A 73 -1.905 10.157 -32.352 1.00 0.00 C ATOM 1242 CD1 TYR A 73 -0.939 9.762 -31.435 1.00 0.00 C ATOM 1243 CD2 TYR A 73 -1.480 10.578 -33.608 1.00 0.00 C ATOM 1244 CE1 TYR A 73 0.404 9.785 -31.757 1.00 0.00 C ATOM 1245 CE2 TYR A 73 -0.138 10.601 -33.937 1.00 0.00 C ATOM 1246 CZ TYR A 73 0.800 10.201 -33.008 1.00 0.00 C ATOM 1247 OH TYR A 73 2.138 10.218 -33.331 1.00 0.00 O ATOM 0 H TYR A 73 -2.344 7.954 -31.003 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.068 8.871 -31.648 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.921 10.751 -32.721 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.510 10.615 -31.023 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.243 9.431 -30.453 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.211 10.892 -34.338 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.141 9.478 -31.030 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.175 10.931 -34.917 1.00 0.00 H new ATOM 0 HH TYR A 73 2.248 10.536 -34.251 1.00 0.00 H new ATOM 1257 N ARG A 74 -5.190 7.692 -33.786 1.00 0.00 N ATOM 1258 CA ARG A 74 -5.336 7.114 -35.112 1.00 0.00 C ATOM 1259 C ARG A 74 -5.790 8.180 -36.110 1.00 0.00 C ATOM 1260 O ARG A 74 -6.300 9.232 -35.709 1.00 0.00 O ATOM 1261 CB ARG A 74 -6.324 5.942 -35.080 1.00 0.00 C ATOM 1262 CG ARG A 74 -5.706 4.645 -34.588 1.00 0.00 C ATOM 1263 CD ARG A 74 -6.700 3.496 -34.629 1.00 0.00 C ATOM 1264 NE ARG A 74 -6.031 2.197 -34.571 1.00 0.00 N ATOM 1265 CZ ARG A 74 -6.658 1.027 -34.689 1.00 0.00 C ATOM 1266 NH1 ARG A 74 -7.983 0.980 -34.712 1.00 0.00 N ATOM 1267 NH2 ARG A 74 -5.953 -0.099 -34.750 1.00 0.00 N ATOM 0 H ARG A 74 -6.061 7.766 -33.260 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.367 6.733 -35.435 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.164 6.202 -34.436 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.725 5.787 -36.082 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.840 4.399 -35.202 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.346 4.778 -33.568 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.394 3.585 -33.793 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.292 3.560 -35.542 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.021 2.186 -34.431 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.525 1.841 -34.639 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.460 0.083 -34.802 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.934 -0.066 -34.706 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.431 -0.996 -34.840 1.00 0.00 H new ATOM 1281 N PRO A 75 -5.595 7.933 -37.419 1.00 0.00 N ATOM 1282 CA PRO A 75 -6.011 8.863 -38.479 1.00 0.00 C ATOM 1283 C PRO A 75 -7.519 9.103 -38.489 1.00 0.00 C ATOM 1284 O PRO A 75 -8.268 8.467 -37.742 1.00 0.00 O ATOM 1285 CB PRO A 75 -5.570 8.164 -39.770 1.00 0.00 C ATOM 1286 CG PRO A 75 -5.399 6.731 -39.400 1.00 0.00 C ATOM 1287 CD PRO A 75 -4.943 6.733 -37.971 1.00 0.00 C ATOM 0 HA PRO A 75 -5.569 9.850 -38.344 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.316 8.281 -40.556 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.639 8.587 -40.148 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.335 6.183 -39.512 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.666 6.245 -40.044 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.252 5.828 -37.447 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.857 6.791 -37.893 1.00 0.00 H new ATOM 1295 N ARG A 76 -7.966 10.022 -39.337 1.00 0.00 N ATOM 1296 CA ARG A 76 -9.381 10.375 -39.409 1.00 0.00 C ATOM 1297 C ARG A 76 -10.228 9.203 -39.895 1.00 0.00 C ATOM 1298 O ARG A 76 -11.424 9.122 -39.595 1.00 0.00 O ATOM 1299 CB ARG A 76 -9.581 11.602 -40.299 1.00 0.00 C ATOM 