USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 CYS SG : rot 116:sc= -0.761 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -0.712 K(o=-0.22,f=-6.6!) USER MOD Set 2.2: A 82 TYR OH : rot 20:sc= 0.496 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0484 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -1.29 (180deg=-1.94!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.0444 (180deg=-0.761) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0869 K(o=-0.087,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.211 K(o=-0.21,f=-3.4!) USER MOD Single : A 54 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.011) USER MOD Single : A 57 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -150:sc= -5.34! (180deg=-8.48!) USER MOD Single : A 72 TYR OH : rot 180:sc=-0.00446 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.114 X(o=0.11,f=-0.083) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -3.885 -12.560 0.185 1.00 0.00 N ATOM 69 CA VAL A 8 -3.085 -11.367 -0.068 1.00 0.00 C ATOM 70 C VAL A 8 -1.974 -11.654 -1.073 1.00 0.00 C ATOM 71 O VAL A 8 -1.619 -10.798 -1.882 1.00 0.00 O ATOM 72 CB VAL A 8 -2.461 -10.823 1.230 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.799 -9.476 0.982 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.512 -10.716 2.325 1.00 0.00 C ATOM 0 HA VAL A 8 -3.759 -10.616 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.694 -11.522 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.364 -9.108 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.015 -9.588 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.544 -8.765 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.052 -10.330 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.304 -10.040 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.934 -11.702 2.522 1.00 0.00 H new ATOM 84 N SER A 9 -1.429 -12.864 -1.014 1.00 0.00 N ATOM 85 CA SER A 9 -0.357 -13.264 -1.919 1.00 0.00 C ATOM 86 C SER A 9 -0.838 -13.260 -3.366 1.00 0.00 C ATOM 87 O SER A 9 -0.117 -12.834 -4.269 1.00 0.00 O ATOM 88 CB SER A 9 0.162 -14.654 -1.546 1.00 0.00 C ATOM 89 OG SER A 9 -0.770 -15.660 -1.904 1.00 0.00 O ATOM 0 H SER A 9 -1.711 -13.585 -0.350 1.00 0.00 H new ATOM 0 HA SER A 9 0.455 -12.543 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.111 -14.838 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.355 -14.698 -0.474 1.00 0.00 H new ATOM 0 HG SER A 9 -0.414 -16.539 -1.657 1.00 0.00 H new ATOM 95 N GLN A 10 -2.060 -13.735 -3.580 1.00 0.00 N ATOM 96 CA GLN A 10 -2.637 -13.785 -4.918 1.00 0.00 C ATOM 97 C GLN A 10 -2.833 -12.379 -5.478 1.00 0.00 C ATOM 98 O GLN A 10 -2.628 -12.140 -6.668 1.00 0.00 O ATOM 99 CB GLN A 10 -3.974 -14.530 -4.892 1.00 0.00 C ATOM 100 CG GLN A 10 -3.898 -15.934 -5.469 1.00 0.00 C ATOM 101 CD GLN A 10 -5.112 -16.286 -6.308 1.00 0.00 C ATOM 102 OE1 GLN A 10 -5.016 -16.441 -7.525 1.00 0.00 O ATOM 103 NE2 GLN A 10 -6.264 -16.412 -5.659 1.00 0.00 N ATOM 0 H GLN A 10 -2.670 -14.091 -2.844 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.944 -14.321 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.329 -14.588 -3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.712 -13.955 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.000 -16.024 -6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.803 -16.653 -4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.298 -16.275 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.115 -16.646 -6.171 1.00 0.00 H new ATOM 112 N ARG A 11 -3.229 -11.453 -4.611 1.00 0.00 N ATOM 113 CA ARG A 11 -3.452 -10.071 -5.017 1.00 0.00 C ATOM 114 C ARG A 11 -2.148 -9.423 -5.477 1.00 0.00 C ATOM 115 O ARG A 11 -1.062 -9.831 -5.066 1.00 0.00 O ATOM 116 CB ARG A 11 -4.054 -9.270 -3.860 1.00 0.00 C ATOM 117 CG ARG A 11 -5.361 -9.845 -3.338 1.00 0.00 C ATOM 118 CD ARG A 11 -6.465 -9.756 -4.379 1.00 0.00 C ATOM 119 NE ARG A 11 -7.264 -10.978 -4.435 1.00 0.00 N ATOM 120 CZ ARG A 11 -8.225 -11.277 -3.563 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.511 -10.445 -2.569 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.903 -12.410 -3.687 1.00 0.00 N ATOM 0 H ARG A 11 -3.402 -11.635 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.152 -10.070 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.333 -9.229 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.223 -8.244 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.213 -10.886 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.663 -9.307 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.112 -8.910 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.026 -9.565 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.074 -11.641 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.994 -9.572 -2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.248 -10.679 -1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.688 -13.052 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.639 -12.639 -3.019 1.00 0.00 H new ATOM 136 N PRO A 12 -2.239 -8.396 -6.341 1.00 0.00 N ATOM 137 CA PRO A 12 -1.061 -7.690 -6.856 1.00 0.00 C ATOM 138 C PRO A 12 -0.258 -7.020 -5.747 1.00 0.00 C ATOM 139 O PRO A 12 -0.561 -7.179 -4.565 1.00 0.00 O ATOM 140 CB PRO A 12 -1.650 -6.635 -7.802 1.00 0.00 C ATOM 141 CG PRO A 12 -3.073 -6.492 -7.386 1.00 0.00 C ATOM 142 CD PRO A 12 -3.492 -7.843 -6.881 1.00 0.00 C ATOM 0 HA PRO A 12 -0.364 -8.372 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.117 -5.688 -7.717 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.573 -6.951 -8.842 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.179 -5.735 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.695 -6.178 -8.224 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.263 -7.766 -6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.897 -8.465 -7.679 1.00 0.00 H new ATOM 150 N PHE A 13 0.769 -6.273 -6.136 1.00 0.00 N ATOM 151 CA PHE A 13 1.617 -5.578 -5.174 1.00 0.00 C ATOM 152 C PHE A 13 1.083 -4.178 -4.888 1.00 0.00 C ATOM 153 O PHE A 13 1.258 -3.649 -3.790 1.00 0.00 O ATOM 154 CB PHE A 13 3.052 -5.494 -5.697 1.00 0.00 C ATOM 155 CG PHE A 13 4.007 -4.854 -4.730 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.457 -5.550 -3.619 1.00 0.00 C ATOM 157 CD2 PHE A 13 4.454 -3.559 -4.932 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.336 -4.964 -2.727 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.333 -2.968 -4.043 1.00 0.00 C ATOM 160 CZ PHE A 13 5.775 -3.671 -2.940 1.00 0.00 C ATOM 0 H PHE A 13 1.035 -6.133 -7.111 1.00 0.00 H new ATOM 0 HA PHE A 13 1.609 -6.145 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.404 -6.499 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.058 -4.929 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.117 -6.561 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.112 -3.004 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.679 -5.516 -1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.674 -1.957 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.462 -3.211 -2.245 1.00 0.00 H new ATOM 170 N ARG A 14 0.434 -3.583 -5.882 1.00 0.00 N ATOM 171 CA ARG A 14 -0.126 -2.245 -5.738 1.00 0.00 C ATOM 172 C ARG A 14 -1.219 -2.223 -4.674 1.00 0.00 C ATOM 173 O ARG A 14 -1.262 -1.329 -3.830 1.00 0.00 O ATOM 174 CB ARG A 14 -0.683 -1.755 -7.077 1.00 0.00 C ATOM 175 CG ARG A 14 -0.057 -0.458 -7.560 1.00 0.00 C ATOM 176 CD ARG A 14 -0.754 0.068 -8.804 1.00 0.00 C ATOM 177 NE ARG A 14 -0.403 -0.704 -9.995 1.00 0.00 N ATOM 178 CZ ARG A 14 -1.111 -0.690 -11.122 1.00 0.00 C ATOM 179 NH1 ARG A 14 -2.208 0.052 -11.216 1.00 0.00 N ATOM 180 NH2 ARG A 14 -0.722 -1.420 -12.158 1.00 0.00 N ATOM 0 H ARG A 14 0.283 -4.007 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 14 0.673 -1.575 -5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.526 -2.527 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.760 -1.616 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.110 0.290 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.999 -0.620 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.833 0.036 -8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.484 1.113 -8.957 1.00 0.00 H new ATOM 0 HE ARG A 14 0.433 -1.287 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.512 0.615 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.746 0.059 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.120 -1.992 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.264 -1.409 -13.022 1.00 0.00 H new ATOM 194 N ASP A 15 -2.104 -3.214 -4.723 1.00 0.00 N ATOM 195 CA ASP A 15 -3.199 -3.309 -3.765 1.00 0.00 C ATOM 196 C ASP A 15 -2.669 -3.524 -2.350 1.00 0.00 C ATOM 197 O ASP A 15 -3.214 -2.989 -1.385 1.00 0.00 O ATOM 198 CB ASP A 15 -4.141 -4.452 -4.147 1.00 0.00 C ATOM 199 CG ASP A 15 -5.269 -3.993 -5.051 1.00 0.00 C ATOM 200 OD1 ASP A 15 -4.976 -3.493 -6.158 1.00 0.00 O ATOM 201 OD2 ASP A 15 -6.444 -4.134 -4.653 1.00 0.00 O ATOM 0 H ASP A 15 -2.084 -3.962 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.750 -2.369 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.573 -5.235 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.560 -4.892 -3.242 1.00 0.00 H new ATOM 206 N ARG A 16 -1.604 -4.311 -2.235 1.00 0.00 N ATOM 207 CA ARG A 16 -1.001 -4.597 -0.939 1.00 0.00 C ATOM 208 C ARG A 16 -0.508 -3.317 -0.272 1.00 0.00 C ATOM 209 O ARG A 16 -0.733 -3.099 0.919 1.00 0.00 O ATOM 210 CB ARG A 16 0.159 -5.581 -1.098 1.00 0.00 C ATOM 211 CG ARG A 16 -0.267 -7.039 -1.041 1.00 0.00 C ATOM 212 CD ARG A 16 0.567 -7.903 -1.974 1.00 0.00 C ATOM 213 NE ARG A 16 1.585 -8.665 -1.254 1.00 0.00 N ATOM 214 CZ ARG A 16 2.773 -8.174 -0.903 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.097 -6.921 -1.200 1.00 0.00 N ATOM 216 NH2 ARG A 16 3.638 -8.939 -0.253 1.00 0.00 N ATOM 0 H ARG A 16 -1.141 -4.762 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.765 -5.045 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.656 -5.393 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.893 -5.395 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.170 -7.407 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.320 -7.122 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.086 -8.590 -2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.048 -7.270 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 16 1.373 -9.631 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.435 -6.328 -1.700 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.008 -6.552 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.394 -9.902 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.548 -8.565 0.016 1.00 0.00 H new ATOM 230 N VAL A 17 0.168 -2.474 -1.045 1.00 0.00 N ATOM 231 CA VAL A 17 0.695 -1.217 -0.529 1.00 0.00 C ATOM 232 C VAL A 17 -0.391 -0.147 -0.469 1.00 0.00 C ATOM 233 O VAL A 17 -0.400 0.693 0.431 1.00 0.00 O ATOM 234 CB VAL A 17 1.862 -0.701 -1.391 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.512 0.514 -0.743 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.883 -1.805 -1.622 1.00 0.00 C ATOM 0 H VAL A 17 0.364 -2.639 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 17 1.059 -1.417 0.479 1.00 0.00 H new ATOM 0 HB VAL A 17 1.467 -0.396 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.334 0.863 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.774 1.309 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.894 0.241 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.701 -1.422 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.275 -2.145 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.406 -2.640 -2.136 1.00 0.00 H new ATOM 246 N LEU A 18 -1.302 -0.182 -1.435 1.00 0.00 N ATOM 247 CA LEU A 18 -2.391 0.787 -1.493 1.00 0.00 C ATOM 248 C LEU A 18 -3.336 0.619 -0.307 1.00 0.00 C ATOM 249 O LEU A 18 -3.942 1.583 0.157 1.00 0.00 O ATOM 250 CB LEU A 18 -3.167 0.634 -2.803 1.00 0.00 C ATOM 251 CG LEU A 18 -4.366 1.571 -2.957 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.911 2.950 -3.409 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.371 0.991 -3.942 1.00 0.00 C ATOM 0 H LEU A 18 -1.308 -0.870 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.957 1.786 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.483 0.804 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.517 -0.395 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.852 1.671 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.777 3.603 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.228 3.368 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.401 2.868 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.218 1.670 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.895 0.862 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.721 0.025 -3.578 1.00 0.00 H new ATOM 265 N HIS A 19 -3.459 -0.613 0.177 1.00 0.00 N ATOM 266 CA HIS A 19 -4.331 -0.907 1.307 1.00 0.00 C ATOM 267 C HIS A 19 -3.637 -0.595 2.629 1.00 0.00 C ATOM 268 O HIS A 19 -4.284 -0.234 3.612 1.00 0.00 O ATOM 269 CB HIS A 19 -4.763 -2.373 1.278 1.00 0.00 C ATOM 270 CG HIS A 19 -5.940 -2.633 0.388 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.837 -3.030 -0.926 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.270 -2.544 0.650 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.078 -3.168 -1.412 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.984 -2.884 -0.496 1.00 0.00 N ATOM 0 H HIS A 19 -2.965 -1.424 -0.196 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.214 -0.274 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.924 -2.984 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.007 -2.692 2.291 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.970 -3.191 -1.439 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.704 -2.256 1.596 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.307 -3.472 -2.423 1.00 0.00 H new ATOM 282 N LEU A 20 -2.315 -0.738 2.647 1.00 0.00 N ATOM 283 CA LEU A 20 -1.534 -0.472 3.848 1.00 0.00 C ATOM 284 C LEU A 20 -1.554 1.014 4.195 1.00 0.00 C ATOM 285 O LEU A 20 -1.956 1.400 5.293 1.00 0.00 O ATOM 286 CB LEU A 20 -0.091 -0.944 3.658 1.00 0.00 C ATOM 287 CG LEU A 20 0.165 -2.406 4.027 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.201 -3.018 3.096 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.615 -2.518 5.476 1.00 0.00 C ATOM 0 H LEU A 20 -1.763 -1.037 1.843 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.985 -1.024 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.190 -0.793 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.564 -0.313 4.259 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.767 -2.959 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.370 -4.058 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.840 -2.971 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.136 -2.464 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.793 -3.565 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.535 -1.951 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.160 -2.118 6.130 1.00 0.00 H new ATOM 301 N LEU A 21 -1.117 1.842 3.252 1.00 0.00 N ATOM 302 CA LEU A 21 -1.084 3.286 3.458 1.00 0.00 C ATOM 303 C LEU A 21 -2.489 3.841 3.668 1.00 0.00 C ATOM 304 O LEU A 21 -2.674 4.843 4.358 1.00 0.00 O ATOM 305 CB LEU A 21 -0.424 3.978 2.265 1.00 0.00 C ATOM 306 CG LEU A 21 0.937 3.410 1.857 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.189 3.639 0.375 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.046 4.034 2.691 1.00 0.00 C ATOM 0 H LEU A 21 -0.781 1.538 2.338 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.498 3.484 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.097 3.915 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.304 5.036 2.499 1.00 0.00 H new ATOM 0 HG LEU A 21 0.931 2.336 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.162 3.228 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.411 3.145 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.175 4.708 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.007 3.619 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.053 5.113 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.874 3.818 3.745 1.00 0.00 H new ATOM 320 N ALA A 22 -3.478 3.183 3.069 1.00 0.00 N ATOM 321 CA ALA A 22 -4.866 3.613 3.191 1.00 0.00 C ATOM 322 C ALA A 22 -5.298 3.676 4.652 1.00 0.00 C ATOM 323 O ALA A 22 -6.155 4.477 5.022 1.00 0.00 O ATOM 324 CB ALA A 22 -5.777 2.677 2.411 1.00 0.00 C ATOM 0 H ALA A 22 -3.343 2.351 2.495 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.947 4.617 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.810 3.009 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.492 2.686 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.682 1.665 2.804 1.00 0.00 H new ATOM 330 N LEU A 23 -4.697 2.826 5.479 1.00 0.00 N ATOM 331 CA LEU A 23 -5.021 2.786 6.901 1.00 0.00 C ATOM 332 C LEU A 23 -4.302 3.902 7.653 1.00 0.00 C ATOM 333 O LEU A 23 -4.932 4.842 8.138 1.00 0.00 O ATOM 334 CB LEU A 23 -4.640 1.429 7.494 1.00 0.00 C ATOM 335 CG LEU A 23 -5.632 0.299 7.213 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.169 -0.993 7.867 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.022 0.678 7.701 1.00 0.00 C ATOM 0 H LEU A 23 -3.984 2.157 5.189 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.096 2.933 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.664 1.140 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.533 1.538 8.573 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.677 0.140 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.887 -1.785 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.193 -1.273 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.094 -0.849 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.715 -0.137 7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.992 0.865 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.356 1.579 7.185 1.00 0.00 H new ATOM 349 N ARG A 24 -2.982 3.790 7.748 1.00 0.00 N ATOM 350 CA ARG A 24 -2.178 4.789 8.443 1.00 0.00 C ATOM 351 C ARG A 24 -0.830 4.980 7.753 1.00 0.00 C ATOM 352 O ARG A 24 -0.359 4.096 7.035 1.00 0.00 O ATOM 353 CB ARG A 24 -1.965 4.378 9.901 1.00 0.00 C ATOM 354 CG ARG A 24 -1.338 3.001 10.058 1.00 0.00 C ATOM 355 CD ARG A 24 -1.107 2.660 11.522 1.00 0.00 C ATOM 356 NE ARG A 24 -0.237 1.497 11.682 1.00 0.00 N ATOM 357 CZ ARG A 24 -0.158 0.779 12.799 1.00 0.00 C ATOM 358 NH1 ARG A 24 -0.895 1.098 13.856 1.00 0.00 N ATOM 359 NH2 ARG A 24 0.659 -0.265 12.860 1.00 0.00 N ATOM 0 H ARG A 24 -2.446 3.018 7.353 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.717 5.736 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.328 5.116 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.924 4.393 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.987 2.251 9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.390 2.968 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.663 3.517 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.065 2.465 12.005 1.00 0.00 H new ATOM 0 HE ARG A 24 0.344 1.219 10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.527 1.898 13.815 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.830 0.543 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.226 -0.517 12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.720 -0.816 13.716 1.00 0.00 H new ATOM 373 N PRO A 25 -0.186 6.141 7.962 1.00 0.00 N ATOM 374 CA PRO A 25 1.115 6.444 7.357 1.00 0.00 C ATOM 375 C PRO A 25 2.149 5.360 7.641 1.00 0.00 C ATOM 376 O PRO A 25 2.424 5.040 8.798 1.00 0.00 O ATOM 377 CB PRO A 25 1.524 7.760 8.022 1.00 0.00 C ATOM 378 CG PRO A 25 0.240 8.386 8.449 1.00 0.00 C ATOM 379 CD PRO A 25 -0.676 7.249 8.804 1.00 0.00 C ATOM 0 HA PRO A 25 1.054 6.504 6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.181 7.585 8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.066 8.402 7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.392 9.046 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.183 8.993 7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.620 7.003 9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.717 7.489 8.587 1.00 0.00 H new ATOM 387 N TYR A 26 2.721 4.799 6.581 1.00 0.00 N ATOM 388 CA TYR A 26 3.725 3.750 6.718 1.00 0.00 C ATOM 389 C TYR A 26 5.064 4.201 6.144 1.00 0.00 C ATOM 390 O TYR A 26 5.130 4.721 5.029 1.00 0.00 O ATOM 391 CB TYR A 26 3.260 2.474 6.015 1.00 0.00 C ATOM 392 CG TYR A 26 2.469 1.545 6.908 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.082 0.869 7.956 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.110 1.345 6.704 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.363 0.019 8.774 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.384 0.496 7.517 1.00 0.00 C ATOM 397 CZ TYR A 26 1.015 -0.164 8.551 1.00 0.00 C ATOM 398 OH TYR A 26 0.295 -1.010 9.363 1.00 0.00 O ATOM 0 H TYR A 26 2.506 5.053 5.617 1.00 0.00 H new ATOM 0 HA TYR A 26 3.856 3.544 7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.648 2.745 5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.131 1.942 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.138 1.010 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.612 1.862 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.854 -0.499 9.584 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.672 0.350 7.344 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.641 -1.026 9.071 1.00 0.00 H new ATOM 408 N ARG A 27 6.130 3.996 6.910 1.00 0.00 N ATOM 409 CA ARG A 27 7.468 4.381 6.477 1.00 0.00 C ATOM 410 C ARG A 27 8.029 3.370 5.483 1.00 0.00 C ATOM 411 O ARG A 27 7.388 2.367 5.173 1.00 0.00 O ATOM 412 CB ARG A 27 8.403 4.501 7.682 1.00 0.00 C ATOM 413 CG ARG A 27 7.978 5.569 8.678 1.00 0.00 C ATOM 414 CD ARG A 27 7.331 4.959 9.912 1.00 0.00 C ATOM 415 NE ARG A 27 6.942 5.976 10.886 1.00 0.00 N ATOM 416 CZ ARG A 27 6.621 5.709 12.150 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.643 4.460 12.597 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.279 6.694 12.969 1.00 0.00 N ATOM 0 H ARG A 27 6.093 3.565 7.834 1.00 0.00 H new ATOM 0 HA ARG A 27 7.398 5.350 5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.450 3.539 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.410 4.725 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.847 6.157 8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.278 6.254 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.452 4.387 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.025 4.259 10.377 1.00 0.00 H new ATOM 0 HE ARG A 27 6.915 6.948 10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.907 3.699 11.971 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.396 4.261 13.566 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.262 7.656 12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.033 6.490 13.938 1.00 0.00 H new ATOM 432 N LYS A 28 9.232 3.643 4.985 