USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 940 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 95 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=-0.44) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 64 THR OG1 : rot 159:sc= 0.00709 USER MOD Set 2.2: A 124 LYS NZ :NH3+ -119:sc= 0.00608 (180deg=-0.00357) USER MOD Set 3.1: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 TYR OH : rot 30:sc= -0.58 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 21 THR OG1 : rot -7:sc= -0.429 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0863 (180deg=-0.42) USER MOD Single : A 26 THR OG1 : rot -19:sc= 0.866 USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= -0.735 (180deg=-1.93!) USER MOD Single : A 31 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.68!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -1.67! (180deg=-1.77!) USER MOD Single : A 38 SER OG : rot 106:sc= 0.869 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0803) USER MOD Single : A 48 MET CE :methyl -152:sc= -0.662 (180deg=-2.09!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0.00868 (180deg=0.00433) USER MOD Single : A 60 HIS : no HE2:sc= -1.93! C(o=-1.9!,f=-2.8!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -111:sc= 0.165 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.29 K(o=-2.3,f=-8.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0794 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -23:sc= 0.0044 USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0.0122 (180deg=0.0069) USER MOD Single : A 103 THR OG1 : rot 70:sc= 1.06 USER MOD Single : A 105 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.53) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 CYS SG : rot 68:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.064 19.245 5.703 1.00 0.00 N ATOM 60 CA GLY A 7 1.195 18.542 6.280 1.00 0.00 C ATOM 61 C GLY A 7 0.782 17.578 7.375 1.00 0.00 C ATOM 62 O GLY A 7 1.387 16.520 7.539 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.717 17.994 5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.901 19.267 6.686 1.00 0.00 H new ATOM 66 N ASN A 8 -0.251 17.946 8.126 1.00 0.00 N ATOM 67 CA ASN A 8 -0.743 17.107 9.212 1.00 0.00 C ATOM 68 C ASN A 8 -1.802 16.131 8.709 1.00 0.00 C ATOM 69 O ASN A 8 -1.914 15.008 9.202 1.00 0.00 O ATOM 70 CB ASN A 8 -1.323 17.973 10.332 1.00 0.00 C ATOM 71 CG ASN A 8 -0.275 18.381 11.350 1.00 0.00 C ATOM 72 OD1 ASN A 8 0.162 17.569 12.165 1.00 0.00 O ATOM 73 ND2 ASN A 8 0.133 19.644 11.306 1.00 0.00 N ATOM 0 H ASN A 8 -0.763 18.819 8.002 1.00 0.00 H new ATOM 0 HA ASN A 8 0.098 16.534 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.773 18.867 9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.120 17.426 10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.837 19.976 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.257 20.282 10.613 1.00 0.00 H new ATOM 80 N THR A 9 -2.579 16.567 7.722 1.00 0.00 N ATOM 81 CA THR A 9 -3.630 15.733 7.151 1.00 0.00 C ATOM 82 C THR A 9 -3.043 14.522 6.435 1.00 0.00 C ATOM 83 O THR A 9 -3.715 13.505 6.261 1.00 0.00 O ATOM 84 CB THR A 9 -4.502 16.528 6.161 1.00 0.00 C ATOM 85 OG1 THR A 9 -4.631 17.885 6.601 1.00 0.00 O ATOM 86 CG2 THR A 9 -5.881 15.899 6.029 1.00 0.00 C ATOM 0 H THR A 9 -2.500 17.493 7.301 1.00 0.00 H new ATOM 0 HA THR A 9 -4.251 15.395 7.981 1.00 0.00 H new ATOM 0 HB THR A 9 -4.016 16.508 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.185 18.384 5.965 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.479 16.478 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.781 14.876 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.372 15.892 7.002 1.00 0.00 H new ATOM 94 N LEU A 10 -1.785 14.638 6.021 1.00 0.00 N ATOM 95 CA LEU A 10 -1.107 13.551 5.324 1.00 0.00 C ATOM 96 C LEU A 10 -0.286 12.709 6.295 1.00 0.00 C ATOM 97 O LEU A 10 -0.006 11.539 6.035 1.00 0.00 O ATOM 98 CB LEU A 10 -0.202 14.110 4.225 1.00 0.00 C ATOM 99 CG LEU A 10 -0.844 14.279 2.848 1.00 0.00 C ATOM 100 CD1 LEU A 10 0.097 15.016 1.907 1.00 0.00 C ATOM 101 CD2 LEU A 10 -1.227 12.925 2.268 1.00 0.00 C ATOM 0 H LEU A 10 -1.215 15.473 6.156 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.866 12.913 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.174 15.080 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.661 13.452 4.123 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.751 14.873 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.377 15.127 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.322 16.001 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.021 14.449 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.683 13.065 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.335 12.306 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.938 12.433 2.932 1.00 0.00 H new ATOM 113 N ARG A 11 0.096 13.312 7.417 1.00 0.00 N ATOM 114 CA ARG A 11 0.884 12.618 8.428 1.00 0.00 C ATOM 115 C ARG A 11 0.060 11.526 9.104 1.00 0.00 C ATOM 116 O ARG A 11 0.468 10.365 9.147 1.00 0.00 O ATOM 117 CB ARG A 11 1.395 13.608 9.475 1.00 0.00 C ATOM 118 CG ARG A 11 2.535 13.065 10.322 1.00 0.00 C ATOM 119 CD ARG A 11 2.047 12.009 11.301 1.00 0.00 C ATOM 120 NE ARG A 11 2.899 11.924 12.484 1.00 0.00 N ATOM 121 CZ ARG A 11 2.978 12.881 13.402 1.00 0.00 C ATOM 122 NH1 ARG A 11 2.260 13.989 13.274 1.00 0.00 N ATOM 123 NH2 ARG A 11 3.776 12.731 14.452 1.00 0.00 N ATOM 0 H ARG A 11 -0.128 14.280 7.648 1.00 0.00 H new ATOM 0 HA ARG A 11 1.736 12.152 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.728 14.516 8.972 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.570 13.890 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.299 12.636 9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.004 13.882 10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.026 12.241 11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.019 11.039 10.804 1.00 0.00 H new ATOM 0 HE ARG A 11 3.464 11.085 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.645 14.108 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.323 14.722 13.981 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.329 11.880 14.555 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.836 13.466 15.156 1.00 0.00 H new ATOM 137 N GLU A 12 -1.100 11.906 9.629 1.00 0.00 N ATOM 138 CA GLU A 12 -1.980 10.959 10.304 1.00 0.00 C ATOM 139 C GLU A 12 -2.428 9.857 9.349 1.00 0.00 C ATOM 140 O GLU A 12 -2.535 8.692 9.733 1.00 0.00 O ATOM 141 CB GLU A 12 -3.201 11.682 10.876 1.00 0.00 C ATOM 142 CG GLU A 12 -4.278 11.968 9.843 1.00 0.00 C ATOM 143 CD GLU A 12 -5.452 12.733 10.421 1.00 0.00 C ATOM 144 OE1 GLU A 12 -5.388 13.980 10.454 1.00 0.00 O ATOM 145 OE2 GLU A 12 -6.434 12.086 10.841 1.00 0.00 O ATOM 0 H GLU A 12 -1.453 12.863 9.600 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.422 10.502 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.628 11.078 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.879 12.623 11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.846 12.539 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.633 11.027 9.424 1.00 0.00 H new ATOM 152 N LEU A 13 -2.690 10.234 8.102 1.00 0.00 N ATOM 153 CA LEU A 13 -3.128 9.279 7.090 1.00 0.00 C ATOM 154 C LEU A 13 -2.058 8.221 6.841 1.00 0.00 C ATOM 155 O LEU A 13 -2.306 7.025 6.996 1.00 0.00 O ATOM 156 CB LEU A 13 -3.457 10.004 5.784 1.00 0.00 C ATOM 157 CG LEU A 13 -3.902 9.120 4.619 1.00 0.00 C ATOM 158 CD1 LEU A 13 -5.411 8.930 4.639 1.00 0.00 C ATOM 159 CD2 LEU A 13 -3.456 9.720 3.293 1.00 0.00 C ATOM 0 H LEU A 13 -2.607 11.194 7.768 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.026 8.783 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.244 10.731 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.577 10.566 5.472 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.432 8.143 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.709 8.298 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.706 8.456 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.901 9.900 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.781 9.077 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.897 10.710 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.369 9.803 3.279 1.00 0.00 H new ATOM 171 N ARG A 14 -0.867 8.669 6.457 1.00 0.00 N ATOM 172 CA ARG A 14 0.241 7.761 6.188 1.00 0.00 C ATOM 173 C ARG A 14 0.264 6.617 7.198 1.00 0.00 C ATOM 174 O ARG A 14 0.349 5.446 6.824 1.00 0.00 O ATOM 175 CB ARG A 14 1.570 8.517 6.228 1.00 0.00 C ATOM 176 CG ARG A 14 2.662 7.875 5.388 1.00 0.00 C ATOM 177 CD ARG A 14 3.960 8.663 5.467 1.00 0.00 C ATOM 178 NE ARG A 14 4.572 8.579 6.791 1.00 0.00 N ATOM 179 CZ ARG A 14 4.254 9.383 7.799 1.00 0.00 C ATOM 180 NH1 ARG A 14 3.336 10.325 7.636 1.00 0.00 N ATOM 181 NH2 ARG A 14 4.855 9.244 8.975 1.00 0.00 N ATOM 0 H ARG A 14 -0.645 9.656 6.325 1.00 0.00 H new ATOM 0 HA ARG A 14 0.100 7.341 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.408 9.537 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.910 8.583 7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.833 6.854 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.335 7.813 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.659 8.286 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.765 9.707 5.223 1.00 0.00 H new ATOM 0 HE ARG A 14 5.282 7.864 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.872 10.434 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.094 10.941 8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.561 8.519 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.610 9.862 9.749 1.00 0.00 H new ATOM 195 N LEU A 15 0.187 6.963 8.478 1.00 0.00 N ATOM 196 CA LEU A 15 0.200 5.966 9.542 1.00 0.00 C ATOM 197 C LEU A 15 -1.016 5.050 9.444 1.00 0.00 C ATOM 198 O LEU A 15 -0.919 3.845 9.680 1.00 0.00 O ATOM 199 CB LEU A 15 0.227 6.651 10.910 1.00 0.00 C ATOM 200 CG LEU A 15 1.481 7.467 11.227 1.00 0.00 C ATOM 201 CD1 LEU A 15 1.218 8.423 12.379 1.00 0.00 C ATOM 202 CD2 LEU A 15 2.648 6.546 11.551 1.00 0.00 C ATOM 0 H LEU A 15 0.115 7.927 8.804 1.00 0.00 H new ATOM 0 HA LEU A 15 1.099 5.360 9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.639 7.310 10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.111 5.887 11.679 1.00 0.00 H new ATOM 0 HG LEU A 15 1.742 8.055 10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.121 8.995 12.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.411 9.105 12.109 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.932 7.856 13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.532 7.143 11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.397 5.932 12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.852 5.902 10.695 1.00 0.00 H new ATOM 214 N PHE A 16 -2.159 5.628 9.093 1.00 0.00 N ATOM 215 CA PHE A 16 -3.394 4.864 8.962 1.00 0.00 C ATOM 216 C PHE A 16 -3.245 3.765 7.913 1.00 0.00 C ATOM 217 O PHE A 16 -3.318 2.577 8.228 1.00 0.00 O ATOM 218 CB PHE A 16 -4.554 5.788 8.588 1.00 0.00 C ATOM 219 CG PHE A 16 -5.826 5.055 8.268 1.00 0.00 C ATOM 220 CD1 PHE A 16 -6.316 4.084 9.126 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.532 5.338 7.110 1.00 0.00 C ATOM 222 CE1 PHE A 16 -7.485 3.408 8.834 1.00 0.00 C ATOM 223 CE2 PHE A 16 -7.702 4.666 6.812 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.180 3.700 7.676 1.00 0.00 C ATOM 0 H PHE A 16 -2.256 6.624 8.894 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.607 4.398 9.924 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.739 6.477 9.412 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.265 6.391 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.778 3.853 10.034 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.163 6.093 6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.855 2.652 9.510 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.242 4.896 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.095 3.174 7.447 1.00 0.00 H new ATOM 234 N LEU A 17 -3.038 4.172 6.666 1.00 0.00 N ATOM 235 CA LEU A 17 -2.879 3.223 5.569 1.00 0.00 C ATOM 236 C LEU A 17 -1.888 2.124 5.938 1.00 0.00 C ATOM 237 O LEU A 17 -2.118 0.948 5.656 1.00 0.00 O ATOM 238 CB LEU A 17 -2.407 3.947 4.307 1.00 0.00 C ATOM 239 CG LEU A 17 -3.452 4.810 3.598 1.00 0.00 C ATOM 240 CD1 LEU A 17 -2.847 5.485 2.376 1.00 0.00 C ATOM 241 CD2 LEU A 17 -4.658 3.971 3.203 1.00 0.00 C ATOM 0 H LEU A 17 -2.976 5.152 6.389 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.848 2.763 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.560 4.581 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.040 3.202 3.601 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.784 5.585 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.605 6.095 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.016 6.119 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.486 4.726 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.391 4.602 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.342 3.174 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.106 3.535 4.096 1.00 0.00 H new ATOM 253 N ARG A 18 -0.788 2.515 6.573 1.00 0.00 N ATOM 254 CA ARG A 18 0.237 1.563 6.982 1.00 0.00 C ATOM 255 C ARG A 18 -0.279 0.652 8.092 1.00 0.00 C ATOM 256 O ARG A 18 0.065 -0.529 8.151 1.00 0.00 O ATOM 257 CB ARG A 18 1.490 2.302 7.456 1.00 0.00 C ATOM 258 CG ARG A 18 2.776 1.521 7.239 1.00 0.00 C ATOM 259 CD ARG A 18 3.994 2.431 7.278 1.00 0.00 C ATOM 260 NE ARG A 18 5.231 1.701 7.018 1.00 0.00 N ATOM 261 CZ ARG A 18 5.870 0.986 7.938 1.00 0.00 C ATOM 262 NH1 ARG A 18 5.389 0.905 9.171 1.00 0.00 N ATOM 263 NH2 ARG A 18 6.991 0.350 7.625 1.00 0.00 N ATOM 0 H ARG A 18 -0.584 3.485 6.815 1.00 0.00 H new ATOM 0 HA ARG A 18 0.491 0.948 6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.560 3.255 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.388 2.530 8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.870 0.752 8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.734 1.009 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.878 3.223 6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.056 2.913 8.254 1.00 0.00 H new ATOM 0 HE ARG A 18 5.627 1.742 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.527 1.392 