USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -13.4! C(o=-13!,f=-17!) USER MOD Set 1.2: A 30 TYR OH : rot 130:sc= 0.271 USER MOD Single : A 1 LYS N :NH3+ -125:sc= 0.0956 (180deg=-0.0916) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= -5.65 (180deg=-5.67) USER MOD Single : A 6 ASN : amide:sc= -2.16! C(o=-2.2!,f=-8.5!) USER MOD Single : A 9 GLN : amide:sc= -0.233 K(o=-0.23,f=-3.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.387 K(o=-0.39,f=-4.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -116:sc= -0.186 (180deg=-1.42!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.8!) USER MOD Single : A 40 CYS SG : rot 68:sc= -1.11! USER MOD Single : A 42 THR OG1 : rot -126:sc= 0.983 USER MOD Single : A 47 TYR OH : rot -57:sc= -3.41! USER MOD Single : A 55 GLN : amide:sc= -0.475 K(o=-0.48,f=-1.4!) USER MOD Single : A 58 GLN : amide:sc= -0.962 K(o=-0.96,f=-4.2!) USER MOD Single : A 59 SER OG : rot -70:sc= -2.47! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0238 K(o=-0.024,f=-0.76) USER MOD Single : A 63 THR OG1 : rot -35:sc= -3.46! USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0345 F(o=-1.8,f=-0.034) USER MOD Single : A 69 SER OG : rot -49:sc= -1.85! USER MOD Single : A 72 GLN : amide:sc= -0.497 K(o=-0.5,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -123:sc= -1.36 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.443 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.207 5.017 8.406 1.00 0.00 N ATOM 2 CA LYS A 1 -7.072 4.217 8.946 1.00 0.00 C ATOM 3 C LYS A 1 -5.749 4.845 8.504 1.00 0.00 C ATOM 4 O LYS A 1 -5.716 5.721 7.662 1.00 0.00 O ATOM 5 CB LYS A 1 -7.160 2.784 8.415 1.00 0.00 C ATOM 6 CG LYS A 1 -6.409 1.843 9.359 1.00 0.00 C ATOM 7 CD LYS A 1 -6.950 0.421 9.199 1.00 0.00 C ATOM 8 CE LYS A 1 -8.355 0.338 9.798 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.104 -0.779 9.155 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.830 5.306 9.187 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.838 5.863 7.926 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.746 4.441 7.728 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.122 4.205 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.203 2.478 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.733 2.729 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.342 1.864 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.528 2.175 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.976 0.147 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.289 -0.289 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.294 0.177 10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.883 1.279 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.059 -0.836 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.173 -0.607 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.603 -1.675 9.322 1.00 0.00 H new ATOM 25 N LYS A 2 -4.656 4.404 9.065 1.00 0.00 N ATOM 26 CA LYS A 2 -3.337 4.977 8.675 1.00 0.00 C ATOM 27 C LYS A 2 -2.437 3.869 8.129 1.00 0.00 C ATOM 28 O LYS A 2 -2.429 2.759 8.623 1.00 0.00 O ATOM 29 CB LYS A 2 -2.662 5.596 9.898 1.00 0.00 C ATOM 30 CG LYS A 2 -2.483 7.101 9.688 1.00 0.00 C ATOM 31 CD LYS A 2 -1.177 7.553 10.349 1.00 0.00 C ATOM 32 CE LYS A 2 -0.020 7.421 9.354 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.113 6.113 8.646 1.00 0.00 N ATOM 0 H LYS A 2 -4.620 3.673 9.775 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.494 5.739 7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.264 5.413 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.693 5.126 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.463 7.331 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.327 7.642 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.266 8.587 10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.978 6.949 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.052 8.238 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.933 7.495 9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.644 6.048 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.011 5.339 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.037 6.038 8.175 1.00 0.00 H new ATOM 47 N ALA A 3 -1.671 4.166 7.119 1.00 0.00 N ATOM 48 CA ALA A 3 -0.760 3.136 6.545 1.00 0.00 C ATOM 49 C ALA A 3 0.625 3.746 6.319 1.00 0.00 C ATOM 50 O