1.00 0.00 N ATOM 433 CA LYS A 28 9.880 2.758 4.024 1.00 0.00 C ATOM 434 C LYS A 28 10.386 1.491 4.709 1.00 0.00 C ATOM 435 O LYS A 28 10.387 0.412 4.117 1.00 0.00 O ATOM 436 CB LYS A 28 11.040 3.481 3.336 1.00 0.00 C ATOM 437 CG LYS A 28 10.720 3.937 1.922 1.00 0.00 C ATOM 438 CD LYS A 28 11.218 2.938 0.889 1.00 0.00 C ATOM 439 CE LYS A 28 12.678 3.178 0.540 1.00 0.00 C ATOM 440 NZ LYS A 28 13.584 2.826 1.667 1.00 0.00 N ATOM 0 H LYS A 28 9.777 4.469 5.231 1.00 0.00 H new ATOM 0 HA LYS A 28 9.143 2.473 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.322 4.348 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.905 2.818 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.643 4.066 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.178 4.909 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.096 1.925 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.610 3.012 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.943 2.587 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.820 4.225 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.561 2.758 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.528 3.562 2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.296 1.912 2.071 1.00 0.00 H new ATOM 454 N ALA A 29 10.816 1.632 5.958 1.00 0.00 N ATOM 455 CA ALA A 29 11.324 0.500 6.723 1.00 0.00 C ATOM 456 C ALA A 29 10.191 -0.244 7.421 1.00 0.00 C ATOM 457 O ALA A 29 10.260 -1.457 7.618 1.00 0.00 O ATOM 458 CB ALA A 29 12.355 0.970 7.740 1.00 0.00 C ATOM 0 H ALA A 29 10.823 2.519 6.462 1.00 0.00 H new ATOM 0 HA ALA A 29 11.803 -0.190 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.726 0.114 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.185 1.450 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.893 1.683 8.423 1.00 0.00 H new ATOM 464 N GLU A 30 9.148 0.491 7.793 1.00 0.00 N ATOM 465 CA GLU A 30 8.000 -0.100 8.469 1.00 0.00 C ATOM 466 C GLU A 30 7.149 -0.908 7.494 1.00 0.00 C ATOM 467 O GLU A 30 6.705 -2.013 7.809 1.00 0.00 O ATOM 468 CB GLU A 30 7.150 0.992 9.124 1.00 0.00 C ATOM 469 CG GLU A 30 7.486 1.228 10.587 1.00 0.00 C ATOM 470 CD GLU A 30 8.918 1.683 10.790 1.00 0.00 C ATOM 471 OE1 GLU A 30 9.830 1.036 10.234 1.00 0.00 O ATOM 472 OE2 GLU A 30 9.127 2.684 11.507 1.00 0.00 O ATOM 0 H GLU A 30 9.075 1.496 7.638 1.00 0.00 H new ATOM 0 HA GLU A 30 8.372 -0.774 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.284 1.924 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.098 0.721 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.809 1.978 10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.318 0.308 11.148 1.00 0.00 H new ATOM 479 N LEU A 31 6.925 -0.350 6.309 1.00 0.00 N ATOM 480 CA LEU A 31 6.129 -1.019 5.287 1.00 0.00 C ATOM 481 C LEU A 31 6.868 -2.228 4.724 1.00 0.00 C ATOM 482 O LEU A 31 6.258 -3.251 4.411 1.00 0.00 O ATOM 483 CB LEU A 31 5.788 -0.044 4.158 1.00 0.00 C ATOM 484 CG LEU A 31 4.709 -0.527 3.188 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.325 -0.326 3.786 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.828 0.198 1.856 1.00 0.00 C ATOM 0 H LEU A 31 7.284 0.564 6.033 1.00 0.00 H new ATOM 0 HA LEU A 31 5.206 -1.365 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.463 0.899 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.696 0.165 3.592 1.00 0.00 H new ATOM 0 HG LEU A 31 4.854 -1.593 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.570 -0.675 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.244 -0.891 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.168 0.733 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.053 -0.158 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.709 1.270 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.808 0.002 1.421 1.00 0.00 H new ATOM 498 N LEU A 32 8.185 -2.103 4.597 1.00 0.00 N ATOM 499 CA LEU A 32 9.008 -3.187 4.070 1.00 0.00 C ATOM 500 C LEU A 32 8.888 -4.433 4.941 1.00 0.00 C ATOM 501 O LEU A 32 8.670 -5.535 4.438 1.00 0.00 O ATOM 502 CB LEU A 32 10.471 -2.748 3.985 1.00 0.00 C ATOM 503 CG LEU A 32 10.843 -1.978 2.716 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.218 -1.345 2.858 1.00 0.00 C ATOM 505 CD2 LEU A 32 10.800 -2.898 1.505 1.00 0.00 C ATOM 0 H LEU A 32 8.705 -1.263 4.851 1.00 0.00 H new ATOM 0 HA LEU A 32 8.650 -3.430 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.698 -2.125 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.105 -3.632 4.054 1.00 0.00 H new ATOM 0 HG LEU A 32 10.114 -1.181 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.465 -0.802 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.215 -0.655 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.961 -2.124 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.067 -2.335 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.507 -3.716 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.795 -3.304 1.392 1.00 0.00 H new ATOM 517 N LEU A 33 9.033 -4.252 6.250 1.00 0.00 N ATOM 518 CA LEU A 33 8.942 -5.364 7.189 1.00 0.00 C ATOM 519 C LEU A 33 7.571 -6.029 7.112 1.00 0.00 C ATOM 520 O LEU A 33 7.446 -7.239 7.296 1.00 0.00 O ATOM 521 CB LEU A 33 9.206 -4.876 8.616 1.00 0.00 C ATOM 522 CG LEU A 33 10.682 -4.730 8.986 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.848 -3.765 10.149 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.281 -6.086 9.327 1.00 0.00 C ATOM 0 H LEU A 33 9.214 -3.347 6.684 1.00 0.00 H new ATOM 0 HA LEU A 33 9.699 -6.100 6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.716 -3.912 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.739 -5.571 9.314 1.00 0.00 H new ATOM 0 HG LEU A 33 11.215 -4.324 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.905 -3.674 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.456 -2.787 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.302 -4.141 11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.332 -5.964 9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.745 -6.518 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.196 -6.748 8.466 1.00 0.00 H new ATOM 536 N ARG A 34 6.545 -5.229 6.838 1.00 0.00 N ATOM 537 CA ARG A 34 5.183 -5.739 6.735 1.00 0.00 C ATOM 538 C ARG A 34 5.030 -6.633 5.509 1.00 0.00 C ATOM 539 O ARG A 34 4.556 -7.765 5.607 1.00 0.00 O ATOM 540 CB ARG A 34 4.185 -4.581 6.668 1.00 0.00 C ATOM 541 CG ARG A 34 3.008 -4.733 7.620 1.00 0.00 C ATOM 542 CD ARG A 34 2.280 -6.052 7.409 1.00 0.00 C ATOM 543 NE ARG A 34 0.959 -5.859 6.814 1.00 0.00 N ATOM 544 CZ ARG A 34 0.737 -5.775 5.503 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.744 -5.863 4.642 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.498 -5.600 5.052 1.00 0.00 N ATOM 0 H ARG A 34 6.632 -4.225 6.683 1.00 0.00 H new ATOM 0 HA ARG A 34 4.975 -6.334 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.706 -3.650 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.808 -4.496 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.362 -4.674 8.649 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.313 -3.906 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.877 -6.697 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.176 -6.565 8.365 1.00 0.00 H new ATOM 0 HE ARG A 34 0.158 -5.784 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.696 -5.996 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.565 -5.798 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.276 -5.530 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.670 -5.535 4.049 1.00 0.00 H new ATOM 560 N LEU A 35 5.434 -6.115 4.353 1.00 0.00 N ATOM 561 CA LEU A 35 5.342 -6.864 3.106 1.00 0.00 C ATOM 562 C LEU A 35 6.227 -8.106 3.149 1.00 0.00 C ATOM 563 O LEU A 35 5.913 -9.126 2.536 1.00 0.00 O ATOM 564 CB LEU A 35 5.744 -5.978 1.925 1.00 0.00 C ATOM 565 CG LEU A 35 5.045 -4.618 1.871 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.979 -3.560 1.303 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.772 -4.708 1.042 1.00 0.00 C ATOM 0 H LEU A 35 5.828 -5.179 4.255 1.00 0.00 H new ATOM 0 HA LEU A 35 4.307 -7.182 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.821 -5.815 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.535 -6.515 1.000 1.00 0.00 H new ATOM 0 HG LEU A 35 4.776 -4.328 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.465 -2.599 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.863 -3.478 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.279 -3.843 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.287 -3.732 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.020 -5.020 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.096 -5.436 1.491 1.00 0.00 H new ATOM 579 N GLN A 36 7.335 -8.012 3.878 1.00 0.00 N ATOM 580 CA GLN A 36 8.264 -9.128 4.002 1.00 0.00 C ATOM 581 C GLN A 36 7.582 -10.337 4.634 1.00 0.00 C ATOM 582 O GLN A 36 7.915 -11.481 4.325 1.00 0.00 O ATOM 583 CB GLN A 36 9.480 -8.716 4.836 1.00 0.00 C ATOM 584 CG GLN A 36 10.686 -8.318 3.999 1.00 0.00 C ATOM 585 CD GLN A 36 11.893 -9.197 4.258 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.691 -8.928 5.156 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.034 -10.257 3.469 1.00 0.00 N ATOM 0 H GLN A 36 7.610 -7.175 4.391 1.00 0.00 H new ATOM 0 HA GLN A 36 8.596 -9.405 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.203 -7.881 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.759 -9.543 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.423 -8.371 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.945 -7.281 4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.349 -10.442 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.828 -10.885 3.596 1.00 0.00 H new ATOM 596 N LYS A 37 6.628 -10.075 5.522 1.00 0.00 N ATOM 597 CA LYS A 37 5.900 -11.142 6.198 1.00 0.00 C ATOM 598 C LYS A 37 5.050 -11.933 5.209 1.00 0.00 C ATOM 599 O LYS A 37 4.929 -13.153 5.316 1.00 0.00 O ATOM 600 CB LYS A 37 5.012 -10.563 7.301 1.00 0.00 C ATOM 601 CG LYS A 37 5.789 -10.085 8.517 1.00 0.00 C ATOM 602 CD LYS A 37 4.881 -9.389 9.518 1.00 0.00 C ATOM 603 CE LYS A 37 4.400 -10.347 10.595 1.00 0.00 C ATOM 604 NZ LYS A 37 3.338 -11.261 10.091 1.00 0.00 N ATOM 0 H LYS A 37 6.342 -9.133 5.790 1.00 0.00 H new ATOM 0 HA LYS A 37 6.629 -11.818 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.439 -9.729 6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.294 -11.321 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.277 -10.934 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.577 -9.401 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.416 -8.559 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.022 -8.964 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.242 -10.935 10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.017 -9.778 11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.784 -11.625 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.711 -10.741 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.776 -12.056 9.584 1.00 0.00 H new ATOM 618 N ASP A 38 4.464 -11.229 4.245 1.00 0.00 N ATOM 619 CA ASP A 38 3.626 -11.866 3.236 1.00 0.00 C ATOM 620 C ASP A 38 4.465 -12.363 2.065 1.00 0.00 C ATOM 621 O ASP A 38 4.361 -13.522 1.660 1.00 0.00 O ATOM 622 CB ASP A 38 2.561 -10.887 2.736 1.00 0.00 C ATOM 623 CG ASP A 38 1.676 -10.374 3.855 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.620 -11.030 4.916 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.040 -9.316 3.671 1.00 0.00 O ATOM 0 H ASP