USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 20 THR OG1 : rot -94:sc= 0.79 USER MOD Set 1.2: A 29 HIS :FLIP no HD1:sc= 0.669 F(o=-0.19,f=1.5) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -4.37 K(o=-4.4,f=-12!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.317 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0878 USER MOD Single : A 31 THR OG1 : rot -160:sc= 0.1 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 160:sc= -0.234 USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= 1.13 (180deg=0.213) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.444 (180deg=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.0069) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -3.23 X(o=-3.2,f=-3.4!) USER MOD Single : A 73 HIS : no HE2:sc= -2.71 K(o=-2.7,f=-3.5) USER MOD Single : A 76 SER OG : rot -93:sc= 0.633 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0309) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -85:sc= 0.447 USER MOD Single : A 96 TYR OH : rot 99:sc= 1.09 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0161 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 2.915 -8.507 -4.574 1.00 0.00 N ATOM 63 CA GLU A 5 3.152 -7.508 -5.608 1.00 0.00 C ATOM 64 C GLU A 5 1.846 -7.105 -6.281 1.00 0.00 C ATOM 65 O GLU A 5 1.783 -6.922 -7.497 1.00 0.00 O ATOM 66 CB GLU A 5 4.145 -8.036 -6.640 1.00 0.00 C ATOM 67 CG GLU A 5 5.453 -7.270 -6.640 1.00 0.00 C ATOM 68 CD GLU A 5 6.486 -7.872 -7.572 1.00 0.00 C ATOM 69 OE1 GLU A 5 6.459 -7.546 -8.778 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.323 -8.668 -7.097 1.00 0.00 O ATOM 0 HA GLU A 5 3.578 -6.623 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.345 -9.089 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.696 -7.980 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.264 -6.237 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.855 -7.246 -5.627 1.00 0.00 H new ATOM 77 N SER A 6 0.808 -6.969 -5.471 1.00 0.00 N ATOM 78 CA SER A 6 -0.511 -6.587 -5.962 1.00 0.00 C ATOM 79 C SER A 6 -1.441 -6.253 -4.800 1.00 0.00 C ATOM 80 O SER A 6 -1.127 -6.535 -3.643 1.00 0.00 O ATOM 81 CB SER A 6 -1.111 -7.713 -6.805 1.00 0.00 C ATOM 82 OG SER A 6 -1.928 -7.196 -7.841 1.00 0.00 O ATOM 0 H SER A 6 0.852 -7.118 -4.463 1.00 0.00 H new ATOM 0 HA SER A 6 -0.400 -5.700 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.311 -8.315 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.700 -8.373 -6.169 1.00 0.00 H new ATOM 0 HG SER A 6 -2.298 -7.936 -8.366 1.00 0.00 H new ATOM 88 N ILE A 7 -2.583 -5.649 -5.111 1.00 0.00 N ATOM 89 CA ILE A 7 -3.549 -5.278 -4.084 1.00 0.00 C ATOM 90 C ILE A 7 -4.960 -5.693 -4.482 1.00 0.00 C ATOM 91 O ILE A 7 -5.396 -5.451 -5.608 1.00 0.00 O ATOM 92 CB ILE A 7 -3.529 -3.761 -3.815 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.088 -3.245 -3.771 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.251 -3.445 -2.514 1.00 0.00 C ATOM 95 CD1 ILE A 7 -1.985 -1.744 -3.608 1.00 0.00 C ATOM 0 H ILE A 7 -2.861 -5.407 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.261 -5.804 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.049 -3.256 -4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.563 -3.728 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.578 -3.538 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.229 -2.370 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.286 -3.780 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.756 -3.958 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.935 -1.452 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.480 -1.252 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.465 -1.445 -2.676 1.00 0.00 H new ATOM 107 N ARG A 8 -5.671 -6.322 -3.552 1.00 0.00 N ATOM 108 CA ARG A 8 -7.033 -6.773 -3.807 1.00 0.00 C ATOM 109 C ARG A 8 -7.910 -6.586 -2.572 1.00 0.00 C ATOM 110 O ARG A 8 -8.008 -7.475 -1.727 1.00 0.00 O ATOM 111 CB ARG A 8 -7.034 -8.243 -4.234 1.00 0.00 C ATOM 112 CG ARG A 8 -7.854 -8.511 -5.485 1.00 0.00 C ATOM 113 CD ARG A 8 -9.339 -8.592 -5.171 1.00 0.00 C ATOM 114 NE ARG A 8 -10.025 -9.567 -6.016 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.969 -10.883 -5.825 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.261 -11.386 -4.821 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.624 -11.699 -6.639 1.00 0.00 N ATOM 0 H ARG A 8 -5.326 -6.531 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.445 -6.168 -4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.007 -8.563 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.424 -8.850 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.678 -7.719 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.526 -9.444 -5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.474 -8.862 -4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.793 -7.610 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.579 -9.219 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.756 -10.763 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.222 -12.395 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.171 -11.318 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.581 -12.708 -6.493 1.00 0.00 H new ATOM 131 N PHE A 9 -8.548 -5.424 -2.478 1.00 0.00 N ATOM 132 CA PHE A 9 -9.421 -5.119 -1.350 1.00 0.00 C ATOM 133 C PHE A 9 -10.864 -4.956 -1.818 1.00 0.00 C ATOM 134 O PHE A 9 -11.250 -3.899 -2.315 1.00 0.00 O ATOM 135 CB PHE A 9 -8.953 -3.846 -0.641 1.00 0.00 C ATOM 136 CG PHE A 9 -8.816 -2.662 -1.556 1.00 0.00 C ATOM 137 CD1 PHE A 9 -7.703 -2.524 -2.370 1.00 0.00 C ATOM 138 CD2 PHE A 9 -9.800 -1.687 -1.602 1.00 0.00 C ATOM 139 CE1 PHE A 9 -7.574 -1.436 -3.212 1.00 0.00 C ATOM 140 CE2 PHE A 9 -9.676 -0.597 -2.442 1.00 0.00 C ATOM 141 CZ PHE A 9 -8.562 -0.471 -3.248 1.00 0.00 C ATOM 0 H PHE A 9 -8.477 -4.678 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.374 -5.951 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.660 -3.601 0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.992 -4.039 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.928 -3.275 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.674 -1.780 -0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.702 -1.340 -3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.450 0.156 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.463 0.380 -3.905 1.00 0.00 H new ATOM 151 N GLY A 10 -11.655 -6.013 -1.661 1.00 0.00 N ATOM 152 CA GLY A 10 -13.043 -5.965 -2.080 1.00 0.00 C ATOM 153 C GLY A 10 -13.182 -5.833 -3.586 1.00 0.00 C ATOM 154 O GLY A 10 -12.422 -6.448 -4.333 1.00 0.00 O ATOM 0 H GLY A 10 -11.360 -6.900 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.553 -6.869 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.538 -5.123 -1.596 1.00 0.00 H new ATOM 158 N PRO A 11 -14.148 -5.031 -4.068 1.00 0.00 N ATOM 159 CA PRO A 11 -14.367 -4.833 -5.499 1.00 0.00 C ATOM 160 C PRO A 11 -13.476 -3.738 -6.081 1.00 0.00 C ATOM 161 O PRO A 11 -13.932 -2.910 -6.870 1.00 0.00 O ATOM 162 CB PRO A 11 -15.832 -4.412 -5.550 1.00 0.00 C ATOM 163 CG PRO A 11 -16.048 -3.661 -4.279 1.00 0.00 C ATOM 164 CD PRO A 11 -15.108 -4.257 -3.257 1.00 0.00 C ATOM 0 HA PRO A 11 -14.132 -5.722 -6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.036 -3.787 -6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.492 -5.277 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.846 -2.599 -4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.083 -3.748 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.607 -3.483 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.639 -4.894 -2.550 1.00 0.00 H new ATOM 172 N ASN A 12 -12.206 -3.738 -5.688 1.00 0.00 N ATOM 173 CA ASN A 12 -11.254 -2.744 -6.171 1.00 0.00 C ATOM 174 C ASN A 12 -9.827 -3.281 -6.101 1.00 0.00 C ATOM 175 O ASN A 12 -9.349 -3.660 -5.032 1.00 0.00 O ATOM 176 CB ASN A 12 -11.364 -1.461 -5.345 1.00 0.00 C ATOM 177 CG ASN A 12 -12.458 -0.540 -5.849 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.918 -0.665 -6.983 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.879 0.395 -5.004 1.00 0.00 N ATOM 0 H ASN A 12 -11.812 -4.416 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.493 -2.523 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.560 -1.718 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.410 -0.934 -5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.612 1.045 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.469 0.462 -4.072 1.00 0.00 H new ATOM 186 N VAL A 13 -9.151 -3.309 -7.245 1.00 0.00 N ATOM 187 CA VAL A 13 -7.779 -3.798 -7.308 1.00 0.00 C ATOM 188 C VAL A 13 -6.802 -2.652 -7.540 1.00 0.00 C ATOM 189 O VAL A 13 -7.059 -1.762 -8.350 1.00 0.00 O ATOM 190 CB VAL A 13 -7.604 -4.842 -8.426 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.228 -5.485 -8.346 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.699 -5.895 -8.348 1.00 0.00 C ATOM 0 H VAL A 13 -9.531 -2.999 -8.140 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.565 -4.268 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.687 -4.336 -9.388 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.123 -6.220 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.461 -4.718 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.112 -5.978 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.560 -6.625 -9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.651 -6.399 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.672 -5.417 -8.460 1.00 0.00 H new ATOM 202 N PHE A 14 -5.681 -2.677 -6.826 1.00 0.00 N ATOM 203 CA PHE A 14 -4.671 -1.633 -6.959 1.00 0.00 C ATOM 204 C PHE A 14 -3.308 -2.233 -7.283 1.00 0.00 C ATOM 205 O PHE A 14 -2.871 -3.191 -6.645 1.00 0.00 O ATOM 206 CB PHE A 14 -4.589 -0.805 -5.673 1.00 0.00 C ATOM 207 CG PHE A 14 -3.881 0.510 -5.844 1.00 0.00 C ATOM 208 CD1 PHE A 14 -2.553 0.556 -6.240 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.546 1.703 -5.608 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.904 1.765 -6.398 1.00 0.00 C ATOM 211 CE2 PHE A 14 -3.902 2.914 -5.765 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.579 2.946 -6.160 1.00 0.00 C ATOM 0 H PHE A 14 -5.450 -3.406 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.964 -0.981 -7.782 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.599 -0.619 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.075 -1.388 -4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.020 -0.364 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.580 1.685 -5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.869 1.787 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.433 3.836 -5.579 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.073 3.892 -6.282 1.00 0.00 H new ATOM 222 N TYR A 15 -2.639 -1.658 -8.276 1.00 0.00 N ATOM 223 CA TYR A 15 -1.323 -2.129 -8.687 1.00 0.00 C ATOM 224 C TYR A 15 -0.225 -1.391 -7.928 1.00 0.00 C ATOM 225 O TYR A 15 -0.262 -0.168 -7.798 1.00 0.00 O ATOM 226 CB TYR A 15 -1.138 -1.938 -10.191 1.00 0.00 C ATOM 227 CG TYR A 15 -2.050 -2.805 -11.029 1.00 0.00 C ATOM 228 CD1 TYR A 15 -3.345 -2.400 -11.325 1.00 0.00 C ATOM 229 CD2 TYR A 15 -1.616 -4.029 -11.523 1.00 0.00 C ATOM 230 CE1 TYR A 15 -4.182 -3.191 -12.090 1.00 0.00 C ATOM 231 CE2 TYR A 15 -2.447 -4.824 -12.289 1.00 0.00 C ATOM 232 CZ TYR A 15 -3.728 -4.401 -12.569 1.00 0.00 C ATOM 233 OH TYR A 15 -4.559 -5.191 -13.331 1.00 0.00 O ATOM 0 H TYR A 15 -2.988 -0.863 -8.812 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.252 -3.191 