1300 CG ARG A 76 -9.029 12.873 -39.675 1.00 0.00 C ATOM 1301 CD ARG A 76 -9.286 14.093 -40.540 1.00 0.00 C ATOM 1302 NE ARG A 76 -9.001 15.328 -39.811 1.00 0.00 N ATOM 1303 CZ ARG A 76 -9.418 16.532 -40.189 1.00 0.00 C ATOM 1304 NH1 ARG A 76 -10.035 16.687 -41.355 1.00 0.00 N ATOM 1305 NH2 ARG A 76 -9.193 17.587 -39.414 1.00 0.00 N ATOM 0 H ARG A 76 -7.370 10.537 -39.985 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.716 10.621 -38.401 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.095 11.433 -41.260 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.645 11.732 -40.499 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.483 13.022 -38.695 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.956 12.762 -39.516 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.666 14.045 -41.435 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.324 14.095 -40.872 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.447 15.261 -38.957 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.189 15.881 -41.961 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.355 17.612 -41.644 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.700 17.473 -38.528 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.513 18.511 -39.705 1.00 0.00 H new ATOM 1319 N ARG A 77 -9.613 8.294 -40.635 1.00 0.00 N ATOM 1320 CA ARG A 77 -10.272 7.048 -41.001 1.00 0.00 C ATOM 1321 C ARG A 77 -10.299 6.108 -39.795 1.00 0.00 C ATOM 1322 O ARG A 77 -9.442 5.235 -39.642 1.00 0.00 O ATOM 1323 CB ARG A 77 -9.561 6.388 -42.187 1.00 0.00 C ATOM 1324 CG ARG A 77 -10.178 5.064 -42.618 1.00 0.00 C ATOM 1325 CD ARG A 77 -9.445 4.465 -43.805 1.00 0.00 C ATOM 1326 NE ARG A 77 -9.941 3.129 -44.134 1.00 0.00 N ATOM 1327 CZ ARG A 77 -10.067 2.665 -45.376 1.00 0.00 C ATOM 1328 NH1 ARG A 77 -9.764 3.444 -46.407 1.00 0.00 N ATOM 1329 NH2 ARG A 77 -10.495 1.427 -45.582 1.00 0.00 N ATOM 0 H ARG A 77 -8.663 8.394 -40.993 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.296 7.264 -41.304 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.572 7.075 -43.033 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.516 6.222 -41.925 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.155 4.363 -41.784 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.226 5.217 -42.876 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.560 5.118 -44.670 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.379 4.412 -43.585 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.207 2.515 -43.365 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.435 4.396 -46.247 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.860 3.090 -47.359 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.728 0.829 -44.789 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.591 1.072 -46.534 1.00 0.00 H new ATOM 1343 N LYS A 78 -11.271 6.320 -38.917 1.00 0.00 N ATOM 1344 CA LYS A 78 -11.378 5.545 -37.690 1.00 0.00 C ATOM 1345 C LYS A 78 -12.835 5.203 -37.374 1.00 0.00 C ATOM 1346 O LYS A 78 -13.494 5.886 -36.594 1.00 0.00 O ATOM 1347 CB LYS A 78 -10.723 6.301 -36.521 1.00 0.00 C ATOM 1348 CG LYS A 78 -11.209 7.738 -36.363 1.00 0.00 C ATOM 1349 CD LYS A 78 -11.919 7.951 -35.034 1.00 0.00 C ATOM 1350 CE LYS A 78 -12.649 9.285 -34.993 1.00 0.00 C ATOM 1351 NZ LYS A 78 -11.717 10.440 -35.026 1.00 0.00 N ATOM 0 H LYS A 78 -11.999 7.025 -39.034 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.846 4.605 -37.835 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.918 5.758 -35.596 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.643 6.307 -36.665 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.361 8.419 -36.435 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.886 7.985 -37.181 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.630 7.142 -34.