9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.881 0.356 9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.363 0.409 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.481 -0.198 8.332 1.00 0.00 H new ATOM 277 N ASP A 19 -1.106 1.209 8.970 1.00 0.00 N ATOM 278 CA ASP A 19 -1.670 0.447 10.079 1.00 0.00 C ATOM 279 C ASP A 19 -2.663 -0.595 9.572 1.00 0.00 C ATOM 280 O ASP A 19 -2.760 -1.693 10.120 1.00 0.00 O ATOM 281 CB ASP A 19 -2.359 1.385 11.071 1.00 0.00 C ATOM 282 CG ASP A 19 -1.425 1.850 12.172 1.00 0.00 C ATOM 283 OD1 ASP A 19 -0.894 0.988 12.903 1.00 0.00 O ATOM 284 OD2 ASP A 19 -1.225 3.075 12.300 1.00 0.00 O ATOM 0 H ASP A 19 -1.401 2.185 8.936 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.855 -0.070 10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.747 2.252 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.214 0.875 11.515 1.00 0.00 H new ATOM 289 N VAL A 20 -3.398 -0.244 8.522 1.00 0.00 N ATOM 290 CA VAL A 20 -4.384 -1.148 7.942 1.00 0.00 C ATOM 291 C VAL A 20 -3.706 -2.300 7.208 1.00 0.00 C ATOM 292 O VAL A 20 -3.977 -3.470 7.481 1.00 0.00 O ATOM 293 CB VAL A 20 -5.316 -0.409 6.964 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.265 -1.387 6.288 1.00 0.00 C ATOM 295 CG2 VAL A 20 -6.090 0.682 7.688 1.00 0.00 C ATOM 0 H VAL A 20 -3.329 0.660 8.055 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.976 -1.544 8.767 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.706 0.060 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.916 -0.846 5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.689 -2.129 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.871 -1.887 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.744 1.194 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.691 0.237 8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.391 1.398 8.120 1.00 0.00 H new ATOM 305 N THR A 21 -2.822 -1.962 6.274 1.00 0.00 N ATOM 306 CA THR A 21 -2.106 -2.968 5.500 1.00 0.00 C ATOM 307 C THR A 21 -1.320 -3.905 6.409 1.00 0.00 C ATOM 308 O THR A 21 -1.450 -5.126 6.322 1.00 0.00 O ATOM 309 CB THR A 21 -1.139 -2.317 4.492 1.00 0.00 C ATOM 310 OG1 THR A 21 -1.867 -1.485 3.582 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.373 -3.378 3.716 1.00 0.00 C ATOM 0 H THR A 21 -2.585 -0.999 6.036 1.00 0.00 H new ATOM 0 HA THR A 21 -2.856 -3.541 4.955 1.00 0.00 H new ATOM 0 HB THR A 21 -0.425 -1.709 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.829 -1.605 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.303 -2.895 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.203 -3.991 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.076 -4.009 3.171 1.00 0.00 H new ATOM 319 N LYS A 22 -0.503 -3.326 7.283 1.00 0.00 N ATOM 320 CA LYS A 22 0.304 -4.108 8.212 1.00 0.00 C ATOM 321 C LYS A 22 -0.538 -5.183 8.892 1.00 0.00 C ATOM 322 O LYS A 22 -0.164 -6.356 8.916 1.00 0.00 O ATOM 323 CB LYS A 22 0.935 -3.196 9.266 1.00 0.00 C ATOM 324 CG LYS A 22 2.072 -3.848 10.033 1.00 0.00 C ATOM 325 CD LYS A 22 1.567 -4.570 11.271 1.00 0.00 C ATOM 326 CE LYS A 22 1.214 -3.593 12.382 1.00 0.00 C ATOM 327 NZ LYS A 22 2.412 -2.859 12.876 1.00 0.00 N ATOM 0 H LYS A 22 -0.382 -2.317 7.367 1.00 0.00 H new ATOM 0 HA LYS A 22 1.096 -4.597 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.307 -2.295 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.165 -2.883 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.591 -4.554 9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.798 -3.089 10.324 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.689 -5.163 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.329 -5.264 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.476 -2.879 12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.753 -4.134 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.223 -2.487 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.225 -3.506 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.626 -2.070 12.233 1.00 0.00 H new ATOM 341 N ARG A 23 -1.677 -4.775 9.443 1.00 0.00 N ATOM 342 CA ARG A 23 -2.571 -5.703 10.124 1.00 0.00 C ATOM 343 C ARG A 23 -2.851 -6.925 9.254 1.00 0.00 C ATOM 344 O ARG A 23 -2.813 -8.061 9.729 1.00 0.00 O ATOM 345 CB ARG A 23 -3.886 -5.008 10.483 1.00 0.00 C ATOM 346 CG ARG A 23 -4.606 -5.638 11.663 1.00 0.00 C ATOM 347 CD ARG A 23 -4.106 -5.079 12.985 1.00 0.00 C ATOM 348 NE ARG A 23 -5.004 -5.400 14.091 1.00 0.00 N ATOM 349 CZ ARG A 23 -5.034 -6.584 14.693 1.00 0.00 C ATOM 350 NH1 ARG A 23 -4.219 -7.553 14.298 1.00 0.00 N ATOM 351 NH2 ARG A 23 -5.880 -6.801 15.692 1.00 0.00 N ATOM 0 H ARG A 23 -2.002 -3.808 9.431 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.081 -6.034 11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.684 -3.961 10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.545 -5.025 9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.678 -5.460 11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.460 -6.718 11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.114 -5.479 13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.002 -3.997 12.905 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.643 -4.676 14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.567 -7.390 13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.244 -8.461 14.762 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.508 -6.058 15.999 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.902 -7.710 16.153 1.00 0.00 H new ATOM 365 N LEU A 24 -3.133 -6.685 7.978 1.00 0.00 N ATOM 366 CA LEU A 24 -3.420 -7.765 7.041 1.00 0.00 C ATOM 367 C LEU A 24 -2.215 -8.688 6.889 1.00 0.00 C ATOM 368 O LEU A 24 -2.309 -9.892 7.126 1.00 0.00 O ATOM 369 CB LEU A 24 -3.815 -7.194 5.678 1.00 0.00 C ATOM 370 CG LEU A 24 -5.065 -6.314 5.656 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.125 -5.504 4.371 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.318 -7.164 5.812 1.00 0.00 C ATOM 0 H LEU A 24 -3.169 -5.751 7.569 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.252 -8.346 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.978 -6.611 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.968 -8.025 4.989 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.013 -5.621 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.021 -4.884 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.243 -4.867 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.153 -6.180 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.198 -6.521 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.376 -7.881 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.279 -7.699 6.761 1.00 0.00 H new ATOM 384 N ALA A 25 -1.083 -8.115 6.493 1.00 0.00 N ATOM 385 CA ALA A 25 0.141 -8.885 6.313 1.00 0.00 C ATOM 386 C ALA A 25 0.395 -9.798 7.507 1.00 0.00 C ATOM 387 O ALA A 25 0.730 -10.973 7.345 1.00 0.00 O ATOM 388 CB ALA A 25 1.324 -7.953 6.097 1.00 0.00 C ATOM 0 H ALA A 25 -0.989 -7.120 6.291 1.00 0.00 H new ATOM 0 HA ALA A 25 0.021 -9.511 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.232 -8.542 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.152 -7.346 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.438 -7.302 6.964 1.00 0.00 H new ATOM 394 N THR A 26 0.236 -9.252 8.709 1.00 0.00 N ATOM 395 CA THR A 26 0.450 -10.017 9.931 1.00 0.00 C ATOM 396 C THR A 26 -0.635 -11.071 10.117 1.00 0.00 C ATOM 397 O THR A 26 -0.353 -12.205 10.504 1.00 0.00 O ATOM 398 CB THR A 26 0.479 -9.101 11.169 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.737 -8.349 11.250 1.00 0.00 O ATOM 400 CG2 THR A 26 1.666 -8.152 11.113 1.00 0.00 C ATOM 0 H THR A 26 -0.040 -8.282 8.862 1.00 0.00 H new ATOM 0 HA THR A 26 1.417 -10.510 9.830 1.00 0.00 H new ATOM 0 HB THR A 26 0.578 -9.728 12.055 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.179 -8.346 10.375 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.665 -7.515 11.998 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.591 -8.728 11.081 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.594 -7.532 10.220 1.00 0.00 H new ATOM 408 N ASP A 27 -1.877 -10.690 9.839 1.00 0.00 N ATOM 409 CA ASP A 27 -3.006 -11.604 9.974 1.00 0.00 C ATOM 410 C ASP A 27 -2.714 -12.933 9.284 1.00 0.00 C ATOM 411 O ASP A 27 -2.628 -13.003 8.058 1.00 0.00 O ATOM 412 CB ASP A 27 -4.271 -10.976 9.387 1.00 0.00 C ATOM 413 CG ASP A 27 -5.046 -10.170 10.410 1.00 0.00 C ATOM 414 OD1 ASP A 27 -5.294 -10.695 11.515 1.00 0.00 O ATOM 415 OD2 ASP A 27 -5.405 -9.013 10.105 1.00 0.00 O ATOM 0 H ASP A 27 -2.128 -9.755 9.519 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.164 -11.794 11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.999 -10.331 8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.912 -11.762 8.987 1.00 0.00 H new ATOM 420 N LYS A 28 -2.563 -13.986 10.080 1.00 0.00 N ATOM 421 CA LYS A 28 -2.282 -15.314 9.548 1.00 0.00 C ATOM 422 C LYS A 28 -3.160 -15.612 8.337 1.00 0.00 C ATOM 423 O LYS A 28 -2.759 -16.344 7.432 1.00 0.00 O ATOM 424 CB LYS A 28 -2.505 -16.376 10.627 1.00 0.00 C ATOM 425 CG LYS A 28 -1.297 -16.599 11.520 1.00 0.00 C ATOM 426 CD LYS A 28 -0.399 -17.700 10.980 1.00 0.00 C ATOM 427 CE LYS A 28 0.333 -17.255 9.723 1.00 0.00 C ATOM 428 NZ LYS A 28 -0.430 -17.588 8.489 1.00 0.00 N ATOM 0 H LYS A 28 -2.631 -13.945 11.097 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.239 -15.339 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.353 -16.082 11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.771 -17.318 10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.729 -15.673 11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.629 -16.860 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.326 -17.987 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.997 -18.584 10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.505 -16.179 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.312 -17.733 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.164 -18.164 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.285 -18.122 8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.702 -16.710 8.002 1.00 0.00 H new ATOM 442 N ARG A 29 -4.360 -15.039 8.326 1.00 0.00 N ATOM 443 CA ARG A 29 -5.294 -15.244 7.226 1.00 0.00 C ATOM 444 C ARG A 29 -4.817 -14.526 5.967 1.00 0.00 C ATOM 445 O ARG A 29 -4.885 -15.071 4.866 1.00 0.00 O ATOM 446 CB ARG A 29 -6.688 -14.746 7.614 1.00 0.00 C ATOM 447 CG ARG A 29 -7.553 -15.808 8.273 1.00 0.00 C ATOM 448 CD ARG A 29 -7.025 -16.180 9.649 1.00 0.00 C ATOM 449 NE ARG A 29 -6.929 -15.020 10.531 1.00 0.00 N ATOM 450 CZ ARG A 29 -7.975 -14.469 11.137 1.00 0.00 C ATOM 451 NH1 ARG A 29 -9.189 -14.971 10.958 1.00 0.00 N ATOM 452 NH2 ARG A 29 -7.808 -13.415 11.925 1.00 0.00 N ATOM 0 H ARG A 29 -4.707 -14.430 9.066 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.342 -16.313 7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.586 -13.900 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.195 -14.379 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.576 -15.443 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.585 -16.696 7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.681 -16.925 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.042 -16.641 9.548 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.009 -14.610 10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.321 -15.782 10.354 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.990 -14.546 11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.876 -13.027 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.612 -12.993 12.390 1.00 0.00 H new ATOM 466 N PHE A 30 -4.336 -13.299 6.139 1.00 0.00 N ATOM 467 CA PHE A 30 -3.850 -12.505 5.016 1.00 0.00 C ATOM 468 C PHE A 30 -2.327 -12.417 5.033 1.00 0.00 C ATOM 469 O PHE A 30 -1.751 -11.383 4.696 1.00 0.00 O ATOM 470 CB PHE A 30 -4.454 -11.100 5.058 1.00 0.00 C ATOM 471 CG PHE A 30 -5.938 -11.092 5.286 1.00 0.00 C ATOM 472 CD1 PHE A 30 -6.778 -11.864 4.500 1.00 0.00 C ATOM 473 CD2 PHE A 30 -6.495 -10.312 6.287 1.00 0.00 C ATOM 474 CE1 PHE A 30 -8.144 -11.860 4.707 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.860 -10.304 6.500 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.686 -11.077 5.708 1.00 0.00 C ATOM 0 H PHE A 30 -4.272 -12.833 7.044 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.158 -12.997 4.094 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.970 -10.529 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.236 -10.591 4.119 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.360 -12.477 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.854 -9.703 6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.787 -12.468 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.281 -9.694 7.285 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.754 -11.069 5.871 1.00 0.00 H new ATOM 486 N ASN A 31 -1.681 -13.509 5.427 1.00 0.00 N ATOM 487 CA ASN A 31 -0.224 -13.556 5.489 1.00 0.00 C ATOM 488 C ASN A 31 0.351 -14.236 4.251 1.00 0.00 C ATOM 489 O ASN A 31 1.466 -13.933 3.825 1.00 0.00 O ATOM 490 CB ASN A 31 0.230 -14.295 6.749 1.00 0.00 C ATOM 491 CG ASN A 31 1.678 -14.008 7.097 1.00 0.00 C ATOM 492 OD1 ASN A 31 2.537 -13.938 6.218 1.00 0.00 O ATOM 493 ND2 ASN A 31 1.955 -13.842 8.385 1.00 0.00 N ATOM 0 H ASN A 31 -2.143 -14.374 5.708 1.00 0.00 H new ATOM 0 HA ASN A 31 0.147 -12.532 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.406 -14.006 7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.099 -15.368 6.605 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.912 -13.648 8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.211 -13.909 9.079 1.00 0.00 H new ATOM 500 N ILE A 32 -0.416 -15.157 3.678 1.00 0.00 N ATOM 501 CA ILE A 32 0.016 -15.880 2.489 1.00 0.00 C ATOM 502 C ILE A 32 0.281 -14.923 1.331 1.00 0.00 C ATOM 503 O ILE A 32 1.033 -15.240 0.409 1.00 0.00 O ATOM 504 CB ILE A 32 -1.030 -16.921 2.050 1.00 0.00 C ATOM 505 CG1 ILE A 32 -2.244 -16.226 1.430 1.00 0.00 C ATOM 506 CG2 ILE A 32 -1.452 -17.779 3.234 1.00 0.00 C ATOM 507 CD1 ILE A 32 -3.195 -17.176 0.735 1.00 0.00 C ATOM 0 H ILE A 32 -1.341 -15.420 4.019 1.00 0.00 H new ATOM 0 HA ILE A 32 0.940 -16.395 2.752 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.582 -17.569 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.784 -15.691 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.899 -15.481 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.192 -18.510 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.582 -18.298 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.885 -17.144 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.032 -16.614 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.670 -17.693 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.569 -17.906 1.453 1.00 0.00 H new ATOM 519 N PHE A 33 -0.341 -13.750 1.386 1.00 0.00 N ATOM 520 CA PHE A 33 -0.172 -12.746 0.342 1.00 0.00 C ATOM 521 C PHE A 33 1.105 -11.940 0.564 1.00 0.00 C ATOM 522 O PHE A 33 1.741 -11.488 -0.388 1.00 0.00 O ATOM 523 CB PHE A 33 -1.381 -11.809 0.306 1.00 0.00 C ATOM 524 CG PHE A 33 -2.695 -12.530 0.212 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.136 -13.040 -0.998 1.00 0.00 C ATOM 526 CD2 PHE A 33 -3.490 -12.696 1.335 1.00 0.00 C ATOM 527 CE1 PHE A 33 -4.345 -13.704 -1.087 1.00 0.00 C ATOM 528 CE2 PHE A 33 -4.699 -13.360 1.252 1.00 0.00 C ATOM 529 CZ PHE A 33 -5.128 -13.863 0.039 1.00 0.00 C ATOM 0 H PHE A 33 -0.966 -13.471 2.142 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.093 -13.262 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.378 -11.191 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.283 -11.135 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.528 -12.917 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.161 -12.302 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.677 -14.098 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.308 -13.486 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.074 -14.380 -0.028 1.00 0.00 H new ATOM 539 N SER A 34 1.472 -11.762 1.829 1.00 0.00 N ATOM 540 CA SER A 34 2.670 -11.007 2.179 1.00 0.00 C ATOM 541 C SER A 34 3.763 -11.207 1.133 1.00 0.00 C ATOM 542 O SER A 34 4.481 -10.271 0.781 1.00 0.00 O ATOM 543 CB SER A 34 3.182 -11.431 3.557 1.00 0.00 C ATOM 544 OG SER A 34 3.880 -10.372 4.189 1.00 0.00 O ATOM 0 H SER A 34 0.957 -12.130 2.629 1.00 0.00 H new ATOM 0 HA SER A 34 2.408 -9.949 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.343 -11.741 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.840 -12.294 3.454 1.00 0.00 H new ATOM 0 HG SER A 34 4.196 -10.667 5.069 1.00 0.00 H new ATOM 550 N LYS A 35 3.883 -12.435 0.641 1.00 0.00 N ATOM 551 CA LYS A 35 4.887 -12.761 -0.366 1.00 0.00 C ATOM 552 C LYS A 35 4.231 -13.299 -1.634 1.00 0.00 C ATOM 553 O LYS A 35 3.134 -13.857 -1.606 1.00 0.00 O ATOM 554 CB LYS A 35 5.876 -13.791 0.186 1.00 0.00 C ATOM 555 CG LYS A 35 5.339 -15.212 0.183 1.00 0.00 C ATOM 556 CD LYS A 35 4.017 -15.310 0.925 1.00 0.00 C ATOM 557 CE LYS A 35 3.712 -16.743 1.334 1.00 0.00 C ATOM 558 NZ LYS A 35 2.958 -17.473 0.277 1.00 0.00 N ATOM 0 H LYS A 35 3.298 -13.221 0.923 1.00 0.00 H new ATOM 0 HA LYS A 35 5.425 -11.847 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.791 -13.756 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.144 -13.515 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.206 -15.550 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.067 -15.878 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.048 -14.676 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.214 -14.933 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.644 -17.267 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.133 -16.742 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.608 -18.375 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.153 -16.895 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.586 -17.660 -0.531 1.00 0.00 H new ATOM 572 N PRO A 36 4.918 -13.130 -2.773 1.00 0.00 N ATOM 573 CA PRO A 36 4.422 -13.593 -4.073 1.00 0.00 C ATOM 574 C PRO A 36 4.421 -15.114 -4.184 1.00 0.00 C ATOM 575 O PRO A 36 5.478 -15.745 -4.206 1.00 0.00 O ATOM 576 CB PRO A 36 5.413 -12.984 -5.068 1.00 0.00 C ATOM 577 CG PRO A 36 6.666 -12.791 -4.285 1.00 0.00 C ATOM 578 CD PRO A 36 6.232 -12.474 -2.881 1.00 0.00 C ATOM 0 HA PRO A 36 3.388 -13.295 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.576 -13.645 -5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.045 -12.038 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.284 -13.689 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.265 -11.981 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.936 -12.862 -2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.159 -11.399 -2.716 1.00 0.00 H new ATOM 586 N VAL A 37 3.229 -15.696 -4.255 1.00 0.00 N ATOM 587 CA VAL A 37 3.090 -17.144 -4.366 1.00 0.00 C ATOM 588 C VAL A 37 3.338 -17.611 -5.796 1.00 0.00 C ATOM 589 O VAL A 37 2.582 -18.419 -6.336 1.00 0.00 O ATOM 590 CB VAL A 37 1.692 -17.610 -3.920 1.00 0.00 C ATOM 591 CG1 VAL A 37 1.408 -17.159 -2.495 1.00 0.00 C ATOM 592 CG2 VAL A 37 0.628 -17.089 -4.874 1.00 0.00 C ATOM 0 H VAL A 37 2.345 -15.188 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 37 3.838 -17.585 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 37 1.667 -18.699 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.416 -17.497 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.153 -17.585 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.451 -16.071 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.354 -17.428 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.651 -15.999 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.823 -17.466 -5.878 1.00 0.00 H new ATOM 602 N SER A 38 4.402 -17.098 -6.405 1.00 0.00 N ATOM 603 CA SER A 38 4.749 -17.461 -7.774 1.00 0.00 C ATOM 604 C SER A 38 6.179 -17.986 -7.852 1.00 0.00 C ATOM 605 O SER A 38 6.912 -17.971 -6.863 1.00 0.00 O ATOM 606 CB SER A 38 4.585 -16.254 -8.700 1.00 0.00 C ATOM 607 OG SER A 38 5.644 -15.329 -8.523 1.00 0.00 O ATOM 0 H SER A 38 5.039 -16.429 -5.972 1.00 0.00 H new ATOM 0 HA SER A 38 4.073 -18.253 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.559 -16.588 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.632 -15.764 -8.499 1.00 0.00 H new ATOM 0 HG SER A 38 6.258 -15.385 -9.285 1.00 0.00 H new ATOM 613 N ASP A 39 6.568 -18.451 -9.034 1.00 0.00 N ATOM 614 CA ASP A 39 7.910 -18.981 -9.243 1.00 0.00 C ATOM 615 C ASP A 39 8.889 -17.862 -9.582 1.00 0.00 C ATOM 616 O ASP A 39 10.060 -17.911 -9.203 1.00 0.00 O ATOM 617 CB ASP A 39 7.901 -20.024 -10.362 1.00 0.00 C ATOM 618 CG ASP A 39 9.289 -20.302 -10.905 1.00 0.00 C ATOM 619 OD1 ASP A 39 9.776 -19.499 -11.728 1.00 0.00 O ATOM 620 OD2 ASP A 39 9.888 -21.322 -10.507 1.00 0.00 O ATOM 0 H ASP A 39 5.973 -18.472 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 39 8.235 -19.456 -8.317 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.468 -20.951 -9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.260 -19.678 -11.172 1.00 0.00 H new ATOM 625 N TYR A 40 8.403 -16.855 -10.299 1.00 0.00 N ATOM 626 CA TYR A 40 9.236 -15.725 -10.692 1.00 0.00 C ATOM 627 C TYR A 40 8.493 -14.406 -10.500 1.00 0.00 C ATOM 628 O TYR A 40 7.364 -14.383 -10.008 1.00 0.00 O ATOM 629 CB TYR A 40 9.672 -15.869 -12.151 1.00 0.00 C ATOM 630 CG TYR A 40 11.010 -15.232 -12.450 1.00 0.00 C ATOM 631 CD1 TYR A 40 12.102 -15.438 -11.615 1.00 0.00 C ATOM 632 CD2 TYR A 40 11.184 -14.424 -13.567 1.00 0.00 C ATOM 633 CE1 TYR A 40 13.326 -14.858 -11.883 1.00 0.00 C ATOM 634 CE2 TYR A 40 12.405 -13.840 -13.844 1.00 0.00 C ATOM 635 CZ TYR A 40 13.473 -14.059 -12.999 1.00 0.00 C ATOM 636 OH TYR A 40 14.691 -13.480 -13.270 1.00 0.00 O ATOM 0 H TYR A 40 7.436 -16.798 -10.620 1.00 0.00 H new ATOM 0 HA TYR A 40 10.120 -15.719 -10.054 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.719 -16.928 -12.404 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.914 -15.421 -12.794 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.991 -16.063 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.350 -14.249 -14.230 1.00 0.00 H new ATOM 0 HE1 TYR A 40 14.164 -15.029 -11.223 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.523 -13.216 -14.717 1.00 0.00 H new ATOM 0 HH TYR A 40 14.626 -12.950 -14.092 1.00 0.00 H new ATOM 646 N LEU A 41 9.134 -13.311 -10.892 1.00 0.00 N ATOM 647 CA LEU A 41 8.534 -11.987 -10.764 1.00 0.00 C ATOM 648 C LEU A 41 8.342 -11.342 -12.133 1.00 0.00 C ATOM 649 O LEU A 41 7.686 -10.308 -12.255 1.00 0.00 O ATOM 650 CB LEU A 41 9.409 -11.092 -9.884 1.00 0.00 C ATOM 651 CG LEU A 41 10.655 -10.508 -10.551 1.00 0.00 C ATOM 652 CD1 LEU A 41 11.474 -11.608 -11.209 1.00 0.00 C ATOM 653 CD2 LEU A 41 10.268 -9.447 -11.570 1.00 0.00 C ATOM 0 H LEU A 41 10.068 -13.313 -11.301 1.00 0.00 H new ATOM 0 HA LEU A 41 7.556 -12.102 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.797 -10.268 -9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.723 -11.668 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 41 11.268 -10.038 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.357 -11.173 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.783 -12.332 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.870 -12.108 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.168 -9.043 -12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.633 -9.893 -12.336 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.725 -8.644 -11.071 1.00 0.00 H new ATOM 665 N GLU A 42 8.916 -11.961 -13.159 1.00 0.00 N ATOM 666 CA GLU A 42 8.806 -11.447 -14.519 1.00 0.00 C ATOM 667 C GLU A 42 7.805 -12.266 -15.330 1.00 0.00 C ATOM 668 O GLU A 42 7.557 -11.980 -16.502 1.00 0.00 O ATOM 669 CB GLU A 42 10.172 -11.465 -15.207 1.00 0.00 C ATOM 670 CG GLU A 42 10.965 -10.183 -15.019 1.00 0.00 C ATOM 671 CD GLU A 42 11.964 -9.945 -16.135 1.00 0.00 C ATOM 672 OE1 GLU A 42 11.681 -10.351 -17.281 1.00 0.00 O ATOM 673 OE2 GLU A 42 13.029 -9.353 -15.861 1.00 0.00 O ATOM 0 H GLU A 42 9.462 -12.819 -13.075 1.00 0.00 H new ATOM 0 HA GLU A 42 8.449 -10.419 -14.464 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.753 -12.302 -14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.030 -11.641 -16.273 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.277 -9.339 -14.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.493 -10.223 -14.066 1.00 0.00 H new ATOM 680 N VAL A 43 7.233 -13.286 -14.698 1.00 0.00 N ATOM 681 CA VAL A 43 6.259 -14.145 -15.360 1.00 0.00 C ATOM 682 C VAL A 43 4.843 -13.608 -15.185 1.00 0.00 C ATOM 683 O VAL A 43 3.936 -13.961 -15.940 1.00 0.00 O ATOM 684 CB VAL A 43 6.320 -15.585 -14.816 1.00 0.00 C ATOM 685 CG1 VAL A 43 6.030 -15.605 -13.323 1.00 0.00 C ATOM 686 CG2 VAL A 43 5.348 -16.481 -15.569 1.00 0.00 C ATOM 0 H VAL A 43 7.427 -13.537 -13.729 1.00 0.00 H new ATOM 0 HA VAL A 43 6.513 -14.153 -16.420 1.00 0.00 H new ATOM 0 HB VAL A 43 7.328 -15.971 -14.971 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.078 -16.631 -12.957 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.770 -14.998 -12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.035 -15.200 -13.140 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.405 -17.494 -15.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.334 -16.100 -15.448 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.608 -16.491 -16.627 1.00 0.00 H new ATOM 696 N ILE A 44 4.660 -12.752 -14.185 1.00 0.00 N ATOM 697 CA ILE A 44 3.355 -12.164 -13.912 1.00 0.00 C ATOM 698 C ILE A 44 3.157 -10.874 -14.701 1.00 0.00 C ATOM 699 O ILE A 44 4.108 -10.134 -14.951 1.00 0.00 O ATOM 700 CB ILE A 44 3.173 -11.868 -12.412 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.341 -13.150 -11.593 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.809 -11.245 -12.156 1.00 0.00 C ATOM 703 CD1 ILE A 44 4.753 -13.370 -11.098 1.00 0.00 C ATOM 0 H ILE A 44 5.400 -12.450 -13.551 1.00 0.00 H new ATOM 0 HA ILE A 44 2.609 -12.895 -14.223 1.00 0.00 H new ATOM 0 HB ILE A 44 3.939 -11.157 -12.102 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.666 -13.116 -10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.041 -14.003 -12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.696 -11.042 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.724 -10.313 -12.714 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.028 -11.934 -12.479 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.798 -14.297 -10.526 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.431 -13.436 -11.949 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.050 -12.536 -10.462 1.00 0.00 H new ATOM 715 N LYS A 45 1.914 -10.610 -15.090 1.00 0.00 N ATOM 716 CA LYS A 45 1.589 -9.408 -15.848 1.00 0.00 C ATOM 717 C LYS A 45 1.589 -8.178 -14.945 1.00 0.00 C ATOM 718 O LYS A 45 2.163 -7.146 -15.289 1.00 0.00 O ATOM 719 CB LYS A 45 0.222 -9.559 -16.521 1.00 0.00 C ATOM 720 CG LYS A 45 0.253 -10.417 -17.774 1.00 0.00 C ATOM 721 CD LYS A 45 0.851 -9.665 -18.951 1.00 0.00 C ATOM 722 CE LYS A 45 0.897 -10.530 -20.201 1.00 0.00 C ATOM 723 NZ LYS A 45 -0.467 -10.840 -20.711 1.00 0.00 N ATOM 0 H LYS A 45 1.115 -11.213 -14.893 1.00 0.00 H new ATOM 0 HA LYS A 45 2.353 -9.275 -16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.478 -9.996 -15.809 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.159 -8.570 -16.777 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.835 -11.319 -17.584 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.759 -10.737 -18.022 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.262 -8.769 -19.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.859 -9.335 -18.699 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.467 -10.018 -20.976 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.422 -11.459 -19.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.393 -11.314 -21.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.955 -11.465 -20.