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.315 -0.892 -10.440 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.102 -2.157 -10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.704 -1.452 -10.952 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.613 -4.364 -11.305 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.187 -2.862 -12.311 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.094 -5.772 -12.666 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.086 -6.009 -13.590 1.00 0.00 H new ATOM 243 N VAL A 16 0.748 -2.143 -7.427 1.00 0.00 N ATOM 244 CA VAL A 16 1.855 -1.561 -6.676 1.00 0.00 C ATOM 245 C VAL A 16 2.894 -0.926 -7.599 1.00 0.00 C ATOM 246 O VAL A 16 3.761 -0.181 -7.144 1.00 0.00 O ATOM 247 CB VAL A 16 2.548 -2.618 -5.796 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.664 -2.992 -4.617 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.904 -3.848 -6.617 1.00 0.00 C ATOM 0 H VAL A 16 0.793 -3.157 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 16 1.425 -0.785 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 16 3.472 -2.191 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.169 -3.740 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.466 -2.105 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.722 -3.399 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.393 -4.583 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.996 -4.280 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.579 -3.564 -7.424 1.00 0.00 H new ATOM 259 N LEU A 17 2.809 -1.226 -8.892 1.00 0.00 N ATOM 260 CA LEU A 17 3.753 -0.679 -9.862 1.00 0.00 C ATOM 261 C LEU A 17 3.046 0.149 -10.936 1.00 0.00 C ATOM 262 O LEU A 17 3.690 0.669 -11.847 1.00 0.00 O ATOM 263 CB LEU A 17 4.548 -1.812 -10.517 1.00 0.00 C ATOM 264 CG LEU A 17 5.906 -2.107 -9.877 1.00 0.00 C ATOM 265 CD1 LEU A 17 6.745 -0.841 -9.798 1.00 0.00 C ATOM 266 CD2 LEU A 17 5.722 -2.715 -8.495 1.00 0.00 C ATOM 0 H LEU A 17 2.100 -1.841 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 17 4.433 -0.018 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.946 -2.720 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.705 -1.565 -11.567 1.00 0.00 H new ATOM 0 HG LEU A 17 6.433 -2.828 -10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.707 -1.070 -9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.905 -0.448 -10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.225 -0.097 -9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.698 -2.919 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.176 -2.017 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.160 -3.645 -8.579 1.00 0.00 H new ATOM 278 N LYS A 18 1.724 0.268 -10.833 1.00 0.00 N ATOM 279 CA LYS A 18 0.952 1.032 -11.808 1.00 0.00 C ATOM 280 C LYS A 18 0.418 2.326 -11.201 1.00 0.00 C ATOM 281 O LYS A 18 0.353 3.355 -11.873 1.00 0.00 O ATOM 282 CB LYS A 18 -0.204 0.186 -12.341 1.00 0.00 C ATOM 283 CG LYS A 18 -0.407 0.307 -13.841 1.00 0.00 C ATOM 284 CD LYS A 18 -1.134 -0.906 -14.395 1.00 0.00 C ATOM 285 CE LYS A 18 -1.566 -0.692 -15.837 1.00 0.00 C ATOM 286 NZ LYS A 18 -0.755 -1.503 -16.787 1.00 0.00 N ATOM 0 H LYS A 18 1.168 -0.153 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 18 1.615 1.295 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.023 -0.859 -12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.123 0.481 -11.834 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.978 1.209 -14.062 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.559 0.412 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.484 -1.779 -14.336 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.009 -1.118 -13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.619 -0.954 -15.943 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.473 0.364 -16.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.081 -1.328 -17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.247 -1.235 -16.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.863 -2.513 -16.562 1.00 0.00 H new ATOM 300 N LEU A 19 0.033 2.270 -9.928 1.00 0.00 N ATOM 301 CA LEU A 19 -0.498 3.440 -9.235 1.00 0.00 C ATOM 302 C LEU A 19 -1.883 3.798 -9.762 1.00 0.00 C ATOM 303 O LEU A 19 -2.247 4.972 -9.836 1.00 0.00 O ATOM 304 CB LEU A 19 0.446 4.634 -9.394 1.00 0.00 C ATOM 305 CG LEU A 19 1.928 4.319 -9.183 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.798 5.394 -9.816 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.235 4.185 -7.700 1.00 0.00 C ATOM 0 H LEU A 19 0.079 1.427 -9.356 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.581 3.195 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.317 5.049 -10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.150 5.409 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 19 2.152 3.369 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.849 5.153 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.596 5.442 -10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.574 6.359 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.293 3.961 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.995 5.120 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.637 3.378 -7.276 1.00 0.00 H new ATOM 319 N THR A 20 -2.651 2.777 -10.128 1.00 0.00 N ATOM 320 CA THR A 20 -3.997 2.982 -10.650 1.00 0.00 C ATOM 321 C THR A 20 -4.918 1.838 -10.238 1.00 0.00 C ATOM 322 O THR A 20 -4.646 0.673 -10.527 1.00 0.00 O ATOM 323 CB THR A 20 -3.961 3.100 -12.174 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.981 4.039 -12.580 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.283 3.527 -12.774 1.00 0.00 C ATOM 0 H THR A 20 -2.364 1.800 -10.073 1.00 0.00 H new ATOM 0 HA THR A 20 -4.388 3.909 -10.230 1.00 0.00 H new ATOM 0 HB THR A 20 -3.724 2.099 -12.536 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.399 4.918 -12.698 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.187 3.591 -13.858 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.051 2.796 -12.520 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.565 4.502 -12.377 1.00 0.00 H new ATOM 333 N VAL A 21 -6.009 2.179 -9.560 1.00 0.00 N ATOM 334 CA VAL A 21 -6.969 1.178 -9.108 1.00 0.00 C ATOM 335 C VAL A 21 -8.208 1.162 -9.997 1.00 0.00 C ATOM 336 O VAL A 21 -8.808 2.204 -10.264 1.00 0.00 O ATOM 337 CB VAL A 21 -7.393 1.421 -7.644 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.019 2.798 -7.485 1.00 0.00 C ATOM 339 CG2 VAL A 21 -8.347 0.333 -7.168 1.00 0.00 C ATOM 0 H VAL A 21 -6.250 3.138 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.471 0.211 -9.173 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.499 1.382 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.310 2.947 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.296 3.562 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.900 2.873 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.632 0.526 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.238 0.331 -7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.854 -0.637 -7.234 1.00 0.00 H new ATOM 349 N GLU A 22 -8.583 -0.029 -10.452 1.00 0.00 N ATOM 350 CA GLU A 22 -9.750 -0.188 -11.311 1.00 0.00 C ATOM 351 C GLU A 22 -11.014 -0.365 -10.476 1.00 0.00 C ATOM 352 O GLU A 22 -11.090 -1.254 -9.628 1.00 0.00 O ATOM 353 CB GLU A 22 -9.563 -1.389 -12.243 1.00 0.00 C ATOM 354 CG GLU A 22 -9.402 -1.004 -13.704 1.00 0.00 C ATOM 355 CD GLU A 22 -8.341 -1.827 -14.410 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.012 -2.924 -13.911 1.00 0.00 O ATOM 357 OE2 GLU A 22 -7.840 -1.374 -15.460 1.00 0.00 O ATOM 0 H GLU A 22 -8.095 -0.899 -10.240 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.857 0.714 -11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.685 -1.952 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.421 -2.053 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.356 -1.131 -14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.142 0.052 -13.771 1.00 0.00 H new ATOM 364 N THR A 23 -12.003 0.487 -10.721 1.00 0.00 N ATOM 365 CA THR A 23 -13.263 0.423 -9.990 1.00 0.00 C ATOM 366 C THR A 23 -14.378 -0.131 -10.873 1.00 0.00 C ATOM 367 O THR A 23 -14.239 -0.197 -12.094 1.00 0.00 O ATOM 368 CB THR A 23 -13.647 1.810 -9.473 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.207 2.817 -10.367 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.070 2.122 -8.109 1.00 0.00 C ATOM 0 H THR A 23 -11.957 1.229 -11.419 1.00 0.00 H new ATOM 0 HA THR A 23 -13.129 -0.249 -9.142 1.00 0.00 H new ATOM 0 HB THR A 23 -14.734 1.798 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.597 3.678 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.381 3.121 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.431 1.391 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.982 2.079 -8.156 1.00 0.00 H new ATOM 378 N PRO A 24 -15.505 -0.537 -10.263 1.00 0.00 N ATOM 379 CA PRO A 24 -16.648 -1.087 -10.996 1.00 0.00 C ATOM 380 C PRO A 24 -17.062 -0.209 -12.173 1.00 0.00 C ATOM 381 O PRO A 24 -17.392 -0.710 -13.248 1.00 0.00 O ATOM 382 CB PRO A 24 -17.753 -1.122 -9.942 1.00 0.00 C ATOM 383 CG PRO A 24 -17.036 -1.257 -8.648 1.00 0.00 C ATOM 384 CD PRO A 24 -15.755 -0.493 -8.809 1.00 0.00 C ATOM 0 HA PRO A 24 -16.423 -2.059 -11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.354 -0.213 -9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.432 -1.959 -10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.631 -0.855 -7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.840 -2.304 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.851 0.532 -8.450 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.941 -0.952 -8.248 1.00 0.00 H new ATOM 392 N GLU A 25 -17.042 1.103 -11.962 1.00 0.00 N ATOM 393 CA GLU A 25 -17.416 2.051 -13.005 1.00 0.00 C ATOM 394 C GLU A 25 -16.335 2.133 -14.078 1.00 0.00 C ATOM 395 O GLU A 25 -16.626 2.083 -15.273 1.00 0.00 O ATOM 396 CB GLU A 25 -17.659 3.435 -12.401 1.00 0.00 C ATOM 397 CG GLU A 25 -18.349 4.400 -13.350 1.00 0.00 C ATOM 398 CD GLU A 25 -18.328 5.829 -12.844 1.00 0.00 C ATOM 399 OE1 GLU A 25 -17.243 6.301 -12.443 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.396 6.476 -12.848 1.00 0.00 O ATOM 0 H GLU A 25 -16.771 1.534 -11.078 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.337 1.699 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.265 3.328 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.704 3.861 -12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.862 4.356 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.382 4.085 -13.495 1.00 0.00 H new ATOM 407 N GLY A 26 -15.086 2.258 -13.642 1.00 0.00 N ATOM 408 CA GLY A 26 -13.978 2.344 -14.576 1.00 0.00 C ATOM 409 C GLY A 26 -12.631 2.215 -13.892 1.00 0.00 C ATOM 410 O GLY A 26 -12.224 1.118 -13.511 1.00 0.00 O ATOM 0 H GLY A 26 -14.821 2.301 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.078 1.559 -15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.024 3.297 -15.103 1.00 0.00 H new ATOM 414 N SER A 27 -11.939 3.339 -13.736 1.00 0.00 N ATOM 415 CA SER A 27 -10.630 3.348 -13.094 1.00 0.00 C ATOM 416 C SER A 27 -10.475 4.567 -12.190 1.00 0.00 C ATOM 417 O SER A 27 -11.303 5.477 -12.211 1.00 0.00 O ATOM 418 CB SER A 27 -9.521 3.334 -14.148 1.00 0.00 C ATOM 419 OG SER A 27 -8.485 2.436 -13.789 1.00 0.00 O ATOM 0 H SER A 27 -12.263 4.255 -14.045 1.00 0.00 H new ATOM 0 HA SER A 27 -10.548 2.451 -12.