A 38 4.554 -10.218 4.142 1.00 0.00 H new ATOM 0 HA ASP A 38 3.135 -12.723 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.048 -10.044 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.943 -11.379 1.985 1.00 0.00 H new ATOM 630 N GLY A 39 5.299 -11.481 1.523 1.00 0.00 N ATOM 631 CA GLY A 39 6.145 -11.849 0.404 1.00 0.00 C ATOM 632 C GLY A 39 6.783 -10.646 -0.262 1.00 0.00 C ATOM 633 O GLY A 39 6.133 -9.935 -1.028 1.00 0.00 O ATOM 0 H GLY A 39 5.404 -10.517 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.926 -12.525 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.553 -12.395 -0.330 1.00 0.00 H new ATOM 637 N LEU A 40 8.058 -10.416 0.031 1.00 0.00 N ATOM 638 CA LEU A 40 8.784 -9.290 -0.545 1.00 0.00 C ATOM 639 C LEU A 40 10.222 -9.679 -0.872 1.00 0.00 C ATOM 640 O LEU A 40 10.838 -10.472 -0.161 1.00 0.00 O ATOM 641 CB LEU A 40 8.772 -8.101 0.420 1.00 0.00 C ATOM 642 CG LEU A 40 9.488 -6.849 -0.087 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.524 -5.955 -0.851 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.117 -6.090 1.072 1.00 0.00 C ATOM 0 H LEU A 40 8.610 -10.994 0.664 1.00 0.00 H new ATOM 0 HA LEU A 40 8.285 -9.004 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.736 -7.844 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.233 -8.410 1.358 1.00 0.00 H new ATOM 0 HG LEU A 40 10.281 -7.157 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.052 -5.069 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.120 -6.501 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.708 -5.654 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.623 -5.202 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.340 -5.793 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.839 -6.731 1.577 1.00 0.00 H new ATOM 656 N THR A 41 10.750 -9.116 -1.954 1.00 0.00 N ATOM 657 CA THR A 41 12.116 -9.404 -2.376 1.00 0.00 C ATOM 658 C THR A 41 12.851 -8.122 -2.754 1.00 0.00 C ATOM 659 O THR A 41 12.357 -7.019 -2.520 1.00 0.00 O ATOM 660 CB THR A 41 12.113 -10.372 -3.560 1.00 0.00 C ATOM 661 OG1 THR A 41 11.699 -9.715 -4.743 1.00 0.00 O ATOM 662 CG2 THR A 41 11.204 -11.565 -3.355 1.00 0.00 C ATOM 0 H THR A 41 10.253 -8.458 -2.554 1.00 0.00 H new ATOM 0 HA THR A 41 12.638 -9.867 -1.539 1.00 0.00 H new ATOM 0 HB THR A 41 13.140 -10.728 -3.645 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.705 -10.350 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.249 -12.211 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.528 -12.122 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.180 -11.221 -3.210 1.00 0.00 H new ATOM 670 N GLN A 42 14.033 -8.275 -3.342 1.00 0.00 N ATOM 671 CA GLN A 42 14.837 -7.129 -3.754 1.00 0.00 C ATOM 672 C GLN A 42 14.094 -6.287 -4.786 1.00 0.00 C ATOM 673 O GLN A 42 14.144 -5.059 -4.752 1.00 0.00 O ATOM 674 CB GLN A 42 16.177 -7.599 -4.324 1.00 0.00 C ATOM 675 CG GLN A 42 17.327 -7.501 -3.337 1.00 0.00 C ATOM 676 CD GLN A 42 17.963 -6.124 -3.319 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.084 -5.470 -4.354 1.00 0.00 O ATOM 678 NE2 GLN A 42 18.373 -5.676 -2.137 1.00 0.00 N ATOM 0 H GLN A 42 14.456 -9.181 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 42 15.023 -6.510 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.079 -8.634 -4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.415 -7.005 -5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.965 -7.743 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.083 -8.244 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 42 18.253 -6.252 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.808 -4.756 -2.063 1.00 0.00 H new ATOM 687 N ALA A 43 13.406 -6.958 -5.705 1.00 0.00 N ATOM 688 CA ALA A 43 12.653 -6.271 -6.747 1.00 0.00 C ATOM 689 C ALA A 43 11.589 -5.359 -6.146 1.00 0.00 C ATOM 690 O ALA A 43 11.596 -4.149 -6.372 1.00 0.00 O ATOM 691 CB ALA A 43 12.014 -7.282 -7.688 1.00 0.00 C ATOM 0 H ALA A 43 13.355 -7.976 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 43 13.347 -5.650 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.455 -6.756 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.791 -7.889 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.338 -7.926 -7.126 1.00 0.00 H new ATOM 697 N ASP A 44 10.677 -5.948 -5.379 1.00 0.00 N ATOM 698 CA ASP A 44 9.606 -5.188 -4.745 1.00 0.00 C ATOM 699 C ASP A 44 10.172 -4.120 -3.814 1.00 0.00 C ATOM 700 O ASP A 44 9.556 -3.074 -3.606 1.00 0.00 O ATOM 701 CB ASP A 44 8.682 -6.124 -3.965 1.00 0.00 C ATOM 702 CG ASP A 44 8.097 -7.218 -4.835 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.680 -6.913 -5.973 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.058 -8.381 -4.381 1.00 0.00 O ATOM 0 H ASP A 44 10.658 -6.949 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 44 9.033 -4.693 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.237 -6.576 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.872 -5.544 -3.522 1.00 0.00 H new ATOM 709 N LYS A 45 11.347 -4.391 -3.254 1.00 0.00 N ATOM 710 CA LYS A 45 11.995 -3.452 -2.345 1.00 0.00 C ATOM 711 C LYS A 45 12.234 -2.108 -3.026 1.00 0.00 C ATOM 712 O LYS A 45 11.655 -1.093 -2.639 1.00 0.00 O ATOM 713 CB LYS A 45 13.322 -4.030 -1.844 1.00 0.00 C ATOM 714 CG LYS A 45 13.265 -4.530 -0.411 1.00 0.00 C ATOM 715 CD LYS A 45 14.657 -4.693 0.179 1.00 0.00 C ATOM 716 CE LYS A 45 15.192 -3.378 0.724 1.00 0.00 C ATOM 717 NZ LYS A 45 15.726 -3.524 2.106 1.00 0.00 N ATOM 0 H LYS A 45 11.869 -5.252 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 45 11.332 -3.292 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.620 -4.852 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.095 -3.265 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.691 -3.831 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.741 -5.485 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.630 -5.434 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.335 -5.073 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.980 -3.007 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.396 -2.633 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.081 -2.605 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.968 -3.853 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.503 -4.216 2.107 1.00 0.00 H new ATOM 731 N ASP A 46 13.089 -2.110 -4.044 1.00 0.00 N ATOM 732 CA ASP A 46 13.404 -0.891 -4.780 1.00 0.00 C ATOM 733 C ASP A 46 12.150 -0.301 -5.418 1.00 0.00 C ATOM 734 O ASP A 46 11.942 0.913 -5.397 1.00 0.00 O ATOM 735 CB ASP A 46 14.455 -1.178 -5.856 1.00 0.00 C ATOM 736 CG ASP A 46 15.772 -0.481 -5.578 1.00 0.00 C ATOM 737 OD1 ASP A 46 16.127 -0.332 -4.389 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.450 -0.084 -6.549 1.00 0.00 O ATOM 0 H ASP A 46 13.576 -2.942 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 46 13.806 -0.163 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.622 -2.253 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.075 -0.857 -6.826 1.00 0.00 H new ATOM 743 N ALA A 47 11.316 -1.167 -5.983 1.00 0.00 N ATOM 744 CA ALA A 47 10.083 -0.731 -6.627 1.00 0.00 C ATOM 745 C ALA A 47 9.174 -0.005 -5.641 1.00 0.00 C ATOM 746 O ALA A 47 8.409 0.881 -6.023 1.00 0.00 O ATOM 747 CB ALA A 47 9.358 -1.922 -7.240 1.00 0.00 C ATOM 0 H ALA A 47 11.471 -2.175 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 47 10.345 -0.031 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.439 -1.582 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.000 -2.395 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.116 -2.642 -6.458 1.00 0.00 H new ATOM 753 N LEU A 48 9.263 -0.385 -4.370 1.00 0.00 N ATOM 754 CA LEU A 48 8.447 0.230 -3.329 1.00 0.00 C ATOM 755 C LEU A 48 8.712 1.730 -3.244 1.00 0.00 C ATOM 756 O LEU A 48 7.791 2.525 -3.056 1.00 0.00 O ATOM 757 CB LEU A 48 8.729 -0.426 -1.976 1.00 0.00 C ATOM 758 CG LEU A 48 7.676 -0.166 -0.897 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.403 -0.943 -1.197 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.217 -0.535 0.475 1.00 0.00 C ATOM 0 H LEU A 48 9.892 -1.116 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 48 7.399 0.078 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.818 -1.502 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.694 -0.073 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 48 7.437 0.898 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.665 -0.746 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.005 -0.631 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.626 -2.010 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.455 -0.344 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.484 -1.592 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.101 0.065 0.691 1.00 0.00 H new ATOM 772 N ASP A 49 9.977 2.111 -3.384 1.00 0.00 N ATOM 773 CA ASP A 49 10.364 3.515 -3.323 1.00 0.00 C ATOM 774 C ASP A 49 9.699 4.314 -4.440 1.00 0.00 C ATOM 775 O ASP A 49 9.121 5.373 -4.200 1.00 0.00 O ATOM 776 CB ASP A 49 11.885 3.653 -3.420 1.00 0.00 C ATOM 777 CG ASP A 49 12.387 4.956 -2.830 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.754 6.003 -3.082 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.412 4.930 -2.118 1.00 0.00 O ATOM 0 H ASP A 49 10.752 1.467 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 49 10.029 3.915 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.356 2.818 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.187 3.591 -4.466 1.00 0.00 H new ATOM 784 N GLY A 50 9.785 3.796 -5.662 1.00 0.00 N ATOM 785 CA GLY A 50 9.187 4.474 -6.797 1.00 0.00 C ATOM 786 C GLY A 50 7.673 4.384 -6.796 1.00 0.00 C ATOM 787 O GLY A 50 6.991 5.305 -7.242 1.00 0.00 O ATOM 0 H GLY A 50 10.258 2.920 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.485 5.522 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.573 4.040 -7.720 1.00 0.00 H new ATOM 791 N LEU A 51 7.149 3.271 -6.294 1.00 0.00 N ATOM 792 CA LEU A 51 5.706 3.063 -6.237 1.00 0.00 C ATOM 793 C LEU A 51 5.060 4.003 -5.225 1.00 0.00 C ATOM 794 O LEU A 51 4.037 4.626 -5.505 1.00 0.00 O ATOM 795 CB LEU A 51 5.392 1.611 -5.875 1.00 0.00 C ATOM 796 CG LEU A 51 4.027 1.106 -6.353 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.181 0.248 -7.598 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.329 0.325 -5.249 1.00 0.00 C ATOM 0 H LEU A 51 7.701 2.499 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 51 5.294 3.281 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.167 0.971 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.444 1.503 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 51 3.411 1.969 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.201 -0.101 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.637 0.838 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.816 -0.609 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.361 -0.026 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.942 -0.530 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.183 0.971 -4.383 1.00 0.00 H new ATOM 810 N LEU A 52 5.665 4.099 -4.045 1.00 0.00 N ATOM 811 CA LEU A 52 5.148 4.963 -2.989 1.00 0.00 C ATOM 812 C LEU A 52 5.094 6.416 -3.451 1.00 0.00 C ATOM 813 O LEU A 52 4.160 7.148 -3.122 1.00 0.00 O ATOM 814 CB LEU A 52 6.017 4.847 -1.735 1.00 0.00 C ATOM 815 CG LEU A 52 5.849 3.546 -0.949 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.067 3.289 -0.076 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.585 