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.193 7.909 -34.223 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.332 9.349 -35.840 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.256 9.337 -34.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.261 11.326 -34.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.081 10.396 -34.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.155 10.408 -35.901 1.00 0.00 H new ATOM 1365 N THR A 79 -13.329 4.157 -38.022 1.00 0.00 N ATOM 1366 CA THR A 79 -14.659 3.614 -37.759 1.00 0.00 C ATOM 1367 C THR A 79 -15.773 4.599 -38.102 1.00 0.00 C ATOM 1368 O THR A 79 -16.068 5.522 -37.340 1.00 0.00 O ATOM 1369 CB THR A 79 -14.819 3.191 -36.286 1.00 0.00 C ATOM 1370 OG1 THR A 79 -13.676 2.433 -35.858 1.00 0.00 O ATOM 1371 CG2 THR A 79 -16.075 2.355 -36.097 1.00 0.00 C ATOM 0 H THR A 79 -12.817 3.657 -38.749 1.00 0.00 H new ATOM 0 HA THR A 79 -14.749 2.742 -38.406 1.00 0.00 H new ATOM 0 HB THR A 79 -14.902 4.096 -35.684 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.789 2.172 -34.920 1.00 0.00 H new ATOM 0 HG21 THR A 79 -16.167 2.068 -35.049 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.948 2.938 -36.391 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.012 1.459 -36.714 1.00 0.00 H new ATOM 1379 N LYS A 80 -16.384 4.409 -39.255 1.00 0.00 N ATOM 1380 CA LYS A 80 -17.588 5.142 -39.595 1.00 0.00 C ATOM 1381 C LYS A 80 -18.734 4.164 -39.787 1.00 0.00 C ATOM 1382 O LYS A 80 -18.548 3.094 -40.373 1.00 0.00 O ATOM 1383 CB LYS A 80 -17.395 6.001 -40.848 1.00 0.00 C ATOM 1384 CG LYS A 80 -16.462 7.185 -40.646 1.00 0.00 C ATOM 1385 CD LYS A 80 -16.624 8.208 -41.755 1.00 0.00 C ATOM 1386 CE LYS A 80 -15.703 9.399 -41.551 1.00 0.00 C ATOM 1387 NZ LYS A 80 -15.952 10.468 -42.553 1.00 0.00 N ATOM 0 H LYS A 80 -16.068 3.755 -39.971 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.821 5.821 -38.775 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.003 5.375 -41.649 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.367 6.369 -41.178 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.668 7.653 -39.683 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.430 6.837 -40.617 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.410 7.741 -42.716 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.659 8.548 -41.789 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.846 9.801 -40.548 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.665 9.072 -41.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.304 11.263 -42.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.792 10.092 -43.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.935 10.798 -42.471 1.00 0.00 H new ATOM 1401 N THR A 81 -19.898 4.529 -39.256 1.00 0.00 N ATOM 1402 CA THR A 81 -21.093 3.693 -39.303 1.00 0.00 C ATOM 1403 C THR A 81 -20.968 2.515 -38.330 1.00 0.00 C ATOM 1404 O THR A 81 -21.344 2.684 -37.147 1.00 0.00 O ATOM 1405 CB THR A 81 -21.379 3.189 -40.736 1.00 0.00 C ATOM 1406 OG1 THR A 81 -21.357 4.298 -41.648 1.00 0.00 O ATOM 1407 CG2 THR A 81 -22.731 2.495 -40.819 1.00 0.00 C ATOM 1408 OXT THR A 81 -20.472 1.444 -38.735 1.00 0.00 O ATOM 0 H THR A 81 -20.039 5.419 -38.778 1.00 0.00 H new ATOM 0 HA THR A 81 -21.938 4.309 -38.996 1.00 0.00 H new ATOM 0 HB THR A 81 -20.606 2.468 -41.003 1.00 0.00 H new ATOM 0 HG1 THR A 81 -21.537 3.978 -42.557 1.00 0.00 H new ATOM 0 HG21 THR A 81 -22.902 2.152 -41.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 -22.744 1.641 -40.142 1.00 0.00 H new ATOM 0 HG23 THR A 81 -23.517 3.194 -40.535 1.00 0.00 H new TER 1416 THR A 81