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.937 3.046 -15.114 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.112 4.338 -14.263 1.00 0.00 H new ATOM 0 HG SER A 27 -7.790 2.445 -14.480 1.00 0.00 H new ATOM 425 N VAL A 28 -9.410 4.576 -11.395 1.00 0.00 N ATOM 426 CA VAL A 28 -9.148 5.682 -10.481 1.00 0.00 C ATOM 427 C VAL A 28 -7.648 5.919 -10.319 1.00 0.00 C ATOM 428 O VAL A 28 -6.916 5.040 -9.864 1.00 0.00 O ATOM 429 CB VAL A 28 -9.777 5.421 -9.097 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.445 6.546 -8.127 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.282 5.245 -9.221 1.00 0.00 C ATOM 0 H VAL A 28 -8.715 3.830 -11.365 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.603 6.572 -10.915 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.353 4.499 -8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.900 6.338 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.364 6.619 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.833 7.488 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.709 5.062 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.720 6.149 -9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.497 4.398 -9.873 1.00 0.00 H new ATOM 441 N HIS A 29 -7.201 7.114 -10.691 1.00 0.00 N ATOM 442 CA HIS A 29 -5.790 7.472 -10.583 1.00 0.00 C ATOM 443 C HIS A 29 -5.519 8.209 -9.276 1.00 0.00 C ATOM 444 O HIS A 29 -6.447 8.587 -8.562 1.00 0.00 O ATOM 445 CB HIS A 29 -5.369 8.339 -11.770 1.00 0.00 C ATOM 446 CG HIS A 29 -5.123 7.559 -13.025 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.110 6.728 -13.368 1.00 0.00 N flip ATOM 448 CD2 HIS A 29 -5.977 7.587 -14.107 1.00 0.00 C flip ATOM 449 CE1 HIS A 29 -4.369 6.274 -14.638 1.00 0.00 C flip ATOM 450 NE2 HIS A 29 -5.501 6.806 -15.061 1.00 0.00 N flip ATOM 0 H HIS A 29 -7.795 7.851 -11.070 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.204 6.553 -10.591 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.144 9.082 -11.960 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.462 8.884 -11.507 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.892 8.158 -14.166 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.748 5.592 -15.200 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.934 6.642 -15.970 1.00 0.00 H new ATOM 459 N LEU A 30 -4.241 8.409 -8.965 1.00 0.00 N ATOM 460 CA LEU A 30 -3.854 9.099 -7.740 1.00 0.00 C ATOM 461 C LEU A 30 -2.376 9.477 -7.767 1.00 0.00 C ATOM 462 O LEU A 30 -1.628 9.036 -8.639 1.00 0.00 O ATOM 463 CB LEU A 30 -4.144 8.215 -6.523 1.00 0.00 C ATOM 464 CG LEU A 30 -3.111 7.116 -6.255 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.584 6.190 -5.146 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.827 6.324 -7.521 1.00 0.00 C ATOM 0 H LEU A 30 -3.458 8.104 -9.543 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.441 10.015 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.212 8.851 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.120 7.749 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.186 7.594 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.835 5.417 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.732 6.764 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.525 5.724 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.091 5.549 -7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.748 5.862 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.438 6.993 -8.289 1.00 0.00 H new ATOM 478 N THR A 31 -1.959 10.286 -6.798 1.00 0.00 N ATOM 479 CA THR A 31 -0.568 10.710 -6.705 1.00 0.00 C ATOM 480 C THR A 31 0.315 9.538 -6.281 1.00 0.00 C ATOM 481 O THR A 31 -0.033 8.793 -5.365 1.00 0.00 O ATOM 482 CB THR A 31 -0.426 11.861 -5.709 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.443 11.801 -4.725 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.496 13.226 -6.359 1.00 0.00 C ATOM 0 H THR A 31 -2.564 10.660 -6.067 1.00 0.00 H new ATOM 0 HA THR A 31 -0.246 11.057 -7.687 1.00 0.00 H new ATOM 0 HB THR A 31 0.561 11.738 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.541 12.679 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.389 13.998 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.307 13.323 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.457 13.342 -6.860 1.00 0.00 H new ATOM 492 N PRO A 32 1.467 9.347 -6.946 1.00 0.00 N ATOM 493 CA PRO A 32 2.382 8.248 -6.630 1.00 0.00 C ATOM 494 C PRO A 32 3.152 8.467 -5.334 1.00 0.00 C ATOM 495 O PRO A 32 3.724 7.530 -4.777 1.00 0.00 O ATOM 496 CB PRO A 32 3.337 8.231 -7.823 1.00 0.00 C ATOM 497 CG PRO A 32 3.345 9.636 -8.316 1.00 0.00 C ATOM 498 CD PRO A 32 1.963 10.176 -8.062 1.00 0.00 C ATOM 0 HA PRO A 32 1.846 7.312 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.335 7.909 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.995 7.542 -8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.097 10.228 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.590 9.675 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.988 11.233 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.328 10.084 -8.943 1.00 0.00 H new ATOM 506 N SER A 33 3.164 9.703 -4.853 1.00 0.00 N ATOM 507 CA SER A 33 3.868 10.025 -3.619 1.00 0.00 C ATOM 508 C SER A 33 3.025 9.659 -2.412 1.00 0.00 C ATOM 509 O SER A 33 3.543 9.217 -1.386 1.00 0.00 O ATOM 510 CB SER A 33 4.240 11.508 -3.580 1.00 0.00 C ATOM 511 OG SER A 33 5.056 11.859 -4.684 1.00 0.00 O ATOM 0 H SER A 33 2.697 10.495 -5.295 1.00 0.00 H new ATOM 0 HA SER A 33 4.787 9.439 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.334 12.114 -3.587 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.765 11.730 -2.651 1.00 0.00 H new ATOM 0 HG SER A 33 5.278 12.812 -4.636 1.00 0.00 H new ATOM 517 N GLU A 34 1.721 9.822 -2.550 1.00 0.00 N ATOM 518 CA GLU A 34 0.800 9.482 -1.478 1.00 0.00 C ATOM 519 C GLU A 34 0.444 8.017 -1.569 1.00 0.00 C ATOM 520 O GLU A 34 0.339 7.323 -0.558 1.00 0.00 O ATOM 521 CB GLU A 34 -0.458 10.350 -1.543 1.00 0.00 C ATOM 522 CG GLU A 34 -0.183 11.833 -1.367 1.00 0.00 C ATOM 523 CD GLU A 34 -1.413 12.687 -1.605 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.529 12.218 -1.299 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.260 13.824 -2.099 1.00 0.00 O ATOM 0 H GLU A 34 1.276 10.187 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 34 1.284 9.674 -0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.949 10.192 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.155 10.024 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.190 12.012 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.605 12.137 -2.056 1.00 0.00 H new ATOM 532 N SER A 35 0.308 7.541 -2.793 1.00 0.00 N ATOM 533 CA SER A 35 0.017 6.142 -3.022 1.00 0.00 C ATOM 534 C SER A 35 1.287 5.330 -2.796 1.00 0.00 C ATOM 535 O SER A 35 1.240 4.112 -2.630 1.00 0.00 O ATOM 536 CB SER A 35 -0.530 5.926 -4.434 1.00 0.00 C ATOM 537 OG SER A 35 0.494 5.536 -5.333 1.00 0.00 O ATOM 0 H SER A 35 0.394 8.102 -3.640 1.00 0.00 H new ATOM 0 HA SER A 35 -0.750 5.810 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.307 5.162 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.997 6.845 -4.789 1.00 0.00 H new ATOM 0 HG SER A 35 0.094 5.103 -6.116 1.00 0.00 H new ATOM 543 N GLY A 36 2.427 6.027 -2.766 1.00 0.00 N ATOM 544 CA GLY A 36 3.688 5.365 -2.530 1.00 0.00 C ATOM 545 C GLY A 36 3.788 4.865 -1.110 1.00 0.00 C ATOM 546 O GLY A 36 4.435 3.852 -0.842 1.00 0.00 O ATOM 0 H GLY A 36 2.491 7.036 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.797 4.529 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.507 6.055 -2.733 1.00 0.00 H new ATOM 550 N ILE A 37 3.132 5.573 -0.196 1.00 0.00 N ATOM 551 CA ILE A 37 3.142 5.183 1.209 1.00 0.00 C ATOM 552 C ILE A 37 2.393 3.875 1.404 1.00 0.00 C ATOM 553 O ILE A 37 2.848 2.984 2.121 1.00 0.00 O ATOM 554 CB ILE A 37 2.525 6.273 2.113 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.341 7.565 2.020 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.447 5.795 3.557 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.686 8.634 1.177 1.00 0.00 C ATOM 0 H ILE A 37 2.591 6.413 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 37 4.185 5.053 1.499 1.00 0.00 H new ATOM 0 HB ILE A 37 1.512 6.475 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.504 7.955 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.322 7.336 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.009 6.578 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.827 4.900 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.449 5.564 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.320 9.520 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.548 8.263 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.717 8.891 1.604 1.00 0.00 H new ATOM 569 N LEU A 38 1.254 3.761 0.744 1.00 0.00 N ATOM 570 CA LEU A 38 0.449 2.549 0.825 1.00 0.00 C ATOM 571 C LEU A 38 1.110 1.429 0.027 1.00 0.00 C ATOM 572 O LEU A 38 0.816 0.251 0.227 1.00 0.00 O ATOM 573 CB LEU A 38 -0.977 2.806 0.321 1.00 0.00 C ATOM 574 CG LEU A 38 -1.190 2.636 -1.188 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.616 1.211 -1.510 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.225 3.630 -1.696 1.00 0.00 C ATOM 0 H LEU A 38 0.864 4.490 0.146 1.00 0.00 H new ATOM 0 HA LEU A 38 0.384 2.244 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.654 2.130 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.263 3.821 0.598 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.245 2.835 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.763 1.109 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.842 0.517 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.549 0.985 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.363 3.495 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.173 3.462 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.881 4.646 -1.500 1.00 0.00 H new ATOM 588 N LYS A 39 2.012 1.810 -0.875 1.00 0.00 N ATOM 589 CA LYS A 39 2.724 0.847 -1.700 1.00 0.00 C ATOM 590 C LYS A 39 3.833 0.178 -0.904 1.00 0.00 C ATOM 591 O LYS A 39 4.160 -0.987 -1.134 1.00 0.00 O ATOM 592 CB LYS A 39 3.303 1.532 -2.939 1.00 0.00 C ATOM 593 CG LYS A 39 4.079 0.595 -3.849 1.00 0.00 C ATOM 594 CD LYS A 39 4.924 1.365 -4.851 1.00 0.00 C ATOM 595 CE LYS A 39 6.231 0.648 -5.152 1.00 0.00 C ATOM 596 NZ LYS A 39 6.301 0.189 -6.566 1.00 0.00 N ATOM 0 H LYS A 39 2.265 2.782 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 39 2.017 0.082 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.490 1.984 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.959 2.342 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.722 -0.048 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.385 -0.055 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.361 1.499 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.136 2.360 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.067 1.316 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.336 -0.209 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.869 -0.680 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.341 -0.002 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.742 0.928 -7.150 1.00 0.00 H new ATOM 610 N ARG A 40 4.404 0.917 0.038 1.00 0.00 N ATOM 611 CA ARG A 40 5.474 0.384 0.872 1.00 0.00 C ATOM 612 C ARG A 40 4.903 -0.474 1.990 1.00 0.00 C ATOM 613 O ARG A 40 5.537 -1.426 2.444 1.00 0.00 O ATOM 614 CB ARG A 40 6.325 1.516 1.451 1.00 0.00 C ATOM 615 CG ARG A 40 7.253 2.161 0.433 1.00 0.00 C ATOM 616 CD ARG A 40 