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.007 -9.957 -20.817 1.00 0.00 H new ATOM 737 N GLU A 46 0.944 -8.298 -13.790 1.00 0.00 N ATOM 738 CA GLU A 46 0.871 -7.196 -12.838 1.00 0.00 C ATOM 739 C GLU A 46 1.262 -7.659 -11.438 1.00 0.00 C ATOM 740 O GLU A 46 0.416 -7.899 -10.577 1.00 0.00 O ATOM 741 CB GLU A 46 -0.539 -6.603 -12.816 1.00 0.00 C ATOM 742 CG GLU A 46 -0.927 -5.906 -14.109 1.00 0.00 C ATOM 743 CD GLU A 46 -2.252 -5.176 -14.003 1.00 0.00 C ATOM 744 OE1 GLU A 46 -2.423 -4.395 -13.043 1.00 0.00 O ATOM 745 OE2 GLU A 46 -3.117 -5.385 -14.879 1.00 0.00 O ATOM 0 H GLU A 46 0.464 -9.147 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 46 1.575 -6.428 -13.157 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.256 -7.399 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.612 -5.891 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.146 -5.196 -14.383 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.985 -6.642 -14.911 1.00 0.00 H new ATOM 752 N PRO A 47 2.577 -7.789 -11.203 1.00 0.00 N ATOM 753 CA PRO A 47 3.111 -8.224 -9.909 1.00 0.00 C ATOM 754 C PRO A 47 2.921 -7.174 -8.820 1.00 0.00 C ATOM 755 O PRO A 47 3.280 -6.010 -8.998 1.00 0.00 O ATOM 756 CB PRO A 47 4.600 -8.436 -10.194 1.00 0.00 C ATOM 757 CG PRO A 47 4.895 -7.546 -11.351 1.00 0.00 C ATOM 758 CD PRO A 47 3.642 -7.519 -12.183 1.00 0.00 C ATOM 0 HA PRO A 47 2.603 -9.113 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.210 -8.176 -9.329 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.813 -9.478 -10.432 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.162 -6.544 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.739 -7.923 -11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.504 -6.554 -12.671 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.665 -8.273 -12.969 1.00 0.00 H new ATOM 766 N MET A 48 2.354 -7.592 -7.694 1.00 0.00 N ATOM 767 CA MET A 48 2.118 -6.687 -6.575 1.00 0.00 C ATOM 768 C MET A 48 1.782 -7.465 -5.307 1.00 0.00 C ATOM 769 O MET A 48 1.136 -8.512 -5.362 1.00 0.00 O ATOM 770 CB MET A 48 0.983 -5.717 -6.908 1.00 0.00 C ATOM 771 CG MET A 48 0.526 -4.886 -5.719 1.00 0.00 C ATOM 772 SD MET A 48 -0.440 -3.444 -6.210 1.00 0.00 S ATOM 773 CE MET A 48 0.615 -2.745 -7.477 1.00 0.00 C ATOM 0 H MET A 48 2.049 -8.552 -7.532 1.00 0.00 H new ATOM 0 HA MET A 48 3.032 -6.120 -6.400 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.309 -5.048 -7.704 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.134 -6.282 -7.294 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.071 -5.509 -5.053 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.398 -4.559 -5.153 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.457 -1.668 -7.528 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.658 -2.948 -7.235 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.373 -3.193 -8.440 1.00 0.00 H new ATOM 783 N ASP A 49 2.225 -6.948 -4.166 1.00 0.00 N ATOM 784 CA ASP A 49 1.970 -7.594 -2.884 1.00 0.00 C ATOM 785 C ASP A 49 1.844 -6.560 -1.770 1.00 0.00 C ATOM 786 O ASP A 49 1.939 -5.356 -2.012 1.00 0.00 O ATOM 787 CB ASP A 49 3.091 -8.582 -2.556 1.00 0.00 C ATOM 788 CG ASP A 49 3.372 -9.539 -3.697 1.00 0.00 C ATOM 789 OD1 ASP A 49 4.134 -9.163 -4.613 1.00 0.00 O ATOM 790 OD2 ASP A 49 2.831 -10.664 -3.675 1.00 0.00 O ATOM 0 H ASP A 49 2.762 -6.083 -4.103 1.00 0.00 H new ATOM 0 HA ASP A 49 1.028 -8.137 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.000 -8.030 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.821 -9.151 -1.667 1.00 0.00 H new ATOM 795 N LEU A 50 1.629 -7.037 -0.549 1.00 0.00 N ATOM 796 CA LEU A 50 1.488 -6.154 0.604 1.00 0.00 C ATOM 797 C LEU A 50 2.825 -5.515 0.967 1.00 0.00 C ATOM 798 O LEU A 50 2.869 -4.450 1.582 1.00 0.00 O ATOM 799 CB LEU A 50 0.940 -6.930 1.802 1.00 0.00 C ATOM 800 CG LEU A 50 -0.504 -7.420 1.681 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.814 -8.442 2.763 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.472 -6.248 1.759 1.00 0.00 C ATOM 0 H LEU A 50 1.548 -8.030 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 50 0.787 -5.362 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.582 -7.794 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.014 -6.296 2.685 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.624 -7.902 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.846 -8.779 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.142 -9.294 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.677 -7.987 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.495 -6.614 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.350 -5.738 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.265 -5.551 0.947 1.00 0.00 H new ATOM 814 N SER A 51 3.914 -6.172 0.579 1.00 0.00 N ATOM 815 CA SER A 51 5.252 -5.669 0.864 1.00 0.00 C ATOM 816 C SER A 51 5.498 -4.343 0.150 1.00 0.00 C ATOM 817 O SER A 51 5.764 -3.322 0.785 1.00 0.00 O ATOM 818 CB SER A 51 6.306 -6.693 0.440 1.00 0.00 C ATOM 819 OG SER A 51 7.503 -6.530 1.180 1.00 0.00 O ATOM 0 H SER A 51 3.895 -7.054 0.067 1.00 0.00 H new ATOM 0 HA SER A 51 5.329 -5.503 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.918 -7.701 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.515 -6.585 -0.624 1.00 0.00 H new ATOM 0 HG SER A 51 8.160 -7.198 0.891 1.00 0.00 H new ATOM 825 N THR A 52 5.408 -4.367 -1.176 1.00 0.00 N ATOM 826 CA THR A 52 5.621 -3.169 -1.978 1.00 0.00 C ATOM 827 C THR A 52 4.638 -2.069 -1.595 1.00 0.00 C ATOM 828 O THR A 52 4.880 -0.889 -1.852 1.00 0.00 O ATOM 829 CB THR A 52 5.479 -3.468 -3.482 1.00 0.00 C ATOM 830 OG1 THR A 52 6.151 -2.461 -4.247 1.00 0.00 O ATOM 831 CG2 THR A 52 4.014 -3.525 -3.887 1.00 0.00 C ATOM 0 H THR A 52 5.189 -5.203 -1.717 1.00 0.00 H new ATOM 0 HA THR A 52 6.637 -2.830 -1.777 1.00 0.00 H new ATOM 0 HB THR A 52 5.933 -4.439 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.057 -2.659 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.939 -3.737 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.511 -4.312 -3.324 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.540 -2.567 -3.674 1.00 0.00 H new ATOM 839 N VAL A 53 3.529 -2.461 -0.978 1.00 0.00 N ATOM 840 CA VAL A 53 2.509 -1.507 -0.557 1.00 0.00 C ATOM 841 C VAL A 53 2.974 -0.704 0.653 1.00 0.00 C ATOM 842 O VAL A 53 2.921 0.526 0.651 1.00 0.00 O ATOM 843 CB VAL A 53 1.186 -2.215 -0.212 1.00 0.00 C ATOM 844 CG1 VAL A 53 0.243 -1.263 0.508 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.537 -2.773 -1.469 1.00 0.00 C ATOM 0 H VAL A 53 3.313 -3.433 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 53 2.342 -0.831 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 53 1.403 -3.048 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.687 -1.781 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.710 -0.917 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.029 -0.408 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.397 -3.270 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.332 -1.959 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.210 -3.490 -1.938 1.00 0.00 H new ATOM 855 N ILE A 54 3.430 -1.408 1.683 1.00 0.00 N ATOM 856 CA ILE A 54 3.906 -0.760 2.899 1.00 0.00 C ATOM 857 C ILE A 54 5.051 0.200 2.598 1.00 0.00 C ATOM 858 O ILE A 54 5.215 1.219 3.270 1.00 0.00 O ATOM 859 CB ILE A 54 4.377 -1.793 3.940 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.208 -2.678 4.378 1.00 0.00 C ATOM 861 CG2 ILE A 54 4.996 -1.092 5.140 1.00 0.00 C ATOM 862 CD1 ILE A 54 3.635 -3.899 5.163 1.00 0.00 C ATOM 0 H ILE A 54 3.480 -2.427 1.700 1.00 0.00 H new ATOM 0 HA ILE A 54 3.065 -0.201 3.309 1.00 0.00 H new ATOM 0 HB ILE A 54 5.137 -2.427 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.523 -2.087 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.655 -2.999 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.324 -1.836 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.852 -0.501 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.256 -0.437 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.755 -4.479 5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.296 -4.512 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.162 -3.586 6.064 1.00 0.00 H new ATOM 874 N THR A 55 5.842 -0.130 1.582 1.00 0.00 N ATOM 875 CA THR A 55 6.972 0.703 1.190 1.00 0.00 C ATOM 876 C THR A 55 6.502 1.978 0.500 1.00 0.00 C ATOM 877 O THR A 55 6.848 3.085 0.914 1.00 0.00 O ATOM 878 CB THR A 55 7.929 -0.054 0.250 1.00 0.00 C ATOM 879 OG1 THR A 55 8.473 -1.196 0.920 1.00 0.00 O ATOM 880 CG2 THR A 55 9.058 0.853 -0.217 1.00 0.00 C ATOM 0 H THR A 55 5.721 -0.969 1.015 1.00 0.00 H new ATOM 0 HA THR A 55 7.505 0.964 2.105 1.00 0.00 H new ATOM 0 HB THR A 55 7.363 -0.382 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.079 -1.672 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.721 0.297 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.642 1.706 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.621 1.207 0.646 1.00 0.00 H new ATOM 888 N LYS A 56 5.710 1.817 -0.555 1.00 0.00 N ATOM 889 CA LYS A 56 5.189 2.955 -1.303 1.00 0.00 C ATOM 890 C LYS A 56 4.618 4.010 -0.360 1.00 0.00 C ATOM 891 O LYS A 56 4.944 5.193 -0.467 1.00 0.00 O ATOM 892 CB LYS A 56 4.110 2.496 -2.286 1.00 0.00 C ATOM 893 CG LYS A 56 4.650 1.662 -3.435 1.00 0.00 C ATOM 894 CD LYS A 56 3.546 0.872 -4.117 1.00 0.00 C ATOM 895 CE LYS A 56 2.749 1.743 -5.078 1.00 0.00 C ATOM 896 NZ LYS A 56 2.030 0.929 -6.097 1.00 0.00 N ATOM 0 H LYS A 56 5.415 0.908 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 56 6.013 3.399 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.362 1.915 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.603 3.372 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.135 2.313 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.412 0.977 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.980 0.032 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.878 0.454 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.030 2.340 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.421 2.441 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.499 1.558 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.718 0.379 -6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.370 0.281 -5.621 1.00 0.00 H new ATOM 910 N ILE A 57 3.765 3.574 0.561 1.00 0.00 N ATOM 911 CA ILE A 57 3.151 4.481 1.523 1.00 0.00 C ATOM 912 C ILE A 57 4.194 5.391 2.163 1.00 0.00 C ATOM 913 O ILE A 57 4.143 6.612 2.014 1.00 0.00 O ATOM 914 CB ILE A 57 2.410 3.709 2.630 1.00 0.00 C ATOM 915 CG1 ILE A 57 1.315 2.830 2.023 1.00 0.00 C ATOM 916 CG2 ILE A 57 1.819 4.676 3.645 1.00 0.00 C ATOM 917 CD1 ILE A 57 0.935 1.651 2.892 1.00 0.00 C ATOM 0 H ILE A 57 3.484 2.599 0.661 1.00 0.00 H new ATOM 0 HA ILE A 57 2.433 5.088 0.972 1.00 0.00 H new ATOM 0 HB ILE A 57 3.124 3.065 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.429 3.439 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.651 2.463 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.298 4.115 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.619 5.264 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.116 5.343 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.154 1.072 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.809 1.019 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.568 2.011 3.853 1.00 0.00 H new ATOM 929 N ASP A 58 5.139 4.788 2.876 1.00 0.00 N ATOM 930 CA ASP A 58 6.196 5.544 3.538 1.00 0.00 C ATOM 931 C ASP A 58 6.757 6.619 2.612 1.00 0.00 C ATOM 932 O ASP A 58 7.285 7.633 3.069 1.00 0.00 O ATOM 933 CB ASP A 58 7.318 4.606 3.988 1.00 0.00 C ATOM 934 CG ASP A 58 8.205 5.230 5.047 1.00 0.00 C ATOM 935 OD1 ASP A 58 7.703 5.497 6.159 1.00 0.00 O ATOM 936 OD2 ASP A 58 9.401 5.453 4.764 1.00 0.00 O ATOM 0 H ASP A 58 5.195 3.778 3.010 1.00 0.00 H new ATOM 0 HA ASP A 58 5.766 6.031 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.883 3.686 4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.925 4.331 3.126 1.00 0.00 H new ATOM 941 N LYS A 59 6.640 6.390 1.309 1.00 0.00 N ATOM 942 CA LYS A 59 7.134 7.338 0.317 1.00 0.00 C ATOM 943 C LYS A 59 6.016 8.260 -0.158 1.00 0.00 C ATOM 944 O LYS A 59 6.011 8.704 -1.307 1.00 0.00 O ATOM 945 CB LYS A 59 7.737 6.592 -0.876 1.00 0.00 C ATOM 946 CG LYS A 59 9.196 6.218 -0.684 1.00 0.00 C ATOM 947 CD LYS A 59 9.384 5.296 0.508 1.00 0.00 C ATOM 948 CE LYS A 59 10.831 5.275 0.975 1.00 0.00 C ATOM 949 NZ LYS A 59 11.106 6.341 1.978 1.00 0.00 N ATOM 0 H LYS A 59 6.207 5.555 0.914 1.00 0.00 H new ATOM 0 HA LYS A 59 7.908 7.946 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.159 5.686 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.644 7.213 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.569 5.730 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.788 7.122 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.742 5.622 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.072 4.286 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.059 4.301 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.491 5.404 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.131 6.405 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.756 7.253 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.624 6.111 2.870 1.00 0.00 H new ATOM 963 N HIS A 60 5.071 8.545 0.732 1.00 0.00 N ATOM 964 CA HIS A 60 3.949 9.417 0.403 1.00 0.00 C ATOM 965 C HIS A 60 3.479 9.181 -1.029 1.00 0.00 C ATOM 966 O HIS A 60 3.119 10.120 -1.737 1.00 0.00 O ATOM 967 CB HIS A 60 4.343 10.883 0.588 1.00 0.00 C ATOM 968 CG HIS A 60 4.326 11.331 2.017 1.00 0.00 C ATOM 969 ND1 HIS A 60 3.673 12.470 2.440 1.00 0.00 N ATOM 970 CD2 HIS A 60 4.886 10.787 3.122 1.00 0.00 C ATOM 971 CE1 HIS A 60 3.833 12.607 3.745 1.00 0.00 C ATOM 972 NE2 HIS A 60 4.565 11.599 4.183 1.00 0.00 N ATOM 0 H HIS A 60 5.060 8.185 1.686 1.00 0.00 H new ATOM 0 HA HIS A 60 3.128 9.181 1.080 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.342 11.037 0.179 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.663 11.509 0.011 1.00 0.00 H new ATOM 0 HD1 HIS A 60 3.149 13.107 1.840 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.475 9.883 3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.433 13.407 4.350 1.00 0.00 H new ATOM 981 N ASN A 61 3.487 7.920 -1.449 1.00 0.00 N ATOM 982 CA ASN A 61 3.063 7.561 -2.798 1.00 0.00 C ATOM 983 C ASN A 61 1.549 7.682 -2.943 1.00 0.00 C ATOM 984 O ASN A 61 1.044 8.059 -4.001 1.00 0.00 O ATOM 985 CB ASN A 61 3.506 6.135 -3.131 1.00 0.00 C ATOM 986 CG ASN A 61 3.468 5.851 -4.621 1.00 0.00 C ATOM 987 OD1 ASN A 61 2.397 5.716 -5.211 1.00 0.00 O ATOM 988 ND2 ASN A 61 4.642 5.760 -5.235 1.00 0.00 N ATOM 0 H ASN A 61 3.782 7.130 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 61 3.533 8.253 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.518 5.976 