ALA A 3 0.784 4.691 5.576 1.00 0.00 O ATOM 51 CB ALA A 3 -1.324 2.634 5.215 1.00 0.00 C ATOM 0 H ALA A 3 -1.635 5.078 6.664 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.678 2.300 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.656 1.881 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.308 2.195 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.411 3.468 4.519 1.00 0.00 H new ATOM 57 N VAL A 4 1.626 3.211 6.960 1.00 0.00 N ATOM 58 CA VAL A 4 3.002 3.757 6.793 1.00 0.00 C ATOM 59 C VAL A 4 3.871 2.743 6.051 1.00 0.00 C ATOM 60 O VAL A 4 4.062 1.630 6.501 1.00 0.00 O ATOM 61 CB VAL A 4 3.598 4.025 8.174 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.901 4.815 8.030 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.591 4.825 9.004 1.00 0.00 C ATOM 0 H VAL A 4 1.550 2.416 7.595 1.00 0.00 H new ATOM 0 HA VAL A 4 2.964 4.683 6.219 1.00 0.00 H new ATOM 0 HB VAL A 4 3.813 3.080 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.323 5.004 9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.611 4.240 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.698 5.764 7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.008 5.021 9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.378 5.771 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.668 4.254 9.106 1.00 0.00 H new ATOM 73 N ILE A 5 4.401 3.112 4.916 1.00 0.00 N ATOM 74 CA ILE A 5 5.256 2.155 4.158 1.00 0.00 C ATOM 75 C ILE A 5 6.727 2.394 4.493 1.00 0.00 C ATOM 76 O ILE A 5 7.375 3.248 3.923 1.00 0.00 O ATOM 77 CB ILE A 5 5.040 2.346 2.660 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.525 2.278 2.367 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.814 1.256 1.905 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.196 1.183 1.342 1.00 0.00 C ATOM 0 H ILE A 5 4.280 4.028 4.484 1.00 0.00 H new ATOM 0 HA ILE A 5 4.983 1.138 4.438 1.00 0.00 H new ATOM 0 HB ILE A 5 5.410 3.316 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.983 2.085 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.183 3.243 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.667 1.382 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.876 1.336 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.449 0.275 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.121 1.165 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.718 1.390 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.515 0.215 1.729 1.00 0.00 H new ATOM 92 N ASN A 6 7.260 1.639 5.409 1.00 0.00 N ATOM 93 CA ASN A 6 8.685 1.810 5.781 1.00 0.00 C ATOM 94 C ASN A 6 9.560 1.086 4.754 1.00 0.00 C ATOM 95 O ASN A 6 9.747 -0.113 4.818 1.00 0.00 O ATOM 96 CB ASN A 6 8.907 1.212 7.169 1.00 0.00 C ATOM 97 CG ASN A 6 7.813 1.701 8.122 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.846 2.303 7.701 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.929 1.467 9.401 1.00 0.00 N ATOM 0 H ASN A 6 6.765 0.907 5.918 1.00 0.00 H new ATOM 0 HA ASN A 6 8.949 2.868 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.894 0.124 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.888 1.500 7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.208 1.790 10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.741 0.961 9.755 1.00 0.00 H new ATOM 106 N GLY A 7 10.085 1.804 3.798 1.00 0.00 N ATOM 107 CA GLY A 7 10.934 1.160 2.754 1.00 0.00 C ATOM 108 C GLY A 7 12.180 0.541 3.391 1.00 0.00 C ATOM 109 O GLY A 7 12.485 -0.616 3.179 1.00 0.00 O ATOM 0 H GLY A 7 9.962 2.811 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.363 0.391 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.227 1.898 2.008 1.00 0.00 H new ATOM 113 N GLU A 8 12.907 1.299 4.164 1.00 0.00 N ATOM 114 CA GLU A 8 14.135 0.749 4.805 1.00 0.00 C ATOM 115 C GLU A 8 13.807 -0.567 5.516 1.00 0.00 C ATOM 116 O GLU A 8 14.681 -1.361 5.802 1.00 0.00 O ATOM 117 CB GLU A 8 14.675 1.757 5.822 1.00 0.00 C ATOM 118 CG GLU A 8 13.617 2.017 6.896 1.00 0.00 C ATOM 119 CD GLU A 8 13.991 3.270 7.689 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.963 3.911 7.322 1.00 0.00 O ATOM 121 OE2 GLU A 8 13.300 3.568 8.649 1.00 0.00 O ATOM 0 H GLU A 8 12.704 2.275 4.380 1.00 0.00 H new ATOM 0 HA GLU A 8 14.887 0.564 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.587 1.374 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.937 2.689 