8.695 1.712 0.621 1.00 0.00 C ATOM 617 NE ARG A 40 8.794 0.285 0.917 1.00 0.00 N ATOM 618 CZ ARG A 40 9.860 -0.285 1.475 1.00 0.00 C ATOM 619 NH1 ARG A 40 10.921 0.445 1.795 1.00 0.00 N ATOM 620 NH2 ARG A 40 9.865 -1.589 1.713 1.00 0.00 N ATOM 0 H ARG A 40 4.146 1.882 0.243 1.00 0.00 H new ATOM 0 HA ARG A 40 6.113 -0.241 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.666 2.279 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.920 1.126 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.921 1.907 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.195 3.246 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.264 1.934 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.149 2.282 1.432 1.00 0.00 H new ATOM 0 HE ARG A 40 7.999 -0.310 0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.923 1.449 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.735 0.002 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.052 -2.155 1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.681 -2.026 2.140 1.00 0.00 H new ATOM 634 N LEU A 41 3.693 -0.142 2.414 1.00 0.00 N ATOM 635 CA LEU A 41 3.023 -0.897 3.463 1.00 0.00 C ATOM 636 C LEU A 41 2.419 -2.167 2.885 1.00 0.00 C ATOM 637 O LEU A 41 2.251 -3.164 3.586 1.00 0.00 O ATOM 638 CB LEU A 41 1.940 -0.047 4.131 1.00 0.00 C ATOM 639 CG LEU A 41 2.408 0.761 5.342 1.00 0.00 C ATOM 640 CD1 LEU A 41 3.586 1.648 4.968 1.00 0.00 C ATOM 641 CD2 LEU A 41 1.264 1.595 5.899 1.00 0.00 C ATOM 0 H LEU A 41 3.155 0.644 2.049 1.00 0.00 H new ATOM 0 HA LEU A 41 3.758 -1.169 4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.531 0.640 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.126 -0.702 4.442 1.00 0.00 H new ATOM 0 HG LEU A 41 2.735 0.066 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.906 2.216 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.411 1.028 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.287 2.336 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.614 2.164 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.907 2.282 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.450 0.938 6.205 1.00 0.00 H new ATOM 653 N LEU A 42 2.115 -2.127 1.593 1.00 0.00 N ATOM 654 CA LEU A 42 1.553 -3.280 0.911 1.00 0.00 C ATOM 655 C LEU A 42 2.605 -4.371 0.784 1.00 0.00 C ATOM 656 O LEU A 42 2.283 -5.558 0.740 1.00 0.00 O ATOM 657 CB LEU A 42 1.021 -2.884 -0.469 1.00 0.00 C ATOM 658 CG LEU A 42 -0.503 -2.903 -0.602 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.022 -4.332 -0.592 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.147 -2.093 0.515 1.00 0.00 C ATOM 0 H LEU A 42 2.249 -1.308 1.000 1.00 0.00 H new ATOM 0 HA LEU A 42 0.719 -3.662 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.379 -1.882 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.444 -3.559 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.770 -2.447 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.108 -4.325 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.588 -4.883 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.743 -4.814 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.231 -2.118 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.871 -2.520 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.801 -1.061 0.462 1.00 0.00 H new ATOM 672 N ILE A 43 3.869 -3.960 0.745 1.00 0.00 N ATOM 673 CA ILE A 43 4.967 -4.911 0.648 1.00 0.00 C ATOM 674 C ILE A 43 4.966 -5.832 1.862 1.00 0.00 C ATOM 675 O ILE A 43 5.371 -6.991 1.777 1.00 0.00 O ATOM 676 CB ILE A 43 6.335 -4.206 0.545 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.273 -3.045 -0.451 1.00 0.00 C ATOM 678 CG2 ILE A 43 7.407 -5.204 0.134 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.735 -3.439 -1.810 1.00 0.00 C ATOM 0 H ILE A 43 4.155 -2.982 0.779 1.00 0.00 H new ATOM 0 HA ILE A 43 4.816 -5.490 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 43 6.590 -3.799 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.646 -2.255 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.273 -2.628 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.369 -4.696 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.469 -5.998 0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.152 -5.633 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.720 -2.566 -2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.374 -4.207 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.723 -3.828 -1.702 1.00 0.00 H new ATOM 691 N ASN A 44 4.492 -5.308 2.991 1.00 0.00 N ATOM 692 CA ASN A 44 4.419 -6.084 4.222 1.00 0.00 C ATOM 693 C ASN A 44 3.033 -6.694 4.379 1.00 0.00 C ATOM 694 O ASN A 44 2.888 -7.879 4.681 1.00 0.00 O ATOM 695 CB ASN A 44 4.747 -5.205 5.430 1.00 0.00 C ATOM 696 CG ASN A 44 6.223 -5.229 5.779 1.00 0.00 C ATOM 697 OD1 ASN A 44 6.605 -5.618 6.882 1.00 0.00 O ATOM 698 ND2 ASN A 44 7.061 -4.812 4.837 1.00 0.00 N ATOM 0 H ASN A 44 4.154 -4.350 3.076 1.00 0.00 H new ATOM 0 HA ASN A 44 5.153 -6.888 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.442 -4.179 5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.168 -5.542 6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.065 -4.806 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.700 -4.498 3.936 1.00 0.00 H new ATOM 705 N LYS A 45 2.022 -5.869 4.160 1.00 0.00 N ATOM 706 CA LYS A 45 0.632 -6.301 4.260 1.00 0.00 C ATOM 707 C LYS A 45 0.344 -6.913 5.627 1.00 0.00 C ATOM 708 O LYS A 45 0.517 -8.115 5.832 1.00 0.00 O ATOM 709 CB LYS A 45 0.311 -7.309 3.155 1.00 0.00 C ATOM 710 CG LYS A 45 -1.175 -7.433 2.856 1.00 0.00 C ATOM 711 CD LYS A 45 -1.516 -6.889 1.477 1.00 0.00 C ATOM 712 CE LYS A 45 -2.664 -7.657 0.842 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.433 -9.128 0.874 1.00 0.00 N ATOM 0 H LYS A 45 2.137 -4.887 3.909 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.004 -5.424 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.833 -7.015 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.698 -8.287 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.473 -8.480 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.745 -6.893 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.782 -5.835 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.638 -6.948 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.591 -7.424 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.791 -7.332 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.913 -9.573 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.412 -9.320 0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.812 -9.520 1.760 1.00 0.00 H new ATOM 727 N GLY A 46 -0.098 -6.075 6.558 1.00 0.00 N ATOM 728 CA GLY A 46 -0.407 -6.546 7.896 1.00 0.00 C ATOM 729 C GLY A 46 0.834 -6.913 8.685 1.00 0.00 C ATOM 730 O GLY A 46 1.207 -8.084 8.758 1.00 0.00 O ATOM 0 H GLY A 46 -0.248 -5.077 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.958 -5.773 8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.061 -7.415 7.829 1.00 0.00 H new ATOM 734 N GLN A 47 1.476 -5.911 9.277 1.00 0.00 N ATOM 735 CA GLN A 47 2.683 -6.134 10.064 1.00 0.00 C ATOM 736 C GLN A 47 2.894 -5.005 11.068 1.00 0.00 C ATOM 737 O GLN A 47 2.230 -3.970 11.001 1.00 0.00 O ATOM 738 CB GLN A 47 3.901 -6.252 9.146 1.00 0.00 C ATOM 739 CG GLN A 47 4.279 -7.687 8.819 1.00 0.00 C ATOM 740 CD GLN A 47 5.424 -8.197 9.672 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.504 -8.498 9.166 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.192 -8.295 10.976 1.00 0.00 N ATOM 0 H GLN A 47 1.180 -4.936 9.226 1.00 0.00 H new ATOM 0 HA GLN A 47 2.561 -7.067 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.699 -5.718 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.751 -5.760 9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.410 -8.329 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.556 -7.755 7.767 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.281 -8.034 11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.925 -8.631 11.601 1.00 0.00 H new ATOM 751 N LEU A 48 3.822 -5.209 11.996 1.00 0.00 N ATOM 752 CA LEU A 48 4.120 -4.206 13.012 1.00 0.00 C ATOM 753 C LEU A 48 5.268 -3.306 12.567 1.00 0.00 C ATOM 754 O LEU A 48 6.430 -3.711 12.583 1.00 0.00 O ATOM 755 CB LEU A 48 4.470 -4.880 14.340 1.00 0.00 C ATOM 756 CG LEU A 48 3.991 -4.139 15.591 1.00 0.00 C ATOM 757 CD1 LEU A 48 4.442 -2.686 15.559 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.476 -4.228 15.717 1.00 0.00 C ATOM 0 H LEU A 48 4.381 -6.059 12.066 1.00 0.00 H new ATOM 0 HA LEU A 48 3.231 -3.590 13.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.042 -5.883 14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.552 -4.995 14.397 1.00 0.00 H new ATOM 0 HG LEU A 48 4.437 -4.616 16.464 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.092 -2.176 16.457 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.530 -2.644 15.519 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.027 -2.196 14.678 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.153 -3.696 16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.011 -3.778 14.840 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.178 -5.274 15.790 1.00 0.00 H new ATOM 770 N CYS A 49 4.933 -2.083 12.170 1.00 0.00 N ATOM 771 CA CYS A 49 5.934 -1.123 11.721 1.00 0.00 C ATOM 772 C CYS A 49 5.939 0.111 12.616 1.00 0.00 C ATOM 773 O CYS A 49 5.052 0.287 13.451 1.00 0.00 O ATOM 774 CB CYS A 49 5.665 -0.716 10.271 1.00 0.00 C ATOM 775 SG CYS A 49 6.543 -1.717 9.047 1.00 0.00 S ATOM 0 H CYS A 49 3.975 -1.733 12.150 1.00 0.00 H new ATOM 0 HA CYS A 49 6.913 -1.598 11.781 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.594 -0.783 10.079 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.947 0.329 10.140 1.00 0.00 H new ATOM 0 HG CYS A 49 6.249 -1.298 7.852 1.00 0.00 H new ATOM 781 N LEU A 50 6.941 0.966 12.437 1.00 0.00 N ATOM 782 CA LEU A 50 7.055 2.186 13.229 1.00 0.00 C ATOM 783 C LEU A 50 6.732 3.412 12.383 1.00 0.00 C ATOM 784 O LEU A 50 6.577 3.316 11.166 1.00 0.00 O ATOM 785 CB LEU A 50 8.462 2.315 13.817 1.00 0.00 C ATOM 786 CG LEU A 50 8.893 1.168 14.733 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.851 0.927 15.815 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.127 -0.098 13.924 1.00 0.00 C ATOM 0 H LEU A 50 7.685 0.837 11.751 1.00 0.00 H new ATOM 0 HA LEU A 50 6.335 2.126 14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.176 2.391 12.997 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.520 3.248 14.378 1.00 0.00 H new ATOM 0 HG LEU A 50 9.830 1.446 15.217 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.175 0.108 16.456 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.732 1.831 16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.898 0.670 15.352 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.433 -0.904 14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.206 -0.379 13.413 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.910 0.081 13.187 1.00 0.00 H new ATOM 800 N ARG A 51 6.631 4.565 13.036 1.00 0.00 N ATOM 801 CA ARG A 51 6.326 5.810 12.343 1.00 0.00 C ATOM 802 C ARG A 51 7.584 6.441 11.773 1.00 0.00 C ATOM 803 O ARG A 51 7.779 6.473 10.560 1.00 0.00 O ATOM 804 CB ARG A 51 5.625 6.790 13.288 1.00 0.00 C ATOM 805 CG ARG A 51 4.726 7.787 12.573 1.00 0.00 C ATOM 806 CD ARG A 51 4.600 9.086 13.353 1.00 0.00 C ATOM 807 NE ARG A 51 3.451 9.076 14.257 1.00 0.00 N ATOM 808 CZ ARG A 51 3.482 8.593 15.498 1.00 0.00 C ATOM 809 NH1 ARG A 51 4.600 8.073 