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.861 5.426 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.680 5.571 -6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.505 5.879 -4.705 1.00 0.00 H new ATOM 995 N TYR A 62 0.831 7.361 -1.873 1.00 0.00 N ATOM 996 CA TYR A 62 -0.626 7.432 -1.880 1.00 0.00 C ATOM 997 C TYR A 62 -1.110 8.758 -1.303 1.00 0.00 C ATOM 998 O TYR A 62 -0.903 9.048 -0.123 1.00 0.00 O ATOM 999 CB TYR A 62 -1.218 6.269 -1.083 1.00 0.00 C ATOM 1000 CG TYR A 62 -1.031 4.922 -1.745 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -1.590 4.655 -2.989 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.295 3.919 -1.128 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -1.422 3.426 -3.598 1.00 0.00 C ATOM 1004 CE2 TYR A 62 -0.121 2.687 -1.730 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.687 2.446 -2.964 1.00 0.00 C ATOM 1006 OH TYR A 62 -0.516 1.221 -3.568 1.00 0.00 O ATOM 0 H TYR A 62 1.234 7.049 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.963 7.363 -2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.758 6.246 -0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.283 6.446 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.165 5.421 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.149 4.105 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.864 3.234 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.455 1.918 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.527 1.332 -4.542 1.00 0.00 H new ATOM 1016 N LEU A 63 -1.756 9.560 -2.141 1.00 0.00 N ATOM 1017 CA LEU A 63 -2.271 10.857 -1.716 1.00 0.00 C ATOM 1018 C LEU A 63 -3.604 10.702 -0.991 1.00 0.00 C ATOM 1019 O LEU A 63 -3.989 11.552 -0.187 1.00 0.00 O ATOM 1020 CB LEU A 63 -2.439 11.782 -2.922 1.00 0.00 C ATOM 1021 CG LEU A 63 -1.150 12.355 -3.513 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -1.384 12.841 -4.935 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -0.620 13.485 -2.642 1.00 0.00 C ATOM 0 H LEU A 63 -1.936 9.335 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.551 11.297 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.962 11.233 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.082 12.612 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.402 11.562 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.456 13.245 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.717 12.008 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.148 13.619 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.297 13.881 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.365 14.278 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.412 13.106 -1.641 1.00 0.00 H new ATOM 1035 N THR A 64 -4.305 9.609 -1.278 1.00 0.00 N ATOM 1036 CA THR A 64 -5.594 9.342 -0.653 1.00 0.00 C ATOM 1037 C THR A 64 -5.687 7.895 -0.182 1.00 0.00 C ATOM 1038 O THR A 64 -4.730 7.130 -0.305 1.00 0.00 O ATOM 1039 CB THR A 64 -6.758 9.630 -1.620 1.00 0.00 C ATOM 1040 OG1 THR A 64 -6.435 9.154 -2.932 1.00 0.00 O ATOM 1041 CG2 THR A 64 -7.058 11.120 -1.676 1.00 0.00 C ATOM 0 H THR A 64 -4.001 8.895 -1.940 1.00 0.00 H new ATOM 0 HA THR A 64 -5.672 10.008 0.207 1.00 0.00 H new ATOM 0 HB THR A 64 -7.643 9.110 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.260 9.026 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.883 11.299 -2.365 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.332 11.474 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.174 11.656 -2.021 1.00 0.00 H new ATOM 1049 N ALA A 65 -6.844 7.526 0.356 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.062 6.169 0.843 1.00 0.00 C ATOM 1051 C ALA A 65 -7.816 5.332 -0.184 1.00 0.00 C ATOM 1052 O ALA A 65 -7.771 4.102 -0.152 1.00 0.00 O ATOM 1053 CB ALA A 65 -7.820 6.197 2.162 1.00 0.00 C ATOM 0 H ALA A 65 -7.645 8.147 0.466 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.088 5.707 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.976 5.177 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.243 6.752 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.785 6.682 2.017 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.509 6.005 -1.096 1.00 0.00 N ATOM 1060 CA LYS A 66 -9.273 5.324 -2.135 1.00 0.00 C ATOM 1061 C LYS A 66 -8.344 4.647 -3.138 1.00 0.00 C ATOM 1062 O LYS A 66 -8.595 3.522 -3.569 1.00 0.00 O ATOM 1063 CB LYS A 66 -10.187 6.315 -2.858 1.00 0.00 C ATOM 1064 CG LYS A 66 -11.155 5.656 -3.825 1.00 0.00 C ATOM 1065 CD LYS A 66 -12.469 5.306 -3.147 1.00 0.00 C ATOM 1066 CE LYS A 66 -12.435 3.907 -2.553 1.00 0.00 C ATOM 1067 NZ LYS A 66 -13.799 3.412 -2.220 1.00 0.00 N ATOM 0 H LYS A 66 -8.557 7.023 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.884 4.558 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.754 6.880 -2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.573 7.031 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.345 6.325 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.703 4.752 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.678 6.031 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.282 5.376 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.963 3.224 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.820 3.910 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.732 2.455 -1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.240 4.049 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.379 3.385 -3.083 1.00 0.00 H new ATOM 1081 N ASP A 67 -7.271 5.340 -3.504 1.00 0.00 N ATOM 1082 CA ASP A 67 -6.304 4.805 -4.455 1.00 0.00 C ATOM 1083 C ASP A 67 -5.582 3.594 -3.872 1.00 0.00 C ATOM 1084 O ASP A 67 -5.080 2.743 -4.608 1.00 0.00 O ATOM 1085 CB ASP A 67 -5.289 5.881 -4.842 1.00 0.00 C ATOM 1086 CG ASP A 67 -5.792 6.778 -5.956 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -6.807 6.421 -6.591 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -5.171 7.835 -6.194 1.00 0.00 O ATOM 0 H ASP A 67 -7.049 6.273 -3.157 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.845 4.489 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.057 6.488 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.360 5.404 -5.155 1.00 0.00 H new ATOM 1093 N PHE A 68 -5.532 3.523 -2.546 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.870 2.417 -1.864 1.00 0.00 C ATOM 1095 C PHE A 68 -5.708 1.145 -1.950 1.00 0.00 C ATOM 1096 O PHE A 68 -5.187 0.060 -2.213 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.613 2.774 -0.399 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.536 1.577 0.506 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -3.408 0.773 0.518 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -5.592 1.255 1.343 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -3.333 -0.329 1.349 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -5.524 0.155 2.176 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.393 -0.639 2.178 1.00 0.00 C ATOM 0 H PHE A 68 -5.942 4.218 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.916 2.236 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.680 3.334 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.408 3.433 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.577 1.010 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.479 1.871 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.447 -0.947 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.354 -0.084 2.825 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.338 -1.501 2.827 1.00 0.00 H new ATOM 1113 N LEU A 69 -7.010 1.285 -1.725 1.00 0.00 N ATOM 1114 CA LEU A 69 -7.922 0.148 -1.776 1.00 0.00 C ATOM 1115 C LEU A 69 -7.872 -0.530 -3.141 1.00 0.00 C ATOM 1116 O LEU A 69 -7.946 -1.755 -3.242 1.00 0.00 O ATOM 1117 CB LEU A 69 -9.351 0.601 -1.471 1.00 0.00 C ATOM 1118 CG LEU A 69 -9.716 0.722 0.009 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -11.097 1.339 0.170 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -9.656 -0.639 0.686 1.00 0.00 C ATOM 0 H LEU A 69 -7.458 2.175 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.607 -0.573 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.513 1.569 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.041 -0.102 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.990 1.377 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.339 1.417 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.106 2.332 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.836 0.710 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.919 -0.534 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.359 -1.317 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.647 -1.043 0.603 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.743 0.274 -4.191 1.00 0.00 N ATOM 1133 CA LYS A 70 -7.678 -0.247 -5.551 1.00 0.00 C ATOM 1134 C LYS A 70 -6.535 -1.246 -5.698 1.00 0.00 C ATOM 1135 O LYS A 70 -6.670 -2.262 -6.380 1.00 0.00 O ATOM 1136 CB LYS A 70 -7.499 0.899 -6.550 1.00 0.00 C ATOM 1137 CG LYS A 70 -8.785 1.649 -6.852 1.00 0.00 C ATOM 1138 CD LYS A 70 -8.581 2.689 -7.941 1.00 0.00 C ATOM 1139 CE LYS A 70 -9.859 3.467 -8.216 1.00 0.00 C ATOM 1140 NZ LYS A 70 -9.603 4.683 -9.035 1.00 0.00 N ATOM 0 H LYS A 70 -7.681 1.290 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.616 -0.762 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.763 1.600 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.094 0.499 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.555 0.943 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.145 2.136 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.791 3.379 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.248 2.199 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.571 2.824 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.319 3.756 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.499 5.185 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.943 5.309 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.188 4.406 -9.947 1.00 0.00 H new ATOM 1154 N ASP A 71 -5.413 -0.952 -5.052 1.00 0.00 N ATOM 1155 CA ASP A 71 -4.247 -1.827 -5.108 1.00 0.00 C ATOM 1156 C ASP A 71 -4.561 -3.191 -4.501 1.00 0.00 C ATOM 1157 O ASP A 71 -4.133 -4.224 -5.017 1.00 0.00 O ATOM 1158 CB ASP A 71 -3.067 -1.188 -4.374 1.00 0.00 C ATOM 1159 CG ASP A 71 -2.574 0.072 -5.057 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -3.275 1.103 -4.979 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -1.487 0.028 -5.672 1.00 0.00 O ATOM 0 H ASP A 71 -5.285 -0.115 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.980 -1.968 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.364 -0.952 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.250 -1.907 -4.311 1.00 0.00 H new ATOM 1166 N ILE A 72 -5.309 -3.186 -3.403 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.680 -4.423 -2.727 1.00 0.00 C ATOM 1168 C ILE A 72 -6.597 -5.273 -3.600 1.00 0.00 C ATOM 1169 O ILE A 72 -6.478 -6.498 -3.634 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.382 -4.142 -1.385 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.499 -3.264 -0.496 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -6.721 -5.447 -0.681 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -4.040 -3.663 -0.513 1.00 0.00 C ATOM 0 H ILE A 72 -5.670 -2.340 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.756 -4.969 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.311 -3.607 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.588 -2.227 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.868 -3.310 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.217 -5.232 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.385 -6.039 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.805 -6.007 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.473 -2.998 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.939 -4.689 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.654 -3.589 -1.530 1.00 0.00 H new ATOM 1185 N ASP A 73 -7.511 -4.615 -4.305 1.00 0.00 N ATOM 1186 CA ASP A 73 -8.447 -5.310 -5.181 1.00 0.00 C ATOM 1187 C ASP A 73 -7.703 -6.118 -6.239 1.00 0.00 C ATOM 1188 O ASP A 73 -8.243 -7.073 -6.800 1.00 0.00 O ATOM 1189 CB ASP A 73 -9.388 -4.309 -5.853 1.00 0.00 C ATOM 1190 CG ASP A 73 -10.326 -4.972 -6.843 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -10.527 -6.199 -6.739 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -10.858 -4.262 -7.723 1.00 0.00 O ATOM 0 H ASP A 73 -7.624 -3.601 -4.287 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.035 -5.997 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.973 -3.796 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.799 -3.550 -6.367 1.00 0.00 H new ATOM 1197 N LEU A 74 -6.462 -5.729 -6.509 1.00 0.00 N ATOM 1198 CA LEU A 74 -5.643 -6.417 -7.502 1.00 0.00 C ATOM 1199 C LEU A 74 -4.995 -7.662 -6.905 1.00 0.00 C ATOM 1200 O LEU A 74 -5.110 -8.758 -7.455 1.00 0.00 O ATOM 1201 CB LEU A 74 -4.565 -5.476 -8.042 1.00 0.00 C ATOM 1202 CG LEU A 74 -3.557 -6.096 -9.010 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -4.217 -6.401 -10.346 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -2.363 -5.172 -9.202 1.00 0.00 C ATOM 0 H LEU A 74 -6.000 -4.941 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.292 -6.725 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.057 -4.643 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.018 -5.059 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.201 -7.033 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.484 -6.842 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.038 -7.102 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.602 -5.479 -10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.656 -5.630 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.702 -4.219 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.874 -5.005 -8.242 1.00 0.00 H new ATOM 1216 N ILE A 75 -4.316 -7.486 -5.776 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.653 -8.596 -5.104 1.00 0.00 C ATOM 1218 C ILE A 75 -4.532 -9.842 -5.101 1.00 0.00 C ATOM 1219 O ILE A 75 -4.149 -10.885 -5.631 1.00 0.00 O ATOM 1220 CB ILE A 75 -3.287 -8.236 -3.651 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -2.327 -7.045 -3.624 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.671 -9.436 -2.948 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -1.760 -6.758 -2.251 1.00 0.00 C ATOM 0 H ILE A 75 -4.211 -6.586 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.739 -8.801 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.197 -7.956 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.506 -7.235 -4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.849 -6.159 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.418 -9.166 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.385 -10.260 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.768 -9.743 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.088 -5.902 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.574 -6.537 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.209 -7.629 -1.896 1.00 0.00 H new ATOM 1235 N CYS A 76 -5.713 -9.724 -4.503 1.00 0.00 N ATOM 1236 CA CYS A 76 -6.648 -10.841 -4.433 1.00 0.00 C ATOM 1237 C CYS A 76 -6.722 -11.574 -5.768 1.00 0.00 C ATOM 1238 O CYS A 76 -6.825 -12.800 -5.811 1.00 0.00 O ATOM 1239 CB CYS A 76 -8.038 -10.345 -4.031 1.00 0.00 C ATOM 1240 SG CYS A 76 -8.113 -9.615 -2.379 1.00 0.00 S ATOM 0 H CYS A 76 -6.045 -8.867 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.286 -11.538 -3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.372 -9.606 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.738 -11.179 -4.080 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.801 -10.389 -1.593 1.00 0.00 H new ATOM 1246 N SER A 77 -6.671 -10.814 -6.858 1.00 0.00 N ATOM 1247 CA SER A 77 -6.738 -11.390 -8.195 1.00 0.00 C ATOM 1248 C SER A 77 -5.412 -12.043 -8.573 1.00 0.00 C ATOM 1249 O SER A 77 -5.359 -13.234 -8.877 1.00 0.00 O ATOM 1250 CB SER A 77 -7.098 -10.313 -9.220 1.00 0.00 C ATOM 1251 OG SER A 77 -7.790 -10.870 -10.325 1.00 0.00 O ATOM 0 H SER A 77 -6.583 -9.798 -6.841 1.00 0.00 H new ATOM 0 HA SER A 77 -7.514 -12.156 -8.195 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.716 -9.549 -8.748 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.190 -9.819 -9.567 1.00 0.00 H new ATOM 0 HG SER A 77 -8.010 -10.161 -10.964 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.343 -11.254 -8.549 1.00 0.00 N ATOM 1258 CA ASN A 78 -3.016 -11.755 -8.889 1.00 0.00 C ATOM 1259 C ASN A 78 -2.836 -13.191 -8.407 1.00 0.00 C ATOM 1260 O ASN A 78 -2.193 -14.004 -9.071 1.00 0.00 O ATOM 1261 CB ASN A 78 -1.938 -10.860 -8.274 1.00 0.00 C ATOM 1262 CG ASN A 78 -1.961 -9.454 -8.842 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -2.903 -9.067 -9.534 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -0.920 -8.682 -8.553 1.00 0.00 N ATOM 0 H ASN A 78 -4.369 -10.266 -8.298 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.916 -11.740 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.079 -10.815 -7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.958 -11.304 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.879 -7.727 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.161 -9.044 -7.976 1.00 0.00 H new ATOM 1271 N ALA A 79 -3.410 -13.496 -7.247 1.00 0.00 N ATOM 1272 CA ALA A 79 -3.315 -14.834 -6.677 1.00 0.00 C ATOM 1273 C ALA A 79 -3.969 -15.867 -7.589 1.00 0.00 C ATOM 1274 O ALA A 79 -3.284 -16.638 -8.263 1.00 0.00 O ATOM 1275 CB ALA A 79 -3.954 -14.866 -5.297 1.00 0.00 C ATOM 0 H ALA A 79 -3.945 -12.835 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.259 -15.088 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.876 -15.871 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.440 -14.163 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.005 -14.587 -5.376 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.298 -15.877 -7.605 1.00 0.00 N ATOM 1282 CA LEU A 80 -6.045 -16.817 -8.435 1.00 0.00 C ATOM 1283 C LEU A 80 -5.355 -17.024 -9.780 1.00 0.00 C ATOM 1284 O LEU A 80 -4.931 -18.132 -10.106 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.472 -16.311 -8.653 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.432 -16.483 -7.476 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.613 -15.534 -7.607 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -8.912 -17.925 -7.386 1.00 0.00 C ATOM 0 H LEU A 80 -5.880 -15.246 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.081 -17.775 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.426 -15.252 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.891 -16.827 -9.516 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.897 -16.240 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.285 -15.671 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.253 -14.505 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.148 -15.745 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.595 -18.029 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.429 -18.194 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.056 -18.585 -7.244 1.00 0.00 H new ATOM 1300 N GLU A 81 -5.246 -15.949 -10.554 1.00 0.00 N ATOM 1301 CA GLU A 81 -4.606 -16.014 -11.863 1.00 0.00 C ATOM 1302 C GLU A 81 -3.445 -17.004 -11.853 1.00 0.00 C ATOM 1303 O GLU A 81 -3.437 -17.976 -12.609 1.00 0.00 O ATOM 1304 CB GLU A 81 -4.106 -14.629 -12.280 1.00 0.00 C ATOM 1305 CG GLU A 81 -5.216 -13.684 -12.707 1.00 0.00 C ATOM 1306 CD GLU A 81 -5.825 -14.065 -14.042 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -5.111 -13.992 -15.064 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -7.018 -14.436 -14.065 1.00 0.00 O ATOM 0 H GLU A 81 -5.592 -15.024 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.347 -16.358 -12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.561 -14.183 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.399 -14.740 -13.102 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.995 -13.677 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.821 -12.670 -12.768 1.00 0.00 H new ATOM 1315 N TYR A 82 -2.466 -16.750 -10.992 1.00 0.00 N ATOM 1316 CA TYR A 82 -1.298 -17.616 -10.885 1.00 0.00 C ATOM 1317 C TYR A 82 -1.372 -18.477 -9.627 1.00 0.00 C ATOM 1318 O TYR A 82 -0.860 -18.102 -8.574 1.00 0.00 O ATOM 1319 CB TYR A 82 -0.017 -16.781 -10.870 1.00 0.00 C ATOM 1320 CG TYR A 82 0.128 -15.874 -12.070 1.00 0.00 C ATOM 1321 CD1 TYR A 82 -0.741 -14.808 -12.269 1.00 0.00 C ATOM 1322 CD2 TYR A 82 1.134 -16.082 -13.006 1.00 0.00 C ATOM 1323 CE1 TYR A 82 -0.613 -13.977 -13.365 1.00 0.00 C ATOM 1324 CE2 TYR A 82 1.271 -15.255 -14.104 1.00 0.00 C ATOM 1325 CZ TYR A 82 0.395 -14.204 -14.279 1.00 0.00 C ATOM 1326 OH TYR A 82 0.527 -13.379 -15.372 1.00 0.00 O ATOM 0 H TYR A 82 -2.458 -15.951 -10.358 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.284 -18.274 -11.754 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.002 -16.176 -9.963 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.842 -17.450 -10.825 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.530 -14.626 -11.554 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.821 -16.905 -12.873 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.298 -13.154 -13.506 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.059 -15.430 -14.821 1.00 0.00 H new ATOM 0 HH TYR A 82 1.286 -13.675 -15.916 1.00 0.00 H new ATOM 1431 N ASP A 90 -4.988 -24.076 -2.774 1.00 0.00 N ATOM 1432 CA ASP A 90 -5.838 -23.321 -3.688 1.00 0.00 C ATOM 1433 C ASP A 90 -7.313 -23.560 -3.380 1.00 0.00 C ATOM 1434 O ASP A 90 -8.115 -22.625 -3.364 1.00 0.00 O ATOM 1435 CB ASP A 90 -5.537 -23.709 -5.136 1.00 0.00 C ATOM 1436 CG ASP A 90 -6.590 -23.203 -6.102 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -7.670 -23.825 -6.183 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -6.335 -22.183 -6.776 1.00 0.00 O ATOM 0 HA ASP A 90 -5.624 -22.261 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.564 -23.309 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.470 -24.794 -5.212 1.00 0.00 H new ATOM 1443 N LYS A 91 -7.665 -24.818 -3.137 1.00 0.00 N ATOM 1444 CA LYS A 91 -9.044 -25.181 -2.829 1.00 0.00 C ATOM 1445 C LYS A 91 -9.601 -24.306 -1.711 1.00 0.00 C ATOM 1446 O LYS A 91 -10.815 -24.192 -1.546 1.00 0.00 O ATOM 1447 CB LYS A 91 -9.126 -26.655 -2.426 1.00 0.00 C ATOM 1448 CG LYS A 91 -8.779 -27.614 -3.552 1.00 0.00 C ATOM 1449 CD LYS A 91 -10.002 -27.964 -4.383 1.00 0.00 C ATOM 1450 CE LYS A 91 -9.623 -28.755 -5.626 1.00 0.00 C ATOM 1451 NZ LYS A 91 -9.189 -30.140 -5.291 1.00 0.00 N ATOM 0 H LYS A 91 -7.015 -25.604 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.644 -25.021 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.451 -26.832 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.135 -26.871 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.019 -27.165 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.348 -28.525 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.699 -28.545 -3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.518 -27.050 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.475 -28.796 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.820 -28.240 -6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.939 -30.646 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.360 -30.102 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.964 -30.640 -4.811 1.00 0.00 H new ATOM 1465 N ILE A 92 -8.705 -23.688 -0.948 1.00 0.00 N ATOM 1466 CA ILE A 92 -9.108 -22.821 0.152 1.00 0.00 C ATOM 1467 C ILE A 92 -8.854 -21.355 -0.182 1.00 0.00 C ATOM 1468 O ILE A 92 -9.630 -20.478 0.198 1.00 0.00 O ATOM 1469 CB ILE A 92 -8.363 -23.177 1.452 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -8.830 -24.536 1.978 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -8.578 -22.095 2.499 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -8.601 -25.672 1.006 1.00 0.00 C ATOM 0 H ILE A 92 -7.696 -23.772 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.176 -22.977 0.301 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.296 -23.239 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.308 -24.755 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.893 -24.479 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.045 -22.361 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.200 -21.144 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.643 -22.003 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.956 -26.604 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.146 -25.476 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.536 -25.756 0.789 1.00 0.00 H new ATOM 1484 N ILE A 93 -7.763 -21.097 -0.895 1.00 0.00 N ATOM 1485 CA ILE A 93 -7.408 -19.738 -1.283 1.00 0.00 C ATOM 1486 C ILE A 93 -8.560 -19.056 -2.012 1.00 0.00 C ATOM 1487 O ILE A 93 -8.838 -17.877 -1.790 1.00 0.00 O ATOM 1488 CB ILE A 93 -6.160 -19.718 -2.186 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -4.908 -20.042 -1.369 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -6.020 -18.364 -2.865 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -3.666 -20.224 -2.213 1.00 0.00 C ATOM 0 H ILE A 93 -7.110 -21.812 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.190 -19.194 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.275 -20.480 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.735 -19.240 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.084 -20.952 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.134 -18.365 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.903 -18.170 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.923 -17.586 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.818 -20.451 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.819 -21.045 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.465 -19.307 -2.767 1.00 0.00 H new ATOM 1503 N ARG A 94 -9.229 -19.805 -2.883 1.00 0.00 N ATOM 1504 CA ARG A 94 -10.352 -19.272 -3.645 1.00 0.00 C ATOM 1505 C ARG A 94 -11.271 -18.445 -2.751 1.00 0.00 C ATOM 1506 O ARG A 94 -12.012 -17.586 -3.231 1.00 0.00 O ATOM 1507 CB ARG A 94 -11.142 -20.411 -4.292 1.00 0.00 C ATOM 1508 CG ARG A 94 -10.518 -20.932 -5.577 1.00 0.00 C ATOM 1509 CD ARG A 94 -11.552 -21.607 -6.465 1.00 0.00 C ATOM 1510 NE ARG A 94 -11.193 -21.530 -7.878 1.00 0.00 N ATOM 1511 CZ ARG A 94 -11.311 -20.427 -8.608 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -11.776 -19.312 -8.060 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -10.963 -20.436 -9.888 1.00 0.00 N ATOM 0 H ARG A 94 -9.013 -20.782 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.955 -18.624 -4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.228 -21.232 -3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.154 -20.066 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.055 -20.107 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.725 -21.640 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.654 -22.652 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.524 -21.137 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.831 -22.370 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.044 -19.301 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.866 -18.466 -8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.604 -21.291 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.054 -19.588 -10.447 1.00 0.00 H new ATOM 1527 N HIS A 95 -11.219 -18.710 -1.450 1.00 0.00 N ATOM 1528 CA HIS A 95 -12.047 -17.990 -0.489 1.00 0.00 C ATOM 1529 C HIS A 95 -11.232 -16.926 0.241 1.00 0.00 C ATOM 1530 O HIS A 95 -11.478 -15.730 0.090 1.00 0.00 O ATOM 1531 CB HIS A 95 -12.657 -18.963 0.520 1.00 0.00 C ATOM 1532 CG HIS A 95 -13.935 -18.472 1.127 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -14.107 -17.180 1.578 1.00 0.00 N ATOM 1534 CD2 HIS A 95 -15.109 -19.107 1.355 1.00 0.00 C ATOM 1535 CE1 HIS A 95 -15.330 -17.043 2.059 1.00 0.00 C ATOM 1536 NE2 HIS A 95 -15.958 -18.198 1.935 1.00 0.00 N ATOM 0 H HIS A 95 -10.612 -19.418 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.849 -17.496 -1.037 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.842 -19.917 0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -11.935 -19.150 1.315 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -15.335 -20.137 1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -15.745 -16.140 2.482 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -16.918 -18.384 2.224 1.00 0.00 H new ATOM 1545 