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.638 2.145 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.544 1.159 7.564 1.00 0.00 H new ATOM 128 N GLN A 9 12.558 -0.802 5.813 1.00 0.00 N ATOM 129 CA GLN A 9 12.185 -2.061 6.513 1.00 0.00 C ATOM 130 C GLN A 9 11.876 -3.160 5.493 1.00 0.00 C ATOM 131 O GLN A 9 12.335 -4.279 5.613 1.00 0.00 O ATOM 132 CB GLN A 9 10.947 -1.804 7.372 1.00 0.00 C ATOM 133 CG GLN A 9 11.248 -0.698 8.386 1.00 0.00 C ATOM 134 CD GLN A 9 12.372 -1.152 9.320 1.00 0.00 C ATOM 135 OE1 GLN A 9 13.504 -0.737 9.174 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.104 -1.993 10.282 1.00 0.00 N ATOM 0 H GLN A 9 11.781 -0.176 5.601 1.00 0.00 H new ATOM 0 HA GLN A 9 13.016 -2.384 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.107 -1.514 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.655 -2.717 7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.539 0.216 7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.353 -0.466 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.153 -2.342 10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.845 -2.301 10.911 1.00 0.00 H new ATOM 145 N ILE A 10 11.088 -2.855 4.502 1.00 0.00 N ATOM 146 CA ILE A 10 10.728 -3.877 3.486 1.00 0.00 C ATOM 147 C ILE A 10 11.966 -4.602 2.972 1.00 0.00 C ATOM 148 O ILE A 10 13.031 -4.036 2.823 1.00 0.00 O ATOM 149 CB ILE A 10 10.006 -3.188 2.335 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.557 -2.980 2.746 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.057 -4.044 1.059 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.888 -2.095 1.718 1.00 0.00 C ATOM 0 H ILE A 10 10.675 -1.934 4.352 1.00 0.00 H new ATOM 0 HA ILE A 10 10.077 -4.622 3.944 1.00 0.00 H new ATOM 0 HB ILE A 10 10.493 -2.236 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.041 -3.938 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.506 -2.520 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.534 -3.528 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.096 -4.207 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.577 -5.005 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.847 -1.935 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.403 -1.135 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.932 -2.576 0.741 1.00 0.00 H new ATOM 164 N ARG A 11 11.806 -5.859 2.686 1.00 0.00 N ATOM 165 CA ARG A 11 12.923 -6.672 2.160 1.00 0.00 C ATOM 166 C ARG A 11 12.528 -7.198 0.779 1.00 0.00 C ATOM 167 O ARG A 11 13.327 -7.777 0.069 1.00 0.00 O ATOM 168 CB ARG A 11 13.163 -7.846 3.105 1.00 0.00 C ATOM 169 CG ARG A 11 13.984 -7.375 4.304 1.00 0.00 C ATOM 170 CD ARG A 11 14.045 -8.488 5.353 1.00 0.00 C ATOM 171 NE ARG A 11 12.665 -8.965 5.652 1.00 0.00 N ATOM 172 CZ ARG A 11 12.487 -10.093 6.283 1.00 0.00 C ATOM 173 NH1 ARG A 11 12.598 -11.224 5.642 1.00 0.00 N ATOM 174 NH2 ARG A 11 12.198 -10.091 7.556 1.00 0.00 N ATOM 0 H ARG A 11 10.928 -6.365 2.798 1.00 0.00 H new ATOM 0 HA ARG A 11 13.832 -6.075 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.211 -8.256 3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.688 -8.646 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.991 -7.106 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.536 -6.479 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.655 -9.314 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.519 -8.119 6.263 1.00 0.00 H new ATOM 0 HE ARG A 11 11.860 -8.410 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.824 -11.226 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.459 -12.106 6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.111 -9.207 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.059 -10.973 8.049 1.00 0.00 H new ATOM 188 N SER A 12 11.292 -7.000 0.394 1.00 0.00 N ATOM 189 CA SER A 12 10.834 -7.485 -0.937 1.00 0.00 C ATOM 190 C SER A 12 9.377 -7.067 -1.161 1.00 0.00 C ATOM 191 O SER A 12 8.703 -6.602 -0.258 1.00 0.00 O ATOM 192 CB SER A 12 10.938 -9.010 -0.986 1.00 0.00 C ATOM 193 OG SER A 12 11.336 -9.412 -2.290 1.00 0.00 O ATOM 0 H SER A 12 10.581 -6.522 0.948 1.00 0.00 H new ATOM 0 HA SER A 12 11.460 -7.051 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.660 -9.361 -0.249 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.978 -9.460 -0.731 1.00 0.00 H new ATOM 0 HG SER A 12 11.405 -10.389 -2.324 1.00 0.00 H new ATOM 199 N ILE A 13 8.883 -7.229 -2.358 1.00 0.00 N ATOM 200 CA ILE A 13 7.472 -6.842 -2.636 1.00 0.00 C ATOM 201 C ILE A 13 6.566 -7.461 -1.573 1.00 0.00 C ATOM 202 O ILE A 13 5.720 -6.800 -1.002 1.00 0.00 O ATOM 203 CB ILE A 13 7.064 -7.351 -4.022 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.717 -6.741 -4.435 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.930 -8.872 -3.981 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.655 -5.262 -4.036 1.00 0.00 C ATOM 0 H ILE A 13 9.394 -7.612 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 13 7.376 -5.756 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 13 7.826 -7.061 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.581 -6.840 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.902 -7.287 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.640 -9.238 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.885 -9.314 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.170 -9.151 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.694 -4.844 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.769 -5.171 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.458 -4.717 -4.532 1.00 0.00 H new ATOM 218 N SER A 14 6.745 -8.722 -1.290 1.00 0.00 N ATOM 219 CA SER A 14 5.904 -9.372 -0.251 1.00 0.00 C ATOM 220 C SER A 14 5.911 -8.487 0.987 1.00 0.00 C ATOM 221 O SER A 14 4.884 -8.170 1.548 1.00 0.00 O ATOM 222 CB SER A 14 6.497 -10.731 0.102 1.00 0.00 C ATOM 223 OG SER A 14 5.730 -11.757 -0.514 1.00 0.00 O ATOM 0 H SER A 14 7.436 -9.327 -1.733 1.00 0.00 H new ATOM 0 HA SER A 14 4.887 -9.507 -0.618 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.533 -10.786 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.504 -10.867 1.183 1.00 0.00 H new ATOM 0 HG SER A 14 6.112 -12.631 -0.289 1.00 0.00 H new ATOM 229 N ASP A 15 7.076 -8.081 1.405 1.00 0.00 N ATOM 230 CA ASP A 15 7.188 -7.205 2.596 1.00 0.00 C ATOM 231 C ASP A 15 6.327 -5.965 2.390 1.00 0.00 C ATOM 232 O ASP A 15 5.641 -5.515 3.282 1.00 0.00 O ATOM 233 CB ASP A 15 8.638 -6.769 2.768 1.00 0.00 C ATOM 234 CG ASP A 15 9.153 -7.232 4.133 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.731 -8.288 4.575 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.959 -6.525 4.713 1.00 0.00 O ATOM 0 H ASP A 15 7.964 -8.323 0.965 1.00 0.00 H new ATOM 0 HA ASP A 15 6.855 -7.750 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.253 -7.192 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.715 -5.685 2.687 1.00 0.00 H new ATOM 241 N LEU A 16 6.362 -5.411 1.213 1.00 0.00 N ATOM 242 CA LEU A 16 5.543 -4.197 0.937 1.00 0.00 C ATOM 243 C LEU A 16 4.092 -4.510 1.285 1.00 0.00 C ATOM 244 O LEU A 16 3.453 -3.829 2.069 1.00 0.00 O ATOM 245 CB LEU A 16 5.646 -3.850 -0.551 1.00 0.00 C ATOM 246 CG LEU A 16 5.010 -2.483 -0.811 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.785 -1.406 -0.054 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.051 -2.180 -2.311 1.00 0.00 C ATOM 0 H LEU A 16 6.922 -5.745 0.429 1.00 0.00 H new ATOM 0 HA LEU A 16 5.899 -3.354 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.691 -3.839 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.146 -4.613 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 16 3.975 -2.493 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.331 -0.433 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.758 -1.621 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.820 -1.395 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.598 -1.206 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.086 -2.170 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.498 -2.947 -2.852 1.00 0.00 H new ATOM 260 N HIS A 17 3.581 -5.555 0.710 1.00 0.00 N ATOM 261 CA HIS A 17 2.186 -5.965 0.982 1.00 0.00 C ATOM 262 C HIS A 17 2.074 -6.396 2.445 1.00 0.00 C ATOM 263 O HIS A 17 1.003 -6.437 3.016 1.00 0.00 O ATOM 264 CB HIS A 17 1.852 -7.125 0.047 1.00 0.00 C ATOM 265 CG HIS A 17 2.163 -6.711 -1.364 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.412 -5.759 -2.035 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.144 -7.102 -2.240 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.947 -5.610 -3.260 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.005 -6.405 -3.437 1.00 0.00 N ATOM 0 H HIS A 17 4.081 -6.152 0.051 1.00 0.00 H new ATOM 0 HA HIS A 17 1.488 -5.146 