3.595 -0.103 1.00 0.00 C ATOM 0 H LEU A 52 6.513 3.590 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 52 4.135 4.638 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.063 4.945 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.790 5.684 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 52 5.756 2.724 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.929 2.359 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.955 3.211 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.191 4.113 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.481 2.661 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.649 4.427 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.719 3.732 -0.750 1.00 0.00 H new ATOM 829 N GLN A 53 6.101 6.827 -4.214 1.00 0.00 N ATOM 830 CA GLN A 53 6.168 8.193 -4.720 1.00 0.00 C ATOM 831 C GLN A 53 5.014 8.481 -5.676 1.00 0.00 C ATOM 832 O GLN A 53 4.582 9.626 -5.814 1.00 0.00 O ATOM 833 CB GLN A 53 7.504 8.431 -5.428 1.00 0.00 C ATOM 834 CG GLN A 53 8.702 8.390 -4.494 1.00 0.00 C ATOM 835 CD GLN A 53 8.900 9.692 -3.743 1.00 0.00 C ATOM 836 OE1 GLN A 53 7.947 10.274 -3.225 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.142 10.157 -3.681 1.00 0.00 N ATOM 0 H GLN A 53 6.882 6.234 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 53 6.087 8.871 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.633 7.678 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.475 9.400 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.573 7.578 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.600 8.167 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.902 9.642 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.336 11.029 -3.189 1.00 0.00 H new ATOM 846 N GLN A 54 4.521 7.439 -6.337 1.00 0.00 N ATOM 847 CA GLN A 54 3.420 7.585 -7.281 1.00 0.00 C ATOM 848 C GLN A 54 2.076 7.356 -6.596 1.00 0.00 C ATOM 849 O GLN A 54 1.160 8.171 -6.718 1.00 0.00 O ATOM 850 CB GLN A 54 3.587 6.604 -8.444 1.00 0.00 C ATOM 851 CG GLN A 54 4.155 7.243 -9.701 1.00 0.00 C ATOM 852 CD GLN A 54 3.136 8.094 -10.434 1.00 0.00 C ATOM 853 OE1 GLN A 54 3.098 9.314 -10.274 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.303 7.452 -11.244 1.00 0.00 N ATOM 0 H GLN A 54 4.867 6.485 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 54 3.439 8.604 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.242 5.791 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.619 6.161 -8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.014 7.860 -9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.518 6.462 -10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.370 6.439 -11.346 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.596 7.971 -11.764 1.00 0.00 H new ATOM 863 N VAL A 55 1.962 6.244 -5.878 1.00 0.00 N ATOM 864 CA VAL A 55 0.728 5.910 -5.176 1.00 0.00 C ATOM 865 C VAL A 55 0.799 6.313 -3.706 1.00 0.00 C ATOM 866 O VAL A 55 0.177 5.684 -2.850 1.00 0.00 O ATOM 867 CB VAL A 55 0.421 4.404 -5.268 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.068 4.016 -6.695 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.601 3.587 -4.763 1.00 0.00 C ATOM 0 H VAL A 55 2.709 5.559 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.071 6.469 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.439 4.189 -4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.146 2.948 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.810 4.575 -7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.906 4.246 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.366 2.525 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.481 3.806 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.803 3.844 -3.723 1.00 0.00 H new ATOM 879 N ALA A 56 1.559 7.365 -3.420 1.00 0.00 N ATOM 880 CA ALA A 56 1.708 7.851 -2.053 1.00 0.00 C ATOM 881 C ALA A 56 2.591 9.093 -2.003 1.00 0.00 C ATOM 882 O ALA A 56 3.206 9.470 -3.000 1.00 0.00 O ATOM 883 CB ALA A 56 2.282 6.758 -1.163 1.00 0.00 C ATOM 0 H ALA A 56 2.081 7.897 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 56 0.720 8.125 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.388 7.135 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.611 5.899 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.259 6.456 -1.541 1.00 0.00 H new ATOM 889 N ASN A 57 2.651 9.723 -0.834 1.00 0.00 N ATOM 890 CA ASN A 57 3.460 10.922 -0.650 1.00 0.00 C ATOM 891 C ASN A 57 4.498 10.710 0.447 1.00 0.00 C ATOM 892 O ASN A 57 4.627 9.613 0.988 1.00 0.00 O ATOM 893 CB ASN A 57 2.569 12.116 -0.303 1.00 0.00 C ATOM 894 CG ASN A 57 2.141 12.894 -1.532 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.577 14.026 -1.749 1.00 0.00 O ATOM 896 ND2 ASN A 57 1.282 12.290 -2.346 1.00 0.00 N ATOM 0 H ASN A 57 2.148 9.422 0.001 1.00 0.00 H new ATOM 0 HA ASN A 57 3.981 11.128 -1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.684 11.764 0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.104 12.780 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.958 12.765 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.946 11.352 -2.128 1.00 0.00 H new ATOM 903 N MET A 58 5.235 11.767 0.773 1.00 0.00 N ATOM 904 CA MET A 58 6.260 11.694 1.807 1.00 0.00 C ATOM 905 C MET A 58 6.068 12.796 2.844 1.00 0.00 C ATOM 906 O MET A 58 5.942 13.972 2.500 1.00 0.00 O ATOM 907 CB MET A 58 7.654 11.797 1.182 1.00 0.00 C ATOM 908 CG MET A 58 8.596 10.683 1.609 1.00 0.00 C ATOM 909 SD MET A 58 9.624 10.082 0.255 1.00 0.00 S ATOM 910 CE MET A 58 9.853 8.373 0.738 1.00 0.00 C ATOM 0 H MET A 58 5.141 12.684 0.336 1.00 0.00 H new ATOM 0 HA MET A 58 6.167 10.731 2.309 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.558 11.784 0.096 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.094 12.757 1.452 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.237 11.043 2.414 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.013 9.855 2.012 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.725 7.964 0.227 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.004 8.317 1.816 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.969 7.796 0.465 1.00 0.00 H new ATOM 920 N SER A 59 6.045 12.408 4.115 1.00 0.00 N ATOM 921 CA SER A 59 5.867 13.362 5.204 1.00 0.00 C ATOM 922 C SER A 59 6.972 14.415 5.195 1.00 0.00 C ATOM 923 O SER A 59 6.774 15.538 5.658 1.00 0.00 O ATOM 924 CB SER A 59 5.853 12.634 6.550 1.00 0.00 C ATOM 925 OG SER A 59 4.916 13.220 7.437 1.00 0.00 O ATOM 0 H SER A 59 6.147 11.439 4.416 1.00 0.00 H new ATOM 0 HA SER A 59 4.911 13.865 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.605 11.584 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.848 12.665 6.994 1.00 0.00 H new ATOM 0 HG SER A 59 4.925 12.736 8.289 1.00 0.00 H new ATOM 931 N ALA A 60 8.135 14.045 4.666 1.00 0.00 N ATOM 932 CA ALA A 60 9.269 14.959 4.597 1.00 0.00 C ATOM 933 C ALA A 60 9.746 15.345 5.993 1.00 0.00 C ATOM 934 O ALA A 60 10.204 16.466 6.216 1.00 0.00 O ATOM 935 CB ALA A 60 8.901 16.201 3.800 1.00 0.00 C ATOM 0 H ALA A 60 8.316 13.119 4.279 1.00 0.00 H new ATOM 0 HA ALA A 60 10.086 14.447 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.758 16.873 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.616 15.913 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.065 16.708 4.282 1.00 0.00 H new ATOM 941 N LYS A 61 9.636 14.409 6.931 1.00 0.00 N ATOM 942 CA LYS A 61 10.056 14.651 8.305 1.00 0.00 C ATOM 943 C LYS A 61 10.612 13.378 8.935 1.00 0.00 C ATOM 944 O LYS A 61 11.677 13.393 9.553 1.00 0.00 O ATOM 945 CB LYS A 61 8.883 15.175 9.137 1.00 0.00 C ATOM 946 CG LYS A 61 9.297 15.733 10.488 1.00 0.00 C ATOM 947 CD LYS A 61 8.355 16.833 10.948 1.00 0.00 C ATOM 948 CE LYS A 61 9.101 17.936 11.682 1.00 0.00 C ATOM 949 NZ LYS A 61 8.956 17.817 13.160 1.00 0.00 N ATOM 0 H LYS A 61 9.259 13.476 6.763 1.00 0.00 H new ATOM 0 HA LYS A 61 10.845 15.403 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.368 15.954 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.168 14.367 9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.309 14.931 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.312 16.124 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.837 17.254 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.593 16.410 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.158 17.898 11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.725 18.906 11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.479 18.587 13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.950 17.879 13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.338 16.902 13.474 1.00 0.00 H new ATOM 963 N ASP A 62 9.885 12.277 8.774 1.00 0.00 N ATOM 964 CA ASP A 62 10.306 10.995 9.327 1.00 0.00 C ATOM 965 C ASP A 62 10.300 9.907 8.256 1.00 0.00 C ATOM 966 O ASP A 62 10.159 8.723 8.561 1.00 0.00 O ATOM 967 CB ASP A 62 9.392 10.592 10.486 1.00 0.00 C ATOM 968 CG ASP A 62 10.171 10.092 11.688 1.00 0.00 C ATOM 969 OD1 ASP A 62 11.279 10.612 11.937 1.00 0.00 O ATOM 970 OD2 ASP A 62 9.671 9.181 12.380 1.00 0.00 O ATOM 0 H ASP A 62 9.002 12.247 8.265 1.00 0.00 H new ATOM 0 HA ASP A 62 11.325 11.106 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.784 11.447 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.706 9.814 10.151 1.00 0.00 H new ATOM 975 N GLY A 63 10.452 10.316 6.998 1.00 0.00 N ATOM 976 CA GLY A 63 10.461 9.363 5.904 1.00 0.00 C ATOM 977 C GLY A 63 9.210 8.504 5.867 1.00 0.00 C ATOM 978 O GLY A 63 9.235 7.384 5.358 1.00 0.00 O ATOM 0 H GLY A 63 10.569 11.290 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.556 9.900 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.336 8.720 5.995 1.00 0.00 H new ATOM 982 N THR A 64 8.116 9.030 6.407 1.00 0.00 N ATOM 983 CA THR A 64 6.852 8.304 6.433 1.00 0.00 C ATOM 984 C THR A 64 6.050 8.561 5.162 1.00 0.00 C ATOM 985 O THR A 64 5.969 9.693 4.686 1.00 0.00 O ATOM 986 CB THR A 64 6.032 8.709 7.658 1.00 0.00 C ATOM 987 OG1 THR A 64 6.878 9.137 8.710 1.00 0.00 O ATOM 988 CG2 THR A 64 5.162 7.592 8.193 1.00 0.00 C ATOM 0 H THR A 64 8.079 9.956 6.832 1.00 0.00 H new ATOM 0 HA THR A 64 7.075 7.239 6.490 1.00 0.00 H new ATOM 0 HB THR A 64 5.386 9.518 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.334 9.393 9.484 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.607 7.947 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.462 7.274 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.789 6.749 8.483 1.00 0.00 H new ATOM 996 N CYS A 65 5.462 7.502 4.615 1.00 0.00 N ATOM 997 CA CYS A 65 4.667 7.614 3.398 1.00 0.00 C ATOM 998 C CYS A 65 3.176 7.620 3.719 1.00 0.00 C ATOM 999 O CYS A 65 2.713 6.874 4.583 1.00 0.00 O ATOM 1000 CB CYS A 65 4.991 6.462 2.444 1.00 0.00 C ATOM 1001 SG CYS A 65 6.691 6.467 1.830 1.00 0.00 S ATOM 0 H CYS A 65 5.521 6.557 4.995 1.00 0.00 H new ATOM 0 HA CYS A 65 4.919 8.558 2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.804 5.518 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.309 6.505 1.595 1.00 0.00 H new ATOM 0 HG CYS A 65 7.309 5.405 2.254 1.00 0.00 H new ATOM 1007 N THR A 66 2.429 8.465 3.016 1.00 0.00 N ATOM 1008 CA THR A 66 0.990 8.568 3.225 1.00 0.00 C ATOM 1009 C THR A 66 0.238 8.443 1.904 1.00 0.00 C ATOM 1010 O THR A 66 0.693 8.935 0.870 1.00 0.00 O ATOM 1011 CB THR A 66 0.645 9.898 3.898 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.610 10.885 3.580 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.567 