15.990 1.00 0.00 N ATOM 810 NH2 ARG A 51 2.391 8.629 16.250 1.00 0.00 N ATOM 0 H ARG A 51 6.756 4.662 14.044 1.00 0.00 H new ATOM 0 HA ARG A 51 5.656 5.578 11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.029 6.226 14.006 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.378 7.335 13.857 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.128 7.995 11.582 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.738 7.350 12.431 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.511 9.253 13.927 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.505 9.919 12.656 1.00 0.00 H new ATOM 0 HE ARG A 51 2.571 9.463 13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.443 8.041 15.417 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.616 7.705 16.941 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.528 9.026 15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.414 8.259 17.200 1.00 0.00 H new ATOM 824 N LYS A 52 8.433 6.939 12.657 1.00 0.00 N ATOM 825 CA LYS A 52 9.683 7.576 12.249 1.00 0.00 C ATOM 826 C LYS A 52 10.434 6.709 11.252 1.00 0.00 C ATOM 827 O LYS A 52 10.918 7.188 10.228 1.00 0.00 O ATOM 828 CB LYS A 52 10.564 7.864 13.467 1.00 0.00 C ATOM 829 CG LYS A 52 9.869 8.681 14.545 1.00 0.00 C ATOM 830 CD LYS A 52 10.872 9.395 15.441 1.00 0.00 C ATOM 831 CE LYS A 52 10.889 10.894 15.183 1.00 0.00 C ATOM 832 NZ LYS A 52 10.871 11.675 16.450 1.00 0.00 N ATOM 0 H LYS A 52 8.282 6.916 13.666 1.00 0.00 H new ATOM 0 HA LYS A 52 9.436 8.521 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.895 6.918 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.458 8.396 13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.210 9.414 14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.241 8.027 15.150 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.624 9.208 16.486 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.868 8.985 15.272 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.779 11.154 14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.026 11.168 14.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.883 12.692 16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.010 11.447 16.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.707 11.433 17.019 1.00 0.00 H new ATOM 846 N HIS A 53 10.508 5.429 11.550 1.00 0.00 N ATOM 847 CA HIS A 53 11.179 4.482 10.672 1.00 0.00 C ATOM 848 C HIS A 53 10.491 4.448 9.319 1.00 0.00 C ATOM 849 O HIS A 53 11.123 4.208 8.290 1.00 0.00 O ATOM 850 CB HIS A 53 11.175 3.092 11.296 1.00 0.00 C ATOM 851 CG HIS A 53 11.979 2.086 10.531 1.00 0.00 C ATOM 852 ND1 HIS A 53 13.235 1.673 10.924 1.00 0.00 N ATOM 853 CD2 HIS A 53 11.703 1.411 9.390 1.00 0.00 C ATOM 854 CE1 HIS A 53 13.696 0.788 10.058 1.00 0.00 C ATOM 855 NE2 HIS A 53 12.786 0.612 9.118 1.00 0.00 N ATOM 0 H HIS A 53 10.112 5.016 12.394 1.00 0.00 H new ATOM 0 HA HIS A 53 12.212 4.802 10.535 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.564 3.158 12.312 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.146 2.740 11.371 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.799 1.487 8.803 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.654 0.293 10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.873 -0.016 8.319 1.00 0.00 H new ATOM 864 N LEU A 54 9.191 4.711 9.329 1.00 0.00 N ATOM 865 CA LEU A 54 8.412 4.732 8.102 1.00 0.00 C ATOM 866 C LEU A 54 8.945 5.807 7.167 1.00 0.00 C ATOM 867 O LEU A 54 8.865 5.683 5.947 1.00 0.00 O ATOM 868 CB LEU A 54 6.934 4.982 8.410 1.00 0.00 C ATOM 869 CG LEU A 54 5.951 4.130 7.602 1.00 0.00 C ATOM 870 CD1 LEU A 54 5.344 3.042 8.474 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.860 5.002 6.999 1.00 0.00 C ATOM 0 H LEU A 54 8.656 4.912 10.173 1.00 0.00 H new ATOM 0 HA LEU A 54 8.502 3.762 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.763 4.799 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.714 6.034 8.229 1.00 0.00 H new ATOM 0 HG LEU A 54 6.498 3.652 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.648 2.447 7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.136 2.399 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.812 3.499 9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.171 4.380 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.316 5.508 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.310 5.744 6.339 1.00 0.00 H new ATOM 883 N LEU A 55 9.508 6.856 7.757 1.00 0.00 N ATOM 884 CA LEU A 55 10.077 7.954 6.984 1.00 0.00 C ATOM 885 C LEU A 55 11.174 7.434 6.068 1.00 0.00 C ATOM 886 O LEU A 55 11.423 7.984 4.996 1.00 0.00 O ATOM 887 CB LEU A 55 10.655 9.029 7.914 1.00 0.00 C ATOM 888 CG LEU A 55 9.648 9.810 8.778 1.00 0.00 C ATOM 889 CD1 LEU A 55 8.350 9.039 8.977 1.00 0.00 C ATOM 890 CD2 LEU A 55 10.267 10.141 10.127 1.00 0.00 C ATOM 0 H LEU A 55 9.583 6.969 8.768 1.00 0.00 H new ATOM 0 HA LEU A 55 9.282 8.397 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.376 8.552 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.208 9.744 7.305 1.00 0.00 H new ATOM 0 HG LEU A 55 9.406 10.732 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.668 9.627 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.889 8.846 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.562 8.092 9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.548 10.693 10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.538 9.218 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.159 10.749 9.979 1.00 0.00 H new ATOM 902 N GLU A 56 11.828 6.370 6.512 1.00 0.00 N ATOM 903 CA GLU A 56 12.909 5.757 5.754 1.00 0.00 C ATOM 904 C GLU A 56 12.373 4.963 4.567 1.00 0.00 C ATOM 905 O GLU A 56 13.093 4.714 3.601 1.00 0.00 O ATOM 906 CB GLU A 56 13.734 4.849 6.667 1.00 0.00 C ATOM 907 CG GLU A 56 14.211 5.537 7.936 1.00 0.00 C ATOM 908 CD GLU A 56 15.401 4.840 8.566 1.00 0.00 C ATOM 909 OE1 GLU A 56 16.075 4.061 7.860 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.660 5.075 9.765 1.00 0.00 O ATOM 0 H GLU A 56 11.627 5.911 7.400 1.00 0.00 H new ATOM 0 HA GLU A 56 13.545 6.552 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.136 3.979 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.599 4.482 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.478 6.569 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.393 5.572 8.655 1.00 0.00 H new ATOM 917 N GLU A 57 11.106 4.570 4.640 1.00 0.00 N ATOM 918 CA GLU A 57 10.485 3.809 3.560 1.00 0.00 C ATOM 919 C GLU A 57 9.839 4.742 2.550 1.00 0.00 C ATOM 920 O GLU A 57 9.738 4.424 1.365 1.00 0.00 O ATOM 921 CB GLU A 57 9.451 2.827 4.115 1.00 0.00 C ATOM 922 CG GLU A 57 9.868 2.173 5.423 1.00 0.00 C ATOM 923 CD GLU A 57 9.144 0.866 5.678 1.00 0.00 C ATOM 924 OE1 GLU A 57 7.898 0.851 5.591 1.00 0.00 O ATOM 925 OE2 GLU A 57 9.822 -0.143 5.963 1.00 0.00 O ATOM 0 H GLU A 57 10.491 4.764 5.430 1.00 0.00 H new ATOM 0 HA GLU A 57 11.265 3.239 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.508 3.353 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.267 2.050 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.943 1.992 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.672 2.859 6.247 1.00 0.00 H new ATOM 932 N ILE A 58 9.428 5.905 3.025 1.00 0.00 N ATOM 933 CA ILE A 58 8.818 6.903 2.166 1.00 0.00 C ATOM 934 C ILE A 58 9.892 7.822 1.607 1.00 0.00 C ATOM 935 O ILE A 58 9.721 8.433 0.553 1.00 0.00 O ATOM 936 CB ILE A 58 7.760 7.735 2.913 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.894 6.824 3.793 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.906 8.515 1.922 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.865 6.018 3.028 1.00 0.00 C ATOM 0 H ILE A 58 9.506 6.181 4.004 1.00 0.00 H new ATOM 0 HA ILE A 58 8.315 6.379 1.353 1.00 0.00 H new ATOM 0 HB ILE A 58 8.264 8.452 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.544 6.139 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.381 7.435 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.162 9.099 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.541 9.185 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.403 7.820 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.296 5.401 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.189 6.694 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.369 5.378 2.304 1.00 0.00 H new ATOM 951 N LYS A 59 11.016 7.890 2.316 1.00 0.00 N ATOM 952 CA LYS A 59 12.140 8.704 1.889 1.00 0.00 C ATOM 953 C LYS A 59 12.912 7.974 0.800 1.00 0.00 C ATOM 954 O LYS A 59 13.427 8.593 -0.131 1.00 0.00 O ATOM 955 CB LYS A 59 13.056 9.021 3.071 1.00 0.00 C ATOM 956 CG LYS A 59 14.270 9.855 2.691 1.00 0.00 C ATOM 957 CD LYS A 59 15.251 9.973 3.846 1.00 0.00 C ATOM 958 CE LYS A 59 16.691 9.911 3.362 1.00 0.00 C ATOM 959 NZ LYS A 59 17.658 9.901 4.494 1.00 0.00 N ATOM 0 H LYS A 59 11.168 7.388 3.191 1.00 0.00 H new ATOM 0 HA LYS A 59 11.764 9.647 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.484 9.552 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.393 8.087 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.769 9.403 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.947 10.850 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.083 10.912 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.071 9.170 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.832 9.016 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.895 10.767 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.628 9.858 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.541 10.767 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.481 9.071 5.095 1.00 0.00 H new ATOM 973 N ASN A 60 12.967 6.646 0.907 1.00 0.00 N ATOM 974 CA ASN A 60 13.652 5.838 -0.088 1.00 0.00 C ATOM 975 C ASN A 60 12.852 5.818 -1.389 1.00 0.00 C ATOM 976 O ASN A 60 13.350 5.396 -2.433 1.00 0.00 O ATOM 977 CB ASN A 60 13.859 4.413 0.426 1.00 0.00 C ATOM 978 CG ASN A 60 15.206 3.847 0.020 1.00 0.00 C ATOM 979 OD1 ASN A 60 15.941 3.309 0.848 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.536 3.970 -1.260 1.00 0.00 N ATOM 0 H ASN A 60 12.547 6.115 1.670 1.00 0.00 H new ATOM 0 HA ASN A 60 14.629 6.280 -0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.776 4.405 1.513 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.066 3.771 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.431 3.611 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.895 4.424 -1.911 1.00 0.00 H new ATOM 987 N HIS A 61 11.606 6.283 -1.311 1.00 0.00 N ATOM 988 CA HIS A 61 10.725 6.332 -2.460 1.00 0.00 C ATOM 989 C HIS A 61 10.027 7.689 -2.536 1.00 0.00 C ATOM 990 O HIS A 61 8.798 7.769 -2.553 1.00 0.00 O ATOM 991 CB HIS A 61 9.691 5.208 -2.377 1.00 0.00 C ATOM 992 CG HIS A 61 9.315 4.639 -3.710 1.00 0.00 C ATOM 993 ND1 HIS A 61 8.796 5.403 -4.735 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.385 3.373 -4.186 1.00 0.00 C ATOM 995 CE1 HIS A 61 8.562 4.631 -5.781 1.00 0.00 C ATOM 996 NE2 HIS A 61 8.911 3.396 -5.474 1.00 0.00 N ATOM 0 H HIS A 61 11.187 6.633 -0.450 1.00 0.00 H new ATOM 0 HA HIS A 61 11.319 6.197 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.085 4.409 -1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.794 5.586 -1.887 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.746 2.507 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.154 4.956 -6.727 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.840 2.589 -6.094 1.00 0.00 H new ATOM 1005 N ALA A 62 10.826 8.754 -2.571 1.00 0.00 N ATOM 1006 CA ALA A 62 10.300 10.115 -2.635 1.00 0.00 C ATOM 1007 C ALA A 62 9.531 10.470 -1.369 1.00 0.00 C ATOM 1008 O ALA A 62 8.379 10.068 -1.198 1.00 0.00 O ATOM 1009 CB ALA A 62 9.410 10.296 -3.857 1.00 0.00 C ATOM 0 H ALA A 62 11.844 8.699 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 62 11.151 10.791 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.030 11.317 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.988 10.101 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.573 9.599 -3.804 1.00 0.00 H new ATOM 1015 N LYS A 63 10.169 11.232 -0.486 1.00 0.00 N ATOM 1016 CA LYS A 63 9.538 11.648 0.761 1.00 0.00 C ATOM 1017 C LYS A 63 8.490 12.724 0.496 1.00 0.00 C ATOM 1018 O LYS A 63 8.604 13.850 0.981 1.00 0.00 O ATOM 1019 CB LYS A 63 10.589 12.177 1.741 1.00 0.00 C ATOM 1020 CG LYS A 63 11.532 13.200 1.126 1.00 0.00 C ATOM 1021 CD LYS A 63 11.442 14.542 1.834 1.00 0.00 C ATOM 1022 CE LYS A 63 11.489 15.697 0.847 1.00 0.00 C ATOM 1023 NZ LYS A 63 10.570 16.801 1.238 1.00 0.00 N ATOM 0 H LYS A 63 11.122 11.574 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 63 9.048 10.780 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.084 12.628 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.173 11.339 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.556 12.829 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.292 13.328 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.517 14.590 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.263 14.636 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.508 16.079 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.221 15.337 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.632 17.569 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.594 16.444 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.841 17.163 2.175 1.00 0.00 H new ATOM 1092 N ARG A 68 4.707 18.382 3.635 1.00 0.00 N ATOM 1093 CA ARG A 68 5.639 18.746 4.697 1.00 0.00 C ATOM 1094 C ARG A 68 6.129 17.511 5.446 1.00 0.00 C ATOM 1095 O ARG A 68 7.222 17.508 6.012 1.00 0.00 O ATOM 1096 CB ARG A 68 4.978 19.720 5.673 1.00 0.00 C ATOM 1097 CG ARG A 68 3.771 19.136 6.390 1.00 0.00 C ATOM 1098 CD ARG A 68 2.650 20.155 6.526 1.00 0.00 C ATOM 1099 NE ARG A 68 2.361 20.467 7.924 1.00 0.00 N ATOM 1100 CZ ARG A 68 1.407 21.310 8.313 1.00 0.00 C ATOM 1101 NH1 ARG A 68 0.649 21.926 7.415 1.00 0.00 N ATOM 1102 NH2 ARG A 68 1.211 21.537 9.605 1.00 0.00 N ATOM 0 HA ARG A 68 6.500 19.231 4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.713 20.035 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.670 20.613 5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.408 18.266 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.069 18.788 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.925 21.069 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.750 19.770 6.047 1.00 0.00 H new ATOM 0 HE ARG A 68 2.923 20.012 8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.796 21.755 6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.080 22.571 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.791 21.066 10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.480 22.183 9.904 1.00 0.00 H new ATOM 1116 N ASN A 69 5.314 16.466 5.443 1.00 0.00 N ATOM 1117 CA ASN A 69 5.659 15.221 6.121 1.00 0.00 C ATOM 1118 C ASN A 69 4.961 14.036 5.464 1.00 0.00 C ATOM 1119 O ASN A 69 4.252 14.195 4.470 1.00 0.00 O ATOM 1120 CB ASN A 69 5.279 15.296 7.601 1.00 0.00 C ATOM 1121 CG ASN A 69 5.940 16.463 8.309 1.00 0.00 C ATOM 1122 OD1 ASN A 69 7.165 16.582 8.324 1.00 0.00 O ATOM 1123 ND2 ASN A 69 5.129 17.332 8.901 1.00 0.00 N ATOM 0 H ASN A 69 4.406 16.454 4.978 1.00 0.00 H new ATOM 0 HA ASN A 69 6.737 15.078 6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.196 15.386 7.691 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.564 14.367 8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.516 18.137 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.119 17.194 8.863 1.00 0.00 H new ATOM 1130 N VAL A 70 5.166 12.848 6.023 1.00 0.00 N ATOM 1131 CA VAL A 70 4.554 11.640 5.484 1.00 0.00 C ATOM 1132 C VAL A 70 3.195 11.381 6.118 1.00 0.00 C ATOM 1133 O VAL A 70 2.284 10.863 5.473 1.00 0.00 O ATOM 1134 CB VAL A 70 5.458 10.406 5.686 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.721 10.159 7.163 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.845 9.175 5.036 1.00 0.00 C ATOM 0 H VAL A 70 5.749 12.696 6.846 1.00 0.00 H new ATOM 0 HA VAL A 70 4.423 11.805 4.415 1.00 0.00 H new ATOM 0 HB VAL A 70 6.414 10.607 5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.361 9.284 7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.216 11.029 7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.775 9.987 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.500 8.317 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.872 8.974 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.724 9.350 3.967 1.00 0.00 H new ATOM 1146 N ASP A 71 3.064 11.749 7.382 1.00 0.00 N ATOM 1147 CA ASP A 71 1.813 11.558 8.106 1.00 0.00 C ATOM 1148 C ASP A 71 0.700 12.392 7.491 1.00 0.00 C ATOM 1149 O ASP A 71 -0.466 11.998 7.500 1.00 0.00 O ATOM 1150 CB ASP A 71 1.988 11.914 9.584 1.00 0.00 C ATOM 1151 CG ASP A 71 2.034 10.687 10.474 1.00 0.00 C ATOM 1152 OD1 ASP A 71 2.383 9.599 9.968 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.720 10.813 11.676 1.00 0.00 O ATOM 0 H ASP A 71 3.807 12.182 7.930 1.00 0.00 H new ATOM 0 HA ASP A 71 1.536 10.507 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.907 12.486 9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.167 12.557 9.899 1.00 0.00 H new ATOM 1158 N VAL A 72 1.071 13.539 6.945 1.00 0.00 N ATOM 1159 CA VAL A 72 0.105 14.425 6.308 1.00 0.00 C ATOM 1160 C VAL A 72 -0.198 13.955 4.893 1.00 0.00 C ATOM 1161 O VAL A 72 -1.241 14.283 4.327 1.00 0.00 O ATOM 1162 CB VAL A 72 0.604 15.884 6.261 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -0.562 16.840 6.053 1.00 0.00 C ATOM 1164 CG2 VAL A 72 1.370 16.235 7.530 1.00 0.00 C ATOM 0 H VAL A 72 2.032 13.880 6.929 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.802 14.392 6.911 1.00 0.00 H new ATOM 0 HB VAL A 72 1.286 15.985 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.191 17.865 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.061 16.606 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.270 16.735 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.712 17.268 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.717 16.115 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.230 15.573 7.631 1.00 0.00 H new ATOM 1174 N HIS A 73 0.717 13.173 4.331 1.00 0.00 N ATOM 1175 CA HIS A 73 0.546 12.643 2.988 1.00 0.00 C ATOM 1176 C HIS A 73 -0.359 11.421 3.011 1.00 0.00 C ATOM 1177 O HIS A 73 -1.049 11.127 2.035 1.00 0.00 O ATOM 1178 CB HIS A 73 1.902 12.290 2.373 1.00 0.00 C ATOM 1179 CG HIS A 73 2.121 12.895 1.022 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.780 14.196 0.716 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.649 12.371 -0.110 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.089 14.445 -0.543 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.618 13.355 -1.067 1.00 0.00 N ATOM 0 H HIS A 73 1.585 12.893 4.787 1.00 0.00 H new ATOM 0 HA HIS A 73 0.077 13.411 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.694 12.623 3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.985 11.206 2.295 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.355 14.862 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.024 11.366 -0.236 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.935 15.382 -1.057 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.363 10.718 4.138 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.199 9.537 4.286 1.00 0.00 C ATOM 1194 C ILE A 74 -2.662 9.937 4.438 1.00 0.00 C ATOM 1195 O ILE A 74 -3.565 9.177 4.087 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.766 8.673 5.492 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.641 8.111 5.252 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.767 7.546 5.732 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.978 6.901 6.099 1.00 0.00 C ATOM 0 H ILE A 74 0.201 10.945 4.957 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.077 8.939 3.383 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.745 9.298 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.739 7.843 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.372 8.895 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.445 6.949 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.750 7.970 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.822 6.913 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.989 6.566 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.915 7.167 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.272 6.099 5.884 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.889 11.140 4.955 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.240 11.642 5.140 1.00 0.00 C ATOM 1213 C ALA A 75 -4.879 11.958 3.801 1.00 0.00 C ATOM 1214 O ALA A 75 -6.032 11.609 3.550 1.00 0.00 O ATOM 1215 CB ALA A 75 -4.239 12.868 6.040 1.00 0.00 C ATOM 0 H ALA A 75 -2.154 11.782 5.252 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.831 10.865 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.260 13.228 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.825 12.605 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.631 13.651 5.587 1.00 0.00 H new ATOM 1221 N SER A 76 -4.110 12.598 2.938 1.00 0.00 N ATOM 1222 CA SER A 76 -4.588 12.940 1.607 1.00 0.00 C ATOM 1223 C SER A 76 -4.725 11.678 0.774 1.00 0.00 C ATOM 1224 O SER A 76 -5.551 11.605 -0.137 1.00 0.00 O ATOM 1225 CB SER A 76 -3.638 13.928 0.927 1.00 0.00 C ATOM 1226 OG SER A 76 -4.129 14.318 -0.343 1.00 0.00 O ATOM 0 H SER A 76 -3.153 12.892 3.133 1.00 0.00 H new ATOM 0 HA SER A 76 -5.564 13.418 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.512 14.808 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.654 13.473 0.815 1.00 0.00 H new ATOM 0 HG SER A 76 -3.756 13.730 -1.033 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.925 10.676 1.112 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.972 9.404 0.418 1.00 0.00 C ATOM 1234 C LEU A 77 -5.319 8.747 0.652 1.00 0.00 C ATOM 1235 O LEU A 77 -5.862 8.082 -0.227 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.852 8.481 0.897 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.867 7.083 0.281 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.782 7.171 -1.234 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.728 6.241 0.834 1.00 0.00 C ATOM 0 H LEU A 77 -3.237 10.723 1.863 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.834 9.584 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.894 8.950 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.917 8.386 1.981 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.807 6.599 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.794 6.167 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.634 7.735 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.858 7.674 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.756 5.249 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.776 6.719 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.834 6.151 1.915 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.857 8.954 1.845 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.153 