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.431 -8.008 0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.800 -7.394 0.139 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.601 -5.262 -1.667 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.907 -7.838 -2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.567 -4.931 -4.009 1.00 0.00 H new ATOM 277 N GLN A 18 3.180 -6.702 3.063 1.00 0.00 N ATOM 278 CA GLN A 18 3.149 -7.113 4.485 1.00 0.00 C ATOM 279 C GLN A 18 2.774 -5.903 5.338 1.00 0.00 C ATOM 280 O GLN A 18 1.847 -5.945 6.122 1.00 0.00 O ATOM 281 CB GLN A 18 4.528 -7.630 4.901 1.00 0.00 C ATOM 282 CG GLN A 18 4.363 -8.812 5.858 1.00 0.00 C ATOM 283 CD GLN A 18 4.979 -10.065 5.233 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.854 -9.973 4.394 1.00 0.00 O ATOM 285 NE2 GLN A 18 4.556 -11.242 5.607 1.00 0.00 N ATOM 0 H GLN A 18 4.107 -6.684 2.638 1.00 0.00 H new ATOM 0 HA GLN A 18 2.415 -7.907 4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.093 -7.937 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.096 -6.834 5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.846 -8.593 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.306 -8.979 6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.822 -11.320 6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.960 -12.083 5.195 1.00 0.00 H new ATOM 294 N THR A 19 3.487 -4.818 5.186 1.00 0.00 N ATOM 295 CA THR A 19 3.172 -3.608 5.976 1.00 0.00 C ATOM 296 C THR A 19 1.791 -3.100 5.552 1.00 0.00 C ATOM 297 O THR A 19 1.008 -2.658 6.365 1.00 0.00 O ATOM 298 CB THR A 19 4.270 -2.544 5.745 1.00 0.00 C ATOM 299 OG1 THR A 19 4.901 -2.256 6.985 1.00 0.00 O ATOM 300 CG2 THR A 19 3.682 -1.245 5.178 1.00 0.00 C ATOM 0 H THR A 19 4.275 -4.725 4.545 1.00 0.00 H new ATOM 0 HA THR A 19 3.148 -3.832 7.042 1.00 0.00 H new ATOM 0 HB THR A 19 4.986 -2.942 5.026 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.600 -1.583 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.481 -0.519 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.195 -1.452 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.951 -0.840 5.878 1.00 0.00 H new ATOM 308 N LEU A 20 1.482 -3.170 4.285 1.00 0.00 N ATOM 309 CA LEU A 20 0.156 -2.709 3.820 1.00 0.00 C ATOM 310 C LEU A 20 -0.917 -3.574 4.476 1.00 0.00 C ATOM 311 O LEU A 20 -1.998 -3.134 4.780 1.00 0.00 O ATOM 312 CB LEU A 20 0.081 -2.877 2.309 1.00 0.00 C ATOM 313 CG LEU A 20 0.950 -1.819 1.631 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.818 -1.959 0.118 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.490 -0.423 2.059 1.00 0.00 C ATOM 0 H LEU A 20 2.097 -3.529 3.555 1.00 0.00 H new ATOM 0 HA LEU A 20 0.003 -1.662 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.418 -3.874 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.952 -2.783 1.974 1.00 0.00 H new ATOM 0 HG LEU A 20 1.991 -1.958 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.436 -1.207 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.147 -2.953 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.223 -1.818 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.112 0.330 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.550 -0.277 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.581 -0.326 3.141 1.00 0.00 H new ATOM 327 N LYS A 21 -0.602 -4.811 4.685 1.00 0.00 N ATOM 328 CA LYS A 21 -1.564 -5.755 5.319 1.00 0.00 C ATOM 329 C LYS A 21 -1.718 -5.412 6.800 1.00 0.00 C ATOM 330 O LYS A 21 -2.798 -5.452 7.345 1.00 0.00 O ATOM 331 CB LYS A 21 -1.028 -7.181 5.185 1.00 0.00 C ATOM 332 CG LYS A 21 -2.093 -8.175 5.650 1.00 0.00 C ATOM 333 CD LYS A 21 -1.461 -9.188 6.609 1.00 0.00 C ATOM 334 CE LYS A 21 -0.878 -8.453 7.818 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.831 -8.541 8.960 1.00 0.00 N ATOM 0 H LYS A 21 0.299 -5.222 4.440 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.533 -5.675 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.756 -7.382 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.123 -7.297 5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.907 -7.647 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.524 -8.690 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.209 -9.911 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.678 -9.748 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.081 -8.891 