9.802 5.407 1.00 0.00 C ATOM 0 H THR A 66 2.797 9.088 2.297 1.00 0.00 H new ATOM 0 HA THR A 66 0.683 7.749 3.876 1.00 0.00 H new ATOM 0 HB THR A 66 -0.339 10.169 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.372 11.729 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.319 10.779 5.821 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.203 9.083 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.529 9.475 5.801 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.914 7.782 1.943 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.728 7.592 0.749 1.00 0.00 C ATOM 1023 C LEU A 67 -2.353 8.909 0.300 1.00 0.00 C ATOM 1024 O LEU A 67 -2.616 9.792 1.117 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.824 6.558 1.011 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.501 5.999 -0.241 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.565 5.052 -0.976 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.797 5.292 0.125 1.00 0.00 C ATOM 0 H LEU A 67 -1.305 7.369 2.790 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.078 7.229 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.393 5.729 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.586 7.011 1.645 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.738 6.831 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.064 4.664 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.663 5.588 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.296 4.224 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.265 4.900 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.583 4.470 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.473 5.998 0.607 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.591 9.033 -1.001 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.187 10.241 -1.558 1.00 0.00 C ATOM 1042 C GLN A 68 -4.692 10.270 -1.306 1.00 0.00 C ATOM 1043 O GLN A 68 -5.217 9.468 -0.533 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.907 10.327 -3.059 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.469 10.006 -3.430 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.095 10.509 -4.811 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.962 10.750 -5.651 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.200 10.669 -5.052 1.00 0.00 N ATOM 0 H GLN A 68 -2.380 8.311 -1.690 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.737 11.101 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.571 9.640 -3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.148 11.331 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.800 10.450 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.319 8.927 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.884 10.457 -4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.511 11.004 -5.964 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.380 11.199 -1.962 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.823 11.331 -1.807 1.00 0.00 C ATOM 1059 C ASP A 69 -7.562 10.608 -2.928 1.00 0.00 C ATOM 1060 O ASP A 69 -8.585 9.964 -2.698 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.222 12.808 -1.787 1.00 0.00 C ATOM 1062 CG ASP A 69 -8.432 13.069 -0.910 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -8.388 12.708 0.284 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -9.422 13.634 -1.419 1.00 0.00 O ATOM 0 H ASP A 69 -4.961 11.871 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.103 10.872 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.382 13.403 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.436 13.137 -2.804 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.037 10.718 -4.144 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.647 10.075 -5.303 1.00 0.00 C ATOM 1071 C CYS A 70 -7.408 8.569 -5.279 1.00 0.00 C ATOM 1072 O CYS A 70 -8.231 7.792 -5.761 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.089 10.672 -6.596 1.00 0.00 C ATOM 1074 SG CYS A 70 -7.596 12.380 -6.900 1.00 0.00 S ATOM 0 H CYS A 70 -6.190 11.247 -4.353 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.721 10.254 -5.263 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.000 10.628 -6.564 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.408 10.055 -7.436 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.072 12.796 -8.015 1.00 0.00 H new ATOM 1080 N MET A 71 -6.274 8.163 -4.716 1.00 0.00 N ATOM 1081 CA MET A 71 -5.927 6.750 -4.631 1.00 0.00 C ATOM 1082 C MET A 71 -6.934 5.988 -3.775 1.00 0.00 C ATOM 1083 O MET A 71 -7.116 4.782 -3.940 1.00 0.00 O ATOM 1084 CB MET A 71 -4.520 6.584 -4.052 1.00 0.00 C ATOM 1085 CG MET A 71 -3.425 7.159 -4.936 1.00 0.00 C ATOM 1086 SD MET A 71 -3.446 6.474 -6.603 1.00 0.00 S ATOM 1087 CE MET A 71 -2.946 4.785 -6.281 1.00 0.00 C ATOM 0 H MET A 71 -5.581 8.793 -4.312 1.00 0.00 H new ATOM 0 HA MET A 71 -5.951 6.336 -5.639 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.479 7.068 -3.076 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.326 5.524 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.539 8.242 -4.991 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.455 6.963 -4.479 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.411 4.393 -7.146 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.294 4.759 -5.408 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.829 4.174 -6.093 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.588 6.698 -2.859 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.577 6.087 -1.978 1.00 0.00 C ATOM 1099 C TYR A 72 -9.668 5.382 -2.781 1.00 0.00 C ATOM 1100 O TYR A 72 -10.251 4.399 -2.324 1.00 0.00 O ATOM 1101 CB TYR A 72 -9.202 7.144 -1.066 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.413 7.394 0.199 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -8.048 6.345 1.032 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -8.033 8.681 0.560 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.328 6.569 2.190 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -7.312 8.914 1.715 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.962 7.856 2.526 1.00 0.00 C ATOM 1108 OH TYR A 72 -6.243 8.084 3.678 1.00 0.00 O ATOM 0 H TYR A 72 -7.450 7.697 -2.708 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.067 5.343 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.294 8.079 -1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.211 6.831 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.332 5.336 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.306 9.513 -0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.054 5.742 2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.024 9.920 1.981 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.065 9.043 3.768 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.939 5.892 -3.978 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.960 5.311 -4.842 1.00 0.00 C ATOM 1120 C LYS A 73 -10.579 3.894 -5.260 1.00 0.00 C ATOM 1121 O LYS A 73 -11.445 3.046 -5.478 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.165 6.181 -6.083 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.370 7.654 -5.766 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.398 8.287 -6.692 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.197 9.367 -5.982 1.00 0.00 C ATOM 1126 NZ LYS A 73 -14.476 8.841 -5.431 1.00 0.00 N ATOM 0 H LYS A 73 -9.466 6.706 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.892 5.267 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.300 6.076 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.029 5.813 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.695 7.762 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.421 8.182 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.894 8.716 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.075 7.519 -7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.599 9.788 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.408 10.179 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.991 9.609 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.058 8.462 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.274 8.084 -4.747 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.278 3.643 -5.371 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.783 2.329 -5.763 1.00 0.00 C ATOM 1142 C ASP A 74 -8.954 1.317 -4.633 1.00 0.00 C ATOM 1143 O ASP A 74 -9.038 0.113 -4.875 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.309 2.416 -6.166 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.130 2.703 -7.644 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.803 2.043 -8.463 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.317 3.589 -7.983 1.00 0.00 O ATOM 0 H ASP A 74 -8.548 4.333 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.369 1.991 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.822 3.199 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.811 1.479 -5.918 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.004 1.812 -3.400 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.165 0.948 -2.236 1.00 0.00 C ATOM 1154 C VAL A 75 -10.435 0.109 -2.344 1.00 0.00 C ATOM 1155 O VAL A 75 -11.529 0.640 -2.537 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.213 1.769 -0.930 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.294 0.850 0.280 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -8.001 2.683 -0.831 1.00 0.00 C ATOM 0 H VAL A 75 -8.935 2.806 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.299 0.287 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.110 2.388 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.327 1.449 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.195 0.240 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.418 0.202 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.051 3.254 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.091 2.083 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.991 3.367 -1.679 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.280 -1.205 -2.219 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.413 -2.121 -2.303 1.00 0.00 C ATOM 1170 C GLN A 76 -12.166 -2.178 -0.978 1.00 0.00 C ATOM 1171 O GLN A 76 -11.860 -1.432 -0.046 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.935 -3.521 -2.691 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.129 -3.553 -3.980 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.809 -4.965 -4.432 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.303 -5.938 -3.863 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.976 -5.083 -5.459 1.00 0.00 N ATOM 0 H GLN A 76 -9.381 -1.660 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.092 -1.750 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.327 -3.926 -1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.800 -4.175 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.686 -3.041 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.200 -3.002 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.590 -4.249 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.722 -6.008 -5.806 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.151 -3.067 -0.901 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.948 -3.220 0.311 1.00 0.00 C ATOM 1187 C LYS A 77 -14.025 -4.686 0.728 1.00 0.00 C ATOM 1188 O LYS A 77 -15.042 -5.139 1.253 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.356 -2.665 0.094 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.477 -1.180 0.392 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.460 -0.500 -0.546 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.113 0.707 0.109 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.453 0.996 -0.472 1.00 0.00 N ATOM 0 H LYS A 77 -13.416 -3.692 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.463 -2.658 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.653 -2.845 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -16.055 -3.212 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.801 -1.040 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.499 -0.709 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.942 -0.187 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.229 -1.212 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.212 0.530 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.469 1.578 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.865 1.826 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.356 1.190 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.076 0.174 -0.334 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.943 -5.421 0.492 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.889 -6.835 0.845 1.00 0.00 C ATOM 1209 C ASP A 78 -11.453 -7.347 0.823 1.00 0.00 C ATOM 1210 O ASP A 78 -11.202 -8.507 0.497 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.752 -7.655 -0.118 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.587 -8.697 0.599 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.323 -8.327 1.538 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -14.505 -9.885 0.222 1.00 0.00 O ATOM 0 H ASP A 78 -12.093 -5.061 0.058 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.279 -6.947 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.409 -6.985 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.109 -8.148 -0.848 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.512 -6.474 1.172 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.100 -6.840 1.192 1.00 0.00 C ATOM 1221 C TRP A 79 -8.823 -7.886 2.271 1.00 0.00 C ATOM 1222 O TRP A 79 -8.919 -7.597 3.464 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.237 -5.600 1.437 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.767 -5.884 1.403 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.896 -5.823 2.452 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -5.995 -6.273 0.261 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.630 -6.151 2.034 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.664 -6.431 0.694 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.299 -6.503 -1.083 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.640 -6.809 -0.172 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.282 -6.878 -1.941 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.966 -7.029 -1.483 1.00 0.00 C ATOM 0 H TRP A 79 -10.702 -5.510 1.444 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.847 -7.268 0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.472 -4.848 0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.495 -5.172 2.406 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.164 -5.556 3.464 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.799 -6.181 2.625 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.310 -6.390 -1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.625 -6.924 0.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.505 -7.058 -2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.194 -7.325 -2.178 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.473 -9.123 1.869 1.00 0.00 N ATOM 1244 CA PRO A 80 -8.183 -10.205 2.816 1.00 0.00 C ATOM 1245 C PRO A 80 -7.122 -9.814 3.840 1.00 0.00 C ATOM 1246 O PRO A 80 -7.050 -10.391 4.924 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.670 -11.338 1.923 1.00 0.00 C ATOM 1248 CG PRO A 80 -8.254 -11.060 0.582 1.00 0.00 C ATOM 1249 CD PRO A 80 -8.332 -9.564 0.468 1.00 0.00 C ATOM 0 HA PRO A 80 -9.061 -10.473 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.581 -11.350 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.986 -12.311 2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.633 -11.480 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.242 -11.511 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.437 -9.149 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.181 -9.251 -0.140 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.299 -8.830 3.488 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.252 -8.381 4.389 1.00 0.00 C ATOM 1259 C GLY A 81 -5.792 -7.947 5.738 1.00 0.00 C ATOM 1260 O GLY A 81 -5.135 -8.125 6.764 1.00 0.00 O ATOM 0 H GLY A 81 -6.338 -8.336 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.531 -9.186 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.716 -7.550 3.932 1.00 0.00 H new ATOM 1264 N TYR A 82 -6.992 -7.375 5.738 1.00 0.00 N ATOM 1265 CA TYR A 82 -7.620 -6.915 6.971 1.00 0.00 C ATOM 1266 C TYR A 82 -8.233 -8.082 7.736 1.00 0.00 C ATOM 1267 O TYR A 82 -8.273 -9.209 7.242 1.00 0.00 O ATOM 1268 CB TYR A 82 -8.694 -5.871 6.662 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.186 -4.695 5.859 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.058 -3.991 6.260 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -8.835 -4.289 4.700 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.591 -2.916 5.529 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.374 -3.216 3.963 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.252 -2.532 4.381 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.789 -1.462 3.649 1.00 0.00 O ATOM 0 H TYR A 82 -7.549 -7.219 4.898 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.850 -6.460 7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.506 -6.349 6.115 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.113 -5.505 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.537 -4.289 7.158 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.715 -4.821 4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.713 -2.379 5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.890 -2.914 3.063 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.848 -1.297 3.869 1.00 0.00 H new ATOM 1285 N SER A 83 -8.712 -7.805 8.945 1.00 0.00 N ATOM 1286 CA SER A 83 -9.325 -8.832 9.779 1.00 0.00 C ATOM 1287 C SER A 83 -10.586 -8.302 10.454 1.00 0.00 C ATOM 1288 O SER A 83 -11.698 -8.715 10.127 1.00 0.00 O ATOM 1289 CB SER A 83 -8.332 -9.322 10.835 1.00 0.00 C ATOM 1290 OG SER A 83 -7.737 -10.548 10.447 1.00 0.00 O ATOM 0 H SER A 83 -8.687 -6.877 9.369 1.00 0.00 H new ATOM 0 HA SER A 83 -9.603 -9.669 9.138 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.557 -8.570 10.986 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.844 -9.449 11.789 1.00 0.00 H new ATOM 0 HG SER A 83 -7.106 -10.838 11.138 1.00 0.00 H new ATOM 1296 N GLU A 84 -10.404 -7.383 11.398 1.00 0.00 N ATOM 1297 CA GLU A 84 -11.527 -6.795 12.119 1.00 0.00 C ATOM 1298 C GLU A 84 -11.217 -5.360 12.531 1.00 0.00 C ATOM 1299 O GLU A 84 -11.839 -4.416 12.043 1.00 0.00 O ATOM 1300 CB GLU A 84 -11.860 -7.634 13.355 1.00 0.00 C ATOM 1301 CG GLU A 84 -13.353 -7.782 13.604 1.00 0.00 C ATOM 1302 CD GLU A 84 -13.662 -8.734 14.742 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.661 -9.960 14.508 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -13.905 -8.252 15.869 1.00 0.00 O ATOM 0 H GLU A 84 -9.490 -7.030 11.681 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.390 -6.783 11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.419 -8.624 13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.397 -7.177 14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.779 -6.804 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.836 -8.140 12.695 1.00 0.00 H new ATOM 1311 N GLY A 85 -10.253 -5.202 13.432 1.00 0.00 N ATOM 1312 CA GLY A 85 -9.879 -3.878 13.894 1.00 0.00 C ATOM 1313 C GLY A 85 -9.342 -3.003 12.779 1.00 0.00 C ATOM 1314 O GLY A 85 -9.463 -1.779 12.828 1.00 0.00 O ATOM 0 H GLY A 85 -9.724 -5.967 13.851 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.747 -3.395 14.344 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.124 -3.969 14.675 1.00 0.00 H new ATOM 1318 N ASP A 86 -8.746 -3.632 11.770 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.188 -2.903 10.638 1.00 0.00 C ATOM 1320 C ASP A 86 -9.263 -2.605 9.598 1.00 0.00 C ATOM 1321 O ASP A 86 -9.203 -1.591 8.901 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.052 -3.704 10.000 1.00 0.00 C ATOM 1323 CG ASP A 86 -5.927 -3.991 10.974 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.568 -3.081 11.751 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.406 -5.126 10.963 1.00 0.00 O ATOM 0 H ASP A 86 -8.638 -4.645 11.714 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.794 -1.956 11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.446 -4.645 9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.658 -3.153 9.146 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.244 -3.495 9.497 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.332 -3.329 8.540 1.00 0.00 C ATOM 1332 C GLN A 87 -12.199 -2.127 8.902 1.00 0.00 C ATOM 1333 O GLN A 87 -12.712 -1.432 8.025 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.190 -4.594 8.487 1.00 0.00 C ATOM 1335 CG GLN A 87 -11.590 -5.699 7.634 1.00 0.00 C ATOM 1336 CD GLN A 87 -12.628 -6.701 7.166 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -13.604 -6.340 6.507 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.422 -7.968 7.503 1.00 0.00 N ATOM 0 H GLN A 87 -10.308 -4.339 10.066 1.00 0.00 H new ATOM 0 HA GLN A 87 -10.894 -3.154 7.558 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.336 -4.967 9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.175 -4.339 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.099 -5.258 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.821 -6.218 8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.600 -8.223 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.086 -8.687 7.215 1.00 0.00 H new ATOM 1347 N GLN A 88 -12.360 -1.888 10.200 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.167 -0.771 10.676 1.00 0.00 C ATOM 1349 C GLN A 88 -12.412 0.547 10.534 1.00 0.00 C ATOM 1350 O GLN A 88 -12.998 1.580 10.209 1.00 0.00 O ATOM 1351 CB GLN A 88 -13.566 -0.988 12.137 1.00 0.00 C ATOM 1352 CG GLN A 88 -14.481 -2.183 12.346 1.00 0.00 C ATOM 1353 CD GLN A 88 -14.812 -2.417 13.807 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -13.947 -2.305 14.676 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.068 -2.741 14.085 1.00 0.00 N ATOM 0 H GLN A 88 -11.943 -2.453 10.940 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.068 -0.721 10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.665 -1.122 12.735 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.063 -0.091 12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.405 -2.030 11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.006 -3.075 11.938 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.752 -2.823 13.333 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.350 -2.908 15.051 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.106 0.504 10.779 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.270 1.695 10.680 1.00 0.00 C ATOM 1366 C LEU A 89 -10.225 2.212 9.245 1.00 0.00 C ATOM 1367 O LEU A 89 -10.104 3.414 9.012 1.00 0.00 O ATOM 