8.396 2.205 1.00 0.00 C ATOM 1253 C ARG A 78 -8.227 8.859 1.228 1.00 0.00 C ATOM 1254 O ARG A 78 -9.266 8.215 1.080 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.530 8.802 3.631 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.820 8.165 4.125 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.662 9.153 4.916 1.00 0.00 C ATOM 1258 NE ARG A 78 -10.953 8.588 5.300 1.00 0.00 N ATOM 1259 CZ ARG A 78 -11.113 7.704 6.282 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -10.067 7.282 6.981 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -12.323 7.241 6.567 1.00 0.00 N ATOM 0 H ARG A 78 -5.416 9.505 2.581 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.083 7.309 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.718 8.528 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.629 9.886 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.393 7.796 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.585 7.303 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.119 9.457 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.822 10.051 4.320 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.781 8.889 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.134 7.635 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.196 6.604 7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.131 7.562 6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.446 6.564 7.320 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.971 9.982 0.563 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.921 10.528 -0.398 1.00 0.00 C ATOM 1277 C LYS A 79 -8.849 9.790 -1.727 1.00 0.00 C ATOM 1278 O LYS A 79 -9.872 9.422 -2.305 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.666 12.021 -0.612 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.938 12.838 -0.776 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.724 14.023 -1.703 1.00 0.00 C ATOM 1282 CE LYS A 79 -9.551 13.577 -3.147 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.107 14.571 -4.106 1.00 0.00 N ATOM 0 H LYS A 79 -7.117 10.529 0.672 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.922 10.393 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.101 12.410 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.043 12.152 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.731 12.203 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.272 13.193 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.574 14.702 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.843 14.580 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.492 13.425 -3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.046 12.617 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.969 14.230 -5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.123 14.698 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.618 15.481 -3.986 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.636 9.582 -2.204 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.415 8.893 -3.466 1.00 0.00 C ATOM 1299 C LYS A 80 -7.439 7.384 -3.276 1.00 0.00 C ATOM 1300 O LYS A 80 -8.138 6.662 -3.987 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.082 9.322 -4.080 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.871 10.828 -4.085 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.595 11.351 -5.486 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.292 12.679 -5.732 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.826 13.735 -4.790 1.00 0.00 N ATOM 0 H LYS A 80 -6.782 9.882 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.223 9.166 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.269 8.851 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.027 8.952 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.755 11.321 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.037 11.081 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.521 11.471 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.932 10.620 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.109 13.001 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.369 12.548 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.222 14.654 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.143 13.505 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.787 13.784 -4.810 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.667 6.923 -2.308 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.577 5.501 -1.996 1.00 0.00 C ATOM 1321 C LEU A 81 -7.959 4.907 -1.742 1.00 0.00 C ATOM 1322 O LEU A 81 -8.453 4.100 -2.530 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.680 5.289 -0.771 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.610 3.855 -0.235 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.597 2.846 -1.374 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.381 3.680 0.649 1.00 0.00 C ATOM 0 H LEU A 81 -6.086 7.517 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.140 4.990 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.670 5.612 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.032 5.939 0.030 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.501 3.672 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.547 1.837 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.506 2.953 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.728 3.024 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.344 2.657 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.482 3.887 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.436 4.371 1.490 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.581 5.313 -0.640 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.901 4.812 -0.308 1.00 0.00 C ATOM 1340 C GLY A 82 -9.946 4.139 1.050 1.00 0.00 C ATOM 1341 O GLY A 82 -9.395 4.652 2.024 1.00 0.00 O ATOM 0 H GLY A 82 -8.195 5.980 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.613 5.637 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.219 4.102 -1.072 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.607 2.988 1.114 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.727 2.243 2.362 1.00 0.00 C ATOM 1347 C ALA A 83 -9.377 1.704 2.825 1.00 0.00 C ATOM 1348 O ALA A 83 -9.212 1.338 3.989 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.724 1.105 2.201 1.00 0.00 C ATOM 0 H ALA A 83 -11.068 2.551 0.316 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.090 2.929 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.805 0.556 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.699 1.511 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.383 0.431 1.415 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.413 1.657 1.912 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.082 1.162 2.236 1.00 0.00 C ATOM 1357 C TYR A 84 -6.288 2.201 3.023 1.00 0.00 C ATOM 1358 O TYR A 84 -5.334 1.864 3.724 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.328 0.778 0.962 1.00 0.00 C ATOM 1360 CG TYR A 84 -5.553 -0.514 1.087 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -4.422 -0.592 1.890 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.952 -1.655 0.402 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -3.711 -1.770 2.007 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.246 -2.837 0.514 1.00 0.00 C ATOM 1365 CZ TYR A 84 -4.126 -2.889 1.318 1.00 0.00 C ATOM 1366 OH TYR A 84 -3.420 -4.065 1.432 1.00 0.00 O ATOM 0 H TYR A 84 -8.529 1.955 0.944 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.197 0.275 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.040 0.688 0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.640 1.582 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.094 0.283 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.828 -1.617 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.834 -1.814 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.569 -3.716 -0.025 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.846 -4.757 0.883 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.687 3.464 2.914 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.998 4.514 3.640 1.00 0.00 C ATOM 1378 C GLY A 85 -6.153 4.346 5.134 1.00 0.00 C ATOM 1379 O GLY A 85 -5.234 4.633 5.902 1.00 0.00 O ATOM 0 H GLY A 85 -7.470 3.778 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.940 4.504 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.392 5.485 3.339 1.00 0.00 H new ATOM 1383 N SER A 86 -7.320 3.862 5.543 1.00 0.00 N ATOM 1384 CA SER A 86 -7.602 3.634 6.952 1.00 0.00 C ATOM 1385 C SER A 86 -6.875 2.387 7.449 1.00 0.00 C ATOM 1386 O SER A 86 -6.748 2.172 8.654 1.00 0.00 O ATOM 1387 CB SER A 86 -9.108 3.487 7.177 1.00 0.00 C ATOM 1388 OG SER A 86 -9.503 4.093 8.395 1.00 0.00 O ATOM 0 H SER A 86 -8.087 3.620 4.916 1.00 0.00 H new ATOM 0 HA SER A 86 -7.244 4.495 7.516 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.649 3.943 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.376 2.430 7.189 1.00 0.00 H new ATOM 0 HG SER A 86 -10.470 3.987 8.515 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.393 1.568 6.513 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.674 0.348 6.864 1.00 0.00 C ATOM 1396 C ARG A 87 -4.537 0.651 7.833 1.00 0.00 C ATOM 1397 O ARG A 87 -4.321 -0.081 8.797 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.127 -0.328 5.610 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.306 -1.833 5.620 1.00 0.00 C ATOM 1400 CD ARG A 87 -6.506 -2.256 4.787 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.769 -1.899 5.429 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.940 -1.870 4.797 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -9.015 -2.180 3.509 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -10.040 -1.531 5.456 1.00 0.00 N ATOM 0 H ARG A 87 -6.488 1.729 5.510 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.374 -0.330 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.627 0.086 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.067 -0.095 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.406 -2.310 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.434 -2.179 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.451 -1.784 3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.473 -3.333 4.624 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.752 -1.658 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.172 -2.442 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.915 -2.156 3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.988 -1.293 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.938 -1.509 4.972 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.821 1.742 7.575 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.711 2.144 8.433 1.00 0.00 C ATOM 1420 C ILE A 88 -3.205 2.489 9.834 1.00 0.00 C ATOM 1421 O ILE A 88 -3.798 3.546 10.049 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.960 3.358 7.849 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.593 3.104 6.384 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.713 3.658 8.670 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.423 3.906 5.405 1.00 0.00 C ATOM 0 H ILE A 88 -3.989 2.361 6.782 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.026 1.298 8.488 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.617 4.227 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.540 3.342 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.714 2.043 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.195 