N ARG A 96 -10.262 -17.371 1.033 1.00 0.00 N ATOM 1546 CA ARG A 96 -9.412 -16.458 1.788 1.00 0.00 C ATOM 1547 C ARG A 96 -9.093 -15.210 0.969 1.00 0.00 C ATOM 1548 O ARG A 96 -8.872 -14.133 1.521 1.00 0.00 O ATOM 1549 CB ARG A 96 -8.115 -17.156 2.200 1.00 0.00 C ATOM 1550 CG ARG A 96 -8.261 -18.034 3.432 1.00 0.00 C ATOM 1551 CD ARG A 96 -7.179 -19.101 3.488 1.00 0.00 C ATOM 1552 NE ARG A 96 -5.982 -18.630 4.179 1.00 0.00 N ATOM 1553 CZ ARG A 96 -4.911 -19.386 4.391 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -4.887 -20.642 3.968 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -3.859 -18.886 5.028 1.00 0.00 N ATOM 0 H ARG A 96 -10.045 -18.358 1.169 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.953 -16.155 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.761 -17.766 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.351 -16.402 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.211 -17.416 4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.242 -18.509 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.567 -19.984 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.917 -19.405 2.475 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.968 -17.668 4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.693 -21.031 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.063 -21.220 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.873 -17.920 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.037 -19.468 5.190 1.00 0.00 H new ATOM 1569 N ALA A 97 -9.070 -15.365 -0.351 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.779 -14.252 -1.246 1.00 0.00 C ATOM 1571 C ALA A 97 -9.974 -13.311 -1.359 1.00 0.00 C ATOM 1572 O ALA A 97 -9.835 -12.096 -1.212 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.381 -14.770 -2.620 1.00 0.00 C ATOM 0 H ALA A 97 -9.249 -16.251 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.945 -13.689 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.167 -13.928 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.493 -15.396 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.198 -15.358 -3.038 1.00 0.00 H new ATOM 1579 N CYS A 98 -11.146 -13.880 -1.620 1.00 0.00 N ATOM 1580 CA CYS A 98 -12.365 -13.091 -1.754 1.00 0.00 C ATOM 1581 C CYS A 98 -12.654 -12.315 -0.473 1.00 0.00 C ATOM 1582 O CYS A 98 -13.196 -11.210 -0.512 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.549 -13.998 -2.093 1.00 0.00 C ATOM 1584 SG CYS A 98 -15.102 -13.113 -2.367 1.00 0.00 S ATOM 0 H CYS A 98 -11.278 -14.884 -1.743 1.00 0.00 H new ATOM 0 HA CYS A 98 -12.219 -12.377 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -13.308 -14.573 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -13.689 -14.713 -1.282 1.00 0.00 H new ATOM 0 HG CYS A 98 -15.059 -11.964 -1.761 1.00 0.00 H new ATOM 1590 N THR A 99 -12.290 -12.902 0.663 1.00 0.00 N ATOM 1591 CA THR A 99 -12.512 -12.268 1.956 1.00 0.00 C ATOM 1592 C THR A 99 -11.575 -11.083 2.156 1.00 0.00 C ATOM 1593 O THR A 99 -12.000 -10.004 2.572 1.00 0.00 O ATOM 1594 CB THR A 99 -12.314 -13.265 3.113 1.00 0.00 C ATOM 1595 OG1 THR A 99 -13.160 -14.406 2.927 1.00 0.00 O ATOM 1596 CG2 THR A 99 -12.624 -12.611 4.451 1.00 0.00 C ATOM 0 H THR A 99 -11.840 -13.816 0.713 1.00 0.00 H new ATOM 0 HA THR A 99 -13.544 -11.917 1.962 1.00 0.00 H new ATOM 0 HB THR A 99 -11.271 -13.582 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.027 -15.036 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.477 -13.335 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.959 -11.761 4.603 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.659 -12.268 4.457 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.297 -11.289 1.858 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.297 -10.236 2.004 1.00 0.00 C ATOM 1606 C LEU A 100 -9.798 -8.924 1.409 1.00 0.00 C ATOM 1607 O LEU A 100 -9.600 -7.853 1.984 1.00 0.00 O ATOM 1608 CB LEU A 100 -7.989 -10.650 1.327 1.00 0.00 C ATOM 1609 CG LEU A 100 -6.960 -9.538 1.120 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.542 -8.943 2.456 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -5.748 -10.067 0.367 1.00 0.00 C ATOM 0 H LEU A 100 -9.928 -12.176 1.514 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.116 -10.085 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.528 -11.438 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.227 -11.083 0.355 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.419 -8.750 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.809 -8.153 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.415 -8.528 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.101 -9.721 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.026 -9.262 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.288 -10.873 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.061 -10.445 -0.606 1.00 0.00 H new ATOM 1623 N LYS A 101 -10.450 -9.013 0.255 1.00 0.00 N ATOM 1624 CA LYS A 101 -10.984 -7.835 -0.416 1.00 0.00 C ATOM 1625 C LYS A 101 -12.031 -7.142 0.449 1.00 0.00 C ATOM 1626 O LYS A 101 -11.806 -6.041 0.952 1.00 0.00 O ATOM 1627 CB LYS A 101 -11.597 -8.223 -1.764 1.00 0.00 C ATOM 1628 CG LYS A 101 -12.274 -7.068 -2.480 1.00 0.00 C ATOM 1629 CD LYS A 101 -12.388 -7.328 -3.973 1.00 0.00 C ATOM 1630 CE LYS A 101 -13.557 -6.569 -4.583 1.00 0.00 C ATOM 1631 NZ LYS A 101 -13.710 -6.860 -6.035 1.00 0.00 N ATOM 0 H LYS A 101 -10.621 -9.891 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.161 -7.141 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.815 -8.629 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.325 -9.019 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.268 -6.911 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.708 -6.152 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.463 -7.031 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.515 -8.396 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.476 -6.836 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.409 -5.499 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.438 -6.237 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.805 -6.694 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.994 -7.852 -6.162 1.00 0.00 H new ATOM 1645 N ASP A 102 -13.176 -7.795 0.621 1.00 0.00 N ATOM 1646 CA ASP A 102 -14.257 -7.242 1.429 1.00 0.00 C ATOM 1647 C ASP A 102 -13.737 -6.768 2.782 1.00 0.00 C ATOM 1648 O ASP A 102 -14.307 -5.867 3.398 1.00 0.00 O ATOM 1649 CB ASP A 102 -15.357 -8.286 1.629 1.00 0.00 C ATOM 1650 CG ASP A 102 -16.177 -8.031 2.878 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -16.671 -6.896 3.041 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -16.324 -8.966 3.693 1.00 0.00 O ATOM 0 H ASP A 102 -13.379 -8.707 0.212 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.672 -6.384 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -16.015 -8.287 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.907 -9.277 1.689 1.00 0.00 H new ATOM 1657 N THR A 103 -12.650 -7.381 3.241 1.00 0.00 N ATOM 1658 CA THR A 103 -12.054 -7.024 4.522 1.00 0.00 C ATOM 1659 C THR A 103 -11.422 -5.638 4.466 1.00 0.00 C ATOM 1660 O THR A 103 -11.708 -4.781 5.302 1.00 0.00 O ATOM 1661 CB THR A 103 -10.984 -8.046 4.949 1.00 0.00 C ATOM 1662 OG1 THR A 103 -11.557 -9.357 5.012 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.394 -7.680 6.302 1.00 0.00 C ATOM 0 H THR A 103 -12.164 -8.128 2.744 1.00 0.00 H new ATOM 0 HA THR A 103 -12.860 -7.025 5.256 1.00 0.00 H new ATOM 0 HB THR A 103 -10.185 -8.033 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.756 -9.671 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.641 -8.417 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.933 -6.694 6.243 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.185 -7.667 7.052 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.562 -5.424 3.476 1.00 0.00 N ATOM 1672 CA ALA A 104 -9.892 -4.140 3.311 1.00 0.00 C ATOM 1673 C ALA A 104 -10.897 -3.028 3.031 1.00 0.00 C ATOM 1674 O ALA A 104 -10.986 -2.054 3.781 1.00 0.00 O ATOM 1675 CB ALA A 104 -8.867 -4.220 2.189 1.00 0.00 C ATOM 0 H ALA A 104 -10.313 -6.123 2.776 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.378 -3.904 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.374 -3.254 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.124 -4.981 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.368 -4.482 1.257 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.654 -3.178 1.949 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.653 -2.185 1.571 1.00 0.00 C ATOM 1683 C HIS A 105 -13.605 -1.904 2.730 1.00 0.00 C ATOM 1684 O HIS A 105 -14.287 -0.880 2.750 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.443 -2.664 0.352 1.00 0.00 C ATOM 1686 CG HIS A 105 -12.789 -2.334 -0.954 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -13.088 -1.201 -1.680 1.00 0.00 N ATOM 1688 CD2 HIS A 105 -11.843 -2.995 -1.662 1.00 0.00 C ATOM 1689 CE1 HIS A 105 -12.357 -1.180 -2.780 1.00 0.00 C ATOM 1690 NE2 HIS A 105 -11.593 -2.257 -2.793 1.00 0.00 N ATOM 0 H HIS A 105 -11.595 -3.978 1.319 1.00 0.00 H new ATOM 0 HA HIS A 105 -12.133 -1.261 1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.578 -3.744 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.437 -2.216 0.375 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.373 -3.928 -1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.380 -0.413 -3.540 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -10.925 -2.501 -3.524 1.00 0.00 H new ATOM 1699 N ALA A 106 -13.645 -2.819 3.692 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.511 -2.669 4.854 1.00 0.00 C ATOM 1701 C ALA A 106 -13.833 -1.841 5.941 1.00 0.00 C ATOM 1702 O ALA A 106 -14.384 -0.846 6.411 1.00 0.00 O ATOM 1703 CB ALA A 106 -14.907 -4.034 5.398 1.00 0.00 C ATOM 0 H ALA A 106 -13.087 -3.673 3.689 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.411 -2.141 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.554 -3.906 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.439 -4.592 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.012 -4.583 5.690 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.635 -2.260 6.336 1.00 0.00 N ATOM 1710 CA ILE A 107 -11.882 -1.557 7.367 1.00 0.00 C ATOM 1711 C ILE A 107 -11.761 -0.072 7.043 1.00 0.00 C ATOM 1712 O ILE A 107 -11.895 0.779 7.924 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.471 -2.150 7.537 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.559 -3.614 7.974 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.673 -1.337 8.546 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.274 -4.385 7.766 1.00 0.00 C ATOM 0 H ILE A 107 -12.165 -3.083 5.958 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.434 -1.680 8.299 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.956 -2.107 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.831 -3.654 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.360 -4.103 7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.678 -1.768 8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.586 -0.308 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.183 -1.351 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.410 -5.414 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.012 -4.376 6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.474 -3.921 8.342 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.509 0.233 5.775 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.373 1.616 5.334 1.00 0.00 C ATOM 1730 C ILE A 108 -12.690 2.371 5.480 1.00 0.00 C ATOM 1731 O ILE A 108 -12.740 3.441 6.085 1.00 0.00 O ATOM 1732 CB ILE A 108 -10.908 1.696 3.868 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.541 1.027 3.707 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -10.851 3.146 3.409 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.442 1.698 4.501 1.00 0.00 C ATOM 0 H ILE A 108 -11.395 -0.459 5.034 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.619 2.078 5.971 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.627 1.165 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.617 -0.015 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.268 1.027 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.521 3.186 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.842 3.593 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.150 3.698 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.502 1.171 4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.338 2.733 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.693 1.674 5.561 1.00 0.00 H new ATOM 1747 N ALA A 109 -13.755 1.805 4.921 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.074 2.422 4.992 1.00 0.00 C ATOM 1749 C ALA A 109 -15.482 2.680 6.439 1.00 0.00 C ATOM 1750 O ALA A 109 -16.009 3.744 6.764 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.106 1.545 4.299 1.00 0.00 C ATOM 0 H ALA A 109 -13.730 0.920 4.414 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.026 3.382 4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.086 2.019 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -15.830 1.416 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.143 0.571 4.787 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.236 1.700 7.302 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.577 1.822 8.714 1.00 0.00 C ATOM 1759 C ALA A 110 -14.726 2.889 9.394 1.00 0.00 C ATOM 1760 O ALA A 110 -15.250 3.783 10.058 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.408 0.483 9.415 1.00 0.00 C ATOM 0 H ALA A 110 -14.802 0.813 7.048 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.621 2.128 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.666 0.589 10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.064 -0.255 8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.373 0.154 9.326 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.411 2.788 9.224 1.00 0.00 N ATOM 1768 CA GLU A 111 -12.489 3.745 9.824 1.00 0.00 C ATOM 1769 C GLU A 111 -12.539 5.083 9.091 1.00 0.00 C ATOM 1770 O GLU A 111 -13.027 6.079 9.627 1.00 0.00 O ATOM 1771 CB GLU A 111 -11.062 3.193 9.802 1.00 0.00 C ATOM 1772 CG GLU A 111 -10.842 2.036 10.763 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.388 