1368 CB LEU A 89 -8.852 1.389 11.168 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.050 2.607 11.631 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.365 2.932 13.083 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -6.560 2.363 11.448 1.00 0.00 C ATOM 0 H LEU A 89 -10.604 -0.342 11.047 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.707 2.468 11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.913 0.678 11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.305 0.897 10.363 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.336 3.462 11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.786 3.801 13.395 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.428 3.149 13.185 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.107 2.079 13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.004 3.239 11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.258 1.496 12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.348 2.179 10.395 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.322 1.295 8.288 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.292 1.659 6.876 1.00 0.00 C ATOM 1385 C LEU A 90 -11.553 2.419 6.478 1.00 0.00 C ATOM 1386 O LEU A 90 -11.528 3.253 5.572 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.143 0.407 6.009 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.050 0.667 4.504 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.678 1.217 4.143 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.337 -0.607 3.725 1.00 0.00 C ATOM 0 H LEU A 90 -10.422 0.295 8.464 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.433 2.311 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.249 -0.131 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.993 -0.249 6.197 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.800 1.410 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.629 1.396 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.510 2.153 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.911 0.496 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.267 -0.404 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.610 -1.372 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.341 -0.960 3.962 1.00 0.00 H new ATOM 1402 N LYS A 91 -12.656 2.124 7.158 1.00 0.00 N ATOM 1403 CA LYS A 91 -13.928 2.780 6.875 1.00 0.00 C ATOM 1404 C LYS A 91 -13.864 4.267 7.211 1.00 0.00 C ATOM 1405 O LYS A 91 -14.126 5.118 6.362 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.056 2.115 7.666 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.191 0.626 7.396 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.218 -0.016 8.314 1.00 0.00 C ATOM 1409 CE LYS A 91 -15.972 -1.508 8.467 1.00 0.00 C ATOM 1410 NZ LYS A 91 -16.631 -2.294 7.388 1.00 0.00 N ATOM 0 H LYS A 91 -12.695 1.435 7.909 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.130 2.677 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.881 2.268 8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.998 2.607 7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.481 0.468 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.225 0.141 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.182 0.462 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.219 0.150 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.899 -1.702 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.344 -1.840 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.439 -3.306 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.657 -2.129 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.258 -1.996 6.464 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.514 4.571 8.457 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.416 5.956 8.910 1.00 0.00 C ATOM 1426 C ARG A 92 -12.488 6.765 8.010 1.00 0.00 C ATOM 1427 O ARG A 92 -12.653 7.976 7.860 1.00 0.00 O ATOM 1428 CB ARG A 92 -12.915 6.006 10.354 1.00 0.00 C ATOM 1429 CG ARG A 92 -11.603 5.268 10.568 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.137 5.363 12.012 1.00 0.00 C ATOM 1431 NE ARG A 92 -9.762 5.850 12.112 1.00 0.00 N ATOM 1432 CZ ARG A 92 -9.423 7.134 12.023 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -10.352 8.063 11.834 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -8.150 7.491 12.125 1.00 0.00 N ATOM 0 H ARG A 92 -13.293 3.877 9.172 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.411 6.397 8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.789 7.047 10.650 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.674 5.578 11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.725 4.220 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.839 5.684 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.799 6.030 12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.209 4.382 12.482 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.020 5.166 12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.333 7.795 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.085 9.045 11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.432 6.782 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.889 8.475 12.057 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.511 6.090 7.413 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.557 6.749 6.529 1.00 0.00 C ATOM 1450 C VAL A 93 -11.167 7.012 5.156 1.00 0.00 C ATOM 1451 O VAL A 93 -10.792 7.963 4.471 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.278 5.908 6.355 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.223 6.688 5.585 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -8.741 5.462 7.708 1.00 0.00 C ATOM 0 H VAL A 93 -11.359 5.088 7.525 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.299 7.699 6.997 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.529 5.018 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.328 6.076 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.610 6.949 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.974 7.599 6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.838 4.869 7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.507 6.338 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.493 4.859 8.217 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.110 6.164 4.759 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.770 6.304 3.466 1.00 0.00 C ATOM 1466 C LEU A 94 -13.939 7.280 3.551 1.00 0.00 C ATOM 1467 O LEU A 94 -14.198 8.038 2.615 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.262 4.943 2.972 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.158 3.952 2.599 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.680 2.525 2.664 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.611 4.260 1.214 1.00 0.00 C ATOM 0 H LEU A 94 -12.434 5.372 5.314 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.043 6.700 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.884 4.495 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.899 5.098 2.101 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.345 4.053 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.882 1.833 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.023 2.309 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.510 2.409 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.827 3.545 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.414 4.187 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.199 5.269 1.202 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.645 7.257 4.678 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.787 8.140 4.882 1.00 0.00 C ATOM 1485 C VAL A 95 -15.343 9.590 5.038 1.00 0.00 C ATOM 1486 O VAL A 95 -15.854 10.483 4.361 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.601 7.728 6.123 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.879 8.548 6.221 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.916 6.239 6.087 1.00 0.00 C ATOM 0 H VAL A 95 -14.446 6.637 5.463 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.416 8.050 3.997 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.000 7.927 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.441 8.243 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.628 9.606 6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.486 8.384 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.491 5.967 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.496 6.011 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.986 5.671 6.070 1.00 0.00 H new ATOM 1499 N ARG A 96 -14.389 9.819 5.936 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.877 11.163 6.182 1.00 0.00 C ATOM 1501 C ARG A 96 -13.300 11.770 4.907 1.00 0.00 C ATOM 1502 O ARG A 96 -13.345 12.985 4.711 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.808 11.131 7.276 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.924 12.271 8.274 1.00 0.00 C ATOM 1505 CD ARG A 96 -13.657 11.840 9.534 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.978 12.294 10.745 1.00 0.00 N ATOM 1507 CZ ARG A 96 -11.771 11.877 11.119 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -11.106 10.997 10.379 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -11.226 12.340 12.236 1.00 0.00 N ATOM 0 H ARG A 96 -13.955 9.092 6.505 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.708 11.786 6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.875 10.183 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.823 11.165 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.928 12.628 8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.451 13.106 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.672 12.237 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.740 10.753 9.551 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.457 12.971 11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.520 10.637 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.181 10.681 10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.732 13.016 12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.301 12.020 12.523 1.00 0.00 H new ATOM 1523 N LYS A 97 -12.759 10.918 4.043 1.00 0.00 N ATOM 1524 CA LYS A 97 -12.172 11.373 2.788 1.00 0.00 C ATOM 1525 C LYS A 97 -13.230 11.459 1.693 1.00 0.00 C ATOM 1526 O LYS A 97 -13.405 12.505 1.067 1.00 0.00 O ATOM 1527 CB LYS A 97 -11.049 10.429 2.355 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.917 10.327 3.365 1.00 0.00 C ATOM 1529 CD LYS A 97 -9.057 11.580 3.362 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.831 11.415 4.245 1.00 0.00 C ATOM 1531 NZ LYS A 97 -7.397 12.709 4.840 1.00 0.00 N ATOM 0 H LYS A 97 -12.715 9.909 4.189 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.759 12.369 2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.465 9.436 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.645 10.771 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.330 10.169 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.299 9.459 3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.745 11.806 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.646 12.428 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.051 10.705 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.015 10.993 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.558 12.554 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.163 13.379 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.166 13.099 5.421 1.00 0.00 H new