4.517 8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.999 3.880 9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.051 2.792 8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.108 3.676 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.476 3.651 5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.283 4.970 5.596 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.965 1.590 10.784 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.397 1.804 12.160 1.00 0.00 C ATOM 1439 C VAL A 89 -2.263 2.352 13.020 1.00 0.00 C ATOM 1440 O VAL A 89 -1.185 1.762 13.095 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.921 0.501 12.794 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.581 0.786 14.134 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.890 -0.199 11.852 1.00 0.00 C ATOM 0 H VAL A 89 -2.475 0.709 10.626 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.205 2.535 12.124 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.074 -0.163 12.967 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.945 -0.146 14.566 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.854 1.239 14.808 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.418 1.470 13.989 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.250 -1.117 12.316 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.735 0.458 11.645 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.380 -0.440 10.919 1.00 0.00 H new ATOM 1453 N THR A 90 -2.519 3.481 13.674 1.00 0.00 N ATOM 1454 CA THR A 90 -1.525 4.109 14.537 1.00 0.00 C ATOM 1455 C THR A 90 -1.838 3.832 16.003 1.00 0.00 C ATOM 1456 O THR A 90 -2.503 4.626 16.668 1.00 0.00 O ATOM 1457 CB THR A 90 -1.480 5.618 14.287 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.423 5.895 12.899 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.297 6.298 14.941 1.00 0.00 C ATOM 0 H THR A 90 -3.407 3.980 13.622 1.00 0.00 H new ATOM 0 HA THR A 90 -0.549 3.684 14.302 1.00 0.00 H new ATOM 0 HB THR A 90 -2.395 6.012 14.730 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.491 5.866 12.598 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.326 7.366 14.724 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.340 6.145 16.019 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.628 5.873 14.551 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.359 2.696 16.500 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.592 2.307 17.885 1.00 0.00 C ATOM 1469 C LEU A 91 -0.726 3.123 18.838 1.00 0.00 C ATOM 1470 O LEU A 91 0.496 3.168 18.697 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.307 0.816 18.069 1.00 0.00 C ATOM 1472 CG LEU A 91 -2.409 -0.121 17.569 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.812 -1.292 16.804 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -3.254 -0.618 18.732 1.00 0.00 C ATOM 0 H LEU A 91 -0.806 2.028 15.963 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.638 2.505 18.119 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.380 0.572 17.549 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.139 0.622 19.128 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.052 0.438 16.890 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.612 -1.946 16.457 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.251 -0.919 15.947 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.144 -1.852 17.459 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.033 -1.283 18.358 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.622 -1.159 19.436 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.714 0.232 19.237 1.00 0.00 H new ATOM 1486 N ARG A 92 -1.366 3.763 19.812 1.00 0.00 N ATOM 1487 CA ARG A 92 -0.652 4.571 20.793 1.00 0.00 C ATOM 1488 C ARG A 92 0.086 3.677 21.786 1.00 0.00 C ATOM 1489 O ARG A 92 -0.284 3.587 22.956 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.626 5.498 21.528 1.00 0.00 C ATOM 1491 CG ARG A 92 -1.304 6.974 21.360 1.00 0.00 C ATOM 1492 CD ARG A 92 -1.335 7.387 19.897 1.00 0.00 C ATOM 1493 NE ARG A 92 -0.482 8.545 19.637 1.00 0.00 N ATOM 1494 CZ ARG A 92 -0.836 9.801 19.903 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -2.021 10.066 20.440 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -0.002 10.796 19.631 1.00 0.00 N ATOM 0 H ARG A 92 -2.377 3.737 19.942 1.00 0.00 H new ATOM 0 HA ARG A 92 0.083 5.183 20.270 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.637 5.311 21.165 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.618 5.251 22.590 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.022 7.571 21.923 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.319 7.183 21.777 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.010 6.551 19.277 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.360 7.619 19.607 1.00 0.00 H new ATOM 0 HE ARG A 92 0.438 8.382 19.228 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.667 9.305 20.651 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.286 11.030 20.641 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.910 10.599 19.218 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.272 11.758 19.834 1.00 0.00 H new ATOM 1510 N GLY A 93 1.129 3.012 21.303 1.00 0.00 N ATOM 1511 CA GLY A 93 1.905 2.126 22.150 1.00 0.00 C ATOM 1512 C GLY A 93 2.630 1.062 21.352 1.00 0.00 C ATOM 1513 O GLY A 93 3.724 0.634 21.721 1.00 0.00 O ATOM 0 H GLY A 93 1.452 3.071 20.337 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.630 2.710 22.716 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.245 1.648 22.874 1.00 0.00 H new ATOM 1517 N VAL A 94 2.020 0.638 20.249 1.00 0.00 N ATOM 1518 CA VAL A 94 2.614 -0.377 19.388 1.00 0.00 C ATOM 1519 C VAL A 94 3.370 0.269 18.234 1.00 0.00 C ATOM 1520 O VAL A 94 4.488 -0.131 17.907 1.00 0.00 O ATOM 1521 CB VAL A 94 1.549 -1.334 18.813 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.200 -2.608 18.299 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.485 -1.653 19.855 1.00 0.00 C ATOM 0 H VAL A 94 1.114 0.982 19.931 1.00 0.00 H new ATOM 0 HA VAL A 94 3.304 -0.951 20.007 1.00 0.00 H new ATOM 0 HB VAL A 94 1.060 -0.836 17.976 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.434 -3.271 17.897 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.914 -2.360 17.514 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.719 -3.107 19.117 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.254 -2.329 19.425 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.952 -2.127 20.718 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.005 -0.731 20.168 1.00 0.00 H new ATOM 1533 N GLY A 95 2.751 1.273 17.620 1.00 0.00 N ATOM 1534 CA GLY A 95 3.377 1.964 16.508 1.00 0.00 C ATOM 1535 C GLY A 95 2.468 2.054 15.299 1.00 0.00 C ATOM 1536 O GLY A 95 1.438 2.726 15.336 1.00 0.00 O ATOM 0 H GLY A 95 1.826 1.620 17.873 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.661 2.969 16.821 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.295 1.445 16.231 1.00 0.00 H new ATOM 1540 N TYR A 96 2.851 1.374 14.225 1.00 0.00 N ATOM 1541 CA TYR A 96 2.065 1.375 12.997 1.00 0.00 C ATOM 1542 C TYR A 96 1.675 -0.047 12.607 1.00 0.00 C ATOM 1543 O TYR A 96 2.519 -0.840 12.189 1.00 0.00 O ATOM 1544 CB TYR A 96 2.855 2.034 11.864 1.00 0.00 C ATOM 1545 CG TYR A 96 2.429 3.456 11.575 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.286 4.381 12.602 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.171 3.874 10.276 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.897 5.682 12.342 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.782 5.172 10.007 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.647 6.072 11.043 1.00 0.00 C ATOM 1551 OH TYR A 96 1.259 7.366 10.779 1.00 0.00 O ATOM 0 H TYR A 96 3.702 0.814 14.180 1.00 0.00 H new ATOM 0 HA TYR A 96 1.154 1.947 13.172 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.915 2.026 12.119 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.741 1.438 10.958 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.482 4.079 13.620 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.276 3.172 9.462 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.790 6.389 13.151 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.585 5.480 8.991 1.00 0.00 H new ATOM 0 HH TYR A 96 2.033 7.884 10.473 1.00 0.00 H new ATOM 1561 N LEU A 97 0.393 -0.366 12.749 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.102 -1.694 12.412 1.00 0.00 C ATOM 1563 C LEU A 97 -1.129 -1.623 11.289 1.00 0.00 C ATOM 1564 O LEU A 97 -2.334 -1.686 11.531 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.719 -2.361 13.644 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.934 -3.874 13.530 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.112 -4.179 12.618 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.327 -4.558 13.022 1.00 0.00 C ATOM 0 H LEU A 97 -0.320 0.276 13.095 1.00 0.00 H new ATOM 0 HA LEU A 97 0.742 -2.292 12.070 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.077 -2.165 14.503 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.679 -1.889 13.850 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.158 -4.264 14.523 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.249 -5.258 12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.015 -3.724 13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.918 -3.774 11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.154 -5.632 12.948 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.584 -4.163 12.039 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.147 -4.370 13.715 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.644 -1.493 10.059 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.524 -1.419 8.900 1.00 0.00 C ATOM 1582 C PHE A 98 -2.184 -2.771 8.649 1.00 0.00 C ATOM 1583 O PHE A 98 -1.875 -3.458 7.677 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.752 -0.961 7.656 1.00 0.00 C ATOM 1585 CG PHE A 98 0.574 -1.645 7.464 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.725 -1.131 8.041 1.00 0.00 C ATOM 1587 CD2 PHE A 98 0.669 -2.798 6.702 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.944 -1.756 7.863 1.00 0.00 C ATOM 1589 CE2 PHE A 98 1.886 -3.427 6.521 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.025 -2.905 7.103 1.00 0.00 C ATOM 0 H PHE A 98 0.351 -1.437 9.840 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.301 -0.683 9.107 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.369 -1.136 6.775 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.587 0.114 7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.668 -0.232 8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.218 -3.210 6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.833 -1.346 8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.947 -4.326 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.977 -3.395 6.963 1.00 0.00 H new ATOM 1600 N SER A 99 -3.092 -3.147 9.545 1.00 0.00 N ATOM 1601 CA SER A 99 -3.797 -4.420 9.437 1.00 0.00 C ATOM 1602 C SER A 99 -4.758 -4.421 8.253 1.00 0.00 C ATOM 1603 O SER A 99 -5.721 -3.655 8.221 1.00 0.00 O ATOM 1604 CB SER A 99 -4.562 -4.713 10.729 1.00 0.00 C ATOM 1605 OG SER A 99 -4.888 -3.515 11.412 1.00 0.00 O ATOM 0 H SER A 99 -3.357 -2.587 10.355 1.00 0.00 H new ATOM 0 HA SER A 99 -3.054 -5.201 9.274 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.474 -5.263 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.959 -5.351 11.375 1.00 0.00 H new ATOM 0 HG SER A 99 -5.378 -3.730 12.233 1.00 0.00 H new