1.877 11.161 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -8.869 2.755 11.881 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -8.768 0.872 10.753 1.00 0.00 O ATOM 0 H GLU A 111 -12.961 2.054 8.677 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.794 3.905 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.824 2.864 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.367 3.996 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.445 2.192 11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.191 1.113 10.300 1.00 0.00 H new ATOM 1782 N LEU A 112 -12.032 5.097 7.863 1.00 0.00 N ATOM 1783 CA LEU A 112 -12.018 6.312 7.056 1.00 0.00 C ATOM 1784 C LEU A 112 -13.407 6.940 6.993 1.00 0.00 C ATOM 1785 O LEU A 112 -14.371 6.298 6.576 1.00 0.00 O ATOM 1786 CB LEU A 112 -11.522 6.003 5.642 1.00 0.00 C ATOM 1787 CG LEU A 112 -11.206 7.212 4.762 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -9.804 7.729 5.049 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -11.353 6.855 3.290 1.00 0.00 C ATOM 0 H LEU A 112 -11.626 4.281 7.405 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.338 7.023 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.624 5.391 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.277 5.399 5.138 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.919 8.003 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.596 8.590 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.733 8.025 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.077 6.943 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.124 7.728 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.665 6.047 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.376 6.533 3.094 1.00 0.00 H new ATOM 1801 N ASP A 113 -13.501 8.198 7.409 1.00 0.00 N ATOM 1802 CA ASP A 113 -14.771 8.915 7.397 1.00 0.00 C ATOM 1803 C ASP A 113 -14.987 9.615 6.059 1.00 0.00 C ATOM 1804 O ASP A 113 -14.049 9.868 5.304 1.00 0.00 O ATOM 1805 CB ASP A 113 -14.814 9.937 8.534 1.00 0.00 C ATOM 1806 CG ASP A 113 -15.373 9.353 9.816 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -16.613 9.254 9.933 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -14.571 8.993 10.703 1.00 0.00 O ATOM 0 H ASP A 113 -12.713 8.743 7.759 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.572 8.189 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.808 10.314 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.423 10.789 8.230 1.00 0.00 H new ATOM 1813 N PRO A 114 -16.254 9.935 5.756 1.00 0.00 N ATOM 1814 CA PRO A 114 -16.624 10.609 4.508 1.00 0.00 C ATOM 1815 C PRO A 114 -16.146 12.056 4.468 1.00 0.00 C ATOM 1816 O PRO A 114 -16.114 12.679 3.407 1.00 0.00 O ATOM 1817 CB PRO A 114 -18.154 10.551 4.514 1.00 0.00 C ATOM 1818 CG PRO A 114 -18.524 10.450 5.953 1.00 0.00 C ATOM 1819 CD PRO A 114 -17.423 9.663 6.610 1.00 0.00 C ATOM 0 HA PRO A 114 -16.169 10.135 3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.586 11.441 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -18.520 9.693 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.618 11.439 6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -19.486 9.952 6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -17.255 9.987 7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -17.656 8.599 6.646 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.776 12.585 5.630 1.00 0.00 N ATOM 1828 CA GLU A 115 -15.299 13.960 5.725 1.00 0.00 C ATOM 1829 C GLU A 115 -13.780 14.020 5.592 1.00 0.00 C ATOM 1830 O GLU A 115 -13.241 14.876 4.891 1.00 0.00 O ATOM 1831 CB GLU A 115 -15.731 14.582 7.055 1.00 0.00 C ATOM 1832 CG GLU A 115 -17.206 14.390 7.366 1.00 0.00 C ATOM 1833 CD GLU A 115 -17.625 15.076 8.652 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -16.876 14.982 9.646 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -18.702 15.708 8.663 1.00 0.00 O ATOM 0 H GLU A 115 -15.797 12.083 6.518 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.740 14.528 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.139 14.146 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.508 15.649 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.801 14.779 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -17.422 13.324 7.440 1.00 0.00 H new ATOM 1842 N PHE A 116 -13.096 13.105 6.272 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.640 13.055 6.232 1.00 0.00 C ATOM 1844 C PHE A 116 -11.143 12.789 4.813 1.00 0.00 C ATOM 1845 O PHE A 116 -10.111 13.313 4.398 1.00 0.00 O ATOM 1846 CB PHE A 116 -11.120 11.969 7.177 1.00 0.00 C ATOM 1847 CG PHE A 116 -9.646 12.068 7.451 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -9.082 13.268 7.852 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -8.826 10.961 7.306 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -7.726 13.362 8.105 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -7.470 11.049 7.557 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.919 12.251 7.957 1.00 0.00 C ATOM 0 H PHE A 116 -13.527 12.389 6.857 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.259 14.024 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.662 12.030 8.121 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -11.337 10.991 6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.709 14.140 7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.251 10.019 6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.298 14.303 8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.841 10.179 7.441 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.859 12.322 8.154 1.00 0.00 H new ATOM 1862 N ASN A 117 -11.887 11.971 4.076 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.523 11.635 2.704 1.00 0.00 C ATOM 1864 C ASN A 117 -11.509 12.881 1.824 1.00 0.00 C ATOM 1865 O ASN A 117 -10.528 13.155 1.131 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.500 10.605 2.133 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.052 10.068 0.787 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -10.962 9.510 0.660 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -12.894 10.235 -0.226 1.00 0.00 N ATOM 0 H ASN A 117 -12.745 11.529 4.405 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.520 11.208 2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.603 9.778 2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.485 11.060 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.648 9.895 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.787 10.704 -0.075 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.603 13.634 1.856 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.717 14.853 1.064 1.00 0.00 C ATOM 1878 C LYS A 118 -11.533 15.780 1.317 1.00 0.00 C ATOM 1879 O LYS A 118 -11.080 16.486 0.415 1.00 0.00 O ATOM 1880 CB LYS A 118 -14.025 15.578 1.392 1.00 0.00 C ATOM 1881 CG LYS A 118 -15.268 14.779 1.040 1.00 0.00 C ATOM 1882 CD LYS A 118 -16.441 15.152 1.931 1.00 0.00 C ATOM 1883 CE LYS A 118 -17.096 16.447 1.476 1.00 0.00 C ATOM 1884 NZ LYS A 118 -18.168 16.204 0.472 1.00 0.00 N ATOM 0 H LYS A 118 -13.424 13.421 2.422 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.717 14.573 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -14.043 15.813 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.049 16.527 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.532 14.955 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -15.058 13.714 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.177 14.348 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.098 15.258 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -17.517 16.964 2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -16.340 17.105 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -18.589 17.111 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -17.762 15.734 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -18.902 15.597 0.888 1.00 0.00 H new ATOM 1898 N LEU A 119 -11.034 15.772 2.548 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.900 16.611 2.920 1.00 0.00 C ATOM 1900 C LEU A 119 -8.589 16.001 2.434 1.00 0.00 C ATOM 1901 O LEU A 119 -7.599 16.707 2.239 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.856 16.801 4.437 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.856 17.802 5.017 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -10.790 17.804 6.536 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -10.594 19.197 4.468 1.00 0.00 C ATOM 0 H LEU A 119 -11.397 15.194 3.306 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.027 17.583 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.025 15.833 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.851 17.120 4.714 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.859 17.498 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.509 18.522 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.028 16.809 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.786 18.082 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.315 19.896 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.585 19.510 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.694 19.186 3.383 1.00 0.00 H new ATOM 1917 N CYS A 120 -8.590 14.687 2.240 1.00 0.00 N ATOM 1918 CA CYS A 120 -7.401 13.981 1.776 1.00 0.00 C ATOM 1919 C CYS A 120 -7.174 14.219 0.287 1.00 0.00 C ATOM 1920 O CYS A 120 -6.081 14.600 -0.131 1.00 0.00 O ATOM 1921 CB CYS A 120 -7.532 12.483 2.051 1.00 0.00 C ATOM 1922 SG CYS A 120 -7.553 12.054 3.808 1.00 0.00 S ATOM 0 H CYS A 120 -9.401 14.089 2.397 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.542 14.369 2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -8.449 12.118 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -6.703 11.962 1.571 1.00 0.00 H new ATOM 0 HG CYS A 120 -8.648 12.498 4.350 1.00 0.00 H new ATOM 1928 N GLU A 121 -8.214 13.991 -0.509 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.127 14.179 -1.952 1.00 0.00 C ATOM 1930 C GLU A 121 -7.916 15.650 -2.298 1.00 0.00 C ATOM 1931 O GLU A 121 -7.160 15.981 -3.211 1.00 0.00 O ATOM 1932 CB GLU A 121 -9.395 13.660 -2.634 1.00 0.00 C ATOM 1933 CG GLU A 121 -10.676 14.229 -2.050 1.00 0.00 C ATOM 1934 CD GLU A 121 -11.904 13.848 -2.853 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -11.910 14.088 -4.079 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -12.859 13.308 -2.256 1.00 0.00 O ATOM 0 H GLU A 121 -9.126 13.676 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 121 -7.270 13.612 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -9.351 13.902 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -9.421 12.573 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.792 13.875 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.599 15.315 -2.005 1.00 0.00 H new ATOM 1943 N GLU A 122 -8.590 16.528 -1.561 1.00 0.00 N ATOM 1944 CA GLU A 122 -8.477 17.963 -1.791 1.00 0.00 C ATOM 1945 C GLU A 122 -7.022 18.414 -1.714 1.00 0.00 C ATOM 1946 O GLU A 122 -6.683 19.527 -2.118 1.00 0.00 O ATOM 1947 CB GLU A 122 -9.316 18.733 -0.769 1.00 0.00 C ATOM 1948 CG GLU A 122 -10.739 19.003 -1.228 1.00 0.00 C ATOM 1949 CD GLU A 122 -11.526 19.833 -0.232 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -10.950 20.790 0.327 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -12.716 19.526 -0.012 1.00 0.00 O ATOM 0 H GLU A 122 -9.219 16.270 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.852 18.175 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.345 18.169 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.827 19.683 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.715 19.520 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -11.251 18.054 -1.389 1.00 0.00 H new ATOM 1958 N ILE A 123 -6.165 17.542 -1.192 1.00 0.00 N ATOM 1959 CA ILE A 123 -4.747 17.850 -1.062 1.00 0.00 C ATOM 1960 C ILE A 123 -3.956 17.310 -2.249 1.00 0.00 C ATOM 1961 O ILE A 123 -2.959 17.899 -2.665 1.00 0.00 O ATOM 1962 CB ILE A 123 -4.161 17.268 0.238 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -4.905 17.826 1.453 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -2.674 17.575 0.333 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -4.830 16.932 2.671 1.00 0.00 C ATOM 0 H ILE A 123 -6.429 16.617 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.662 18.936 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.288 16.186 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -4.493 18.803 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -5.951 17.980 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.275 17.157 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.156 17.133 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.524 18.655 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -5.379 17.391 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.269 15.962 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.788 16.798 2.961 1.00 0.00 H new ATOM 1977 N LYS A 124 -4.409 16.185 -2.792 1.00 0.00 N ATOM 1978 CA LYS A 124 -3.748 15.565 -3.933 1.00 0.00 C ATOM 1979 C LYS A 124 -3.633 16.547 -5.095 1.00 0.00 C ATOM 1980 O LYS A 124 -2.685 16.488 -5.877 1.00 0.00 O ATOM 1981 CB LYS A 124 -4.516 14.318 -4.380 1.00 0.00 C ATOM 1982 CG LYS A 124 -5.532 14.590 -5.475 1.00 0.00 C ATOM 1983 CD LYS A 124 -6.192 13.308 -5.954 1.00 0.00 C ATOM 1984 CE LYS A 124 -6.764 12.508 -4.794 1.00 0.00 C ATOM 1985 NZ LYS A 124 -7.443 11.266 -5.257 1.00 0.00 N ATOM 0 H LYS A 124 -5.233 15.684 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.744 15.274 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -3.805 13.571 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.028 13.889 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -6.294 15.276 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -5.041 15.083 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.988 13.549 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -5.463 12.701 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -5.963 12.247 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.473 13.125 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.446 11.296 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.369 11.195 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -6.989 10.439 -4.820 1.00 0.00 H new