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.690 -7.409 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.435 -8.042 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.736 -8.104 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.988 -9.539 9.205 1.00 0.00 H new ATOM 349 N LYS A 22 -0.648 -5.077 7.460 1.00 0.00 N ATOM 350 CA LYS A 22 -0.746 -4.733 8.899 1.00 0.00 C ATOM 351 C LYS A 22 -1.597 -3.476 9.047 1.00 0.00 C ATOM 352 O LYS A 22 -2.566 -3.440 9.780 1.00 0.00 O ATOM 353 CB LYS A 22 0.649 -4.454 9.447 1.00 0.00 C ATOM 354 CG LYS A 22 1.177 -5.697 10.167 1.00 0.00 C ATOM 355 CD LYS A 22 0.466 -5.848 11.514 1.00 0.00 C ATOM 356 CE LYS A 22 1.172 -4.988 12.563 1.00 0.00 C ATOM 357 NZ LYS A 22 0.445 -3.696 12.718 1.00 0.00 N ATOM 0 H LYS A 22 0.290 -5.027 7.063 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.197 -5.560 9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.321 -4.179 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.618 -3.609 10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.010 -6.583 9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.253 -5.612 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.577 -5.545 11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.469 -6.893 11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.207 -5.515 13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.203 -4.803 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.061 -2.913 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.411 -3.706 12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.177 -3.566 13.714 1.00 0.00 H new ATOM 371 N GLU A 23 -1.231 -2.447 8.343 1.00 0.00 N ATOM 372 CA GLU A 23 -1.981 -1.176 8.400 1.00 0.00 C ATOM 373 C GLU A 23 -3.410 -1.421 7.928 1.00 0.00 C ATOM 374 O GLU A 23 -4.364 -1.289 8.669 1.00 0.00 O ATOM 375 CB GLU A 23 -1.299 -0.184 7.462 1.00 0.00 C ATOM 376 CG GLU A 23 0.061 0.213 8.041 1.00 0.00 C ATOM 377 CD GLU A 23 -0.142 0.994 9.341 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.498 0.377 10.331 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.063 2.197 9.324 1.00 0.00 O ATOM 0 H GLU A 23 -0.425 -2.437 7.718 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.999 -0.784 9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.170 -0.629 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.924 0.700 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.661 -0.677 8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.610 0.821 7.322 1.00 0.00 H new ATOM 386 N LEU A 24 -3.545 -1.789 6.691 1.00 0.00 N ATOM 387 CA LEU A 24 -4.879 -2.068 6.113 1.00 0.00 C ATOM 388 C LEU A 24 -5.539 -3.220 6.876 1.00 0.00 C ATOM 389 O LEU A 24 -6.718 -3.477 6.732 1.00 0.00 O ATOM 390 CB LEU A 24 -4.685 -2.463 4.651 1.00 0.00 C ATOM 391 CG LEU A 24 -4.002 -1.318 3.901 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.074 -1.894 2.831 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.062 -0.436 3.238 1.00 0.00 C ATOM 0 H LEU A 24 -2.768 -1.911 6.042 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.518 -1.188 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.080 -3.368 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.648 -2.689 4.193 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.421 -0.719 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.586 -1.079 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.318 -2.521 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.655 -2.493 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.574 0.380 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.644 -1.033 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.723 -0.026 4.001 1.00 0.00 H new ATOM 405 N ALA A 25 -4.789 -3.916 7.689 1.00 0.00 N ATOM 406 CA ALA A 25 -5.370 -5.045 8.458 1.00 0.00 C ATOM 407 C ALA A 25 -6.054 -6.029 7.505 1.00 0.00 C ATOM 408 O ALA A 25 -7.190 -6.414 7.703 1.00 0.00 O ATOM 409 CB ALA A 25 -6.382 -4.489 9.451 1.00 0.00 C ATOM 0 H ALA A 25 -3.796 -3.747 7.851 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.581 -5.574 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.818 -5.308 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.883 -3.797 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.170 -3.964 8.912 1.00 0.00 H new ATOM 415 N LEU A 26 -5.364 -6.451 6.479 1.00 0.00 N ATOM 416 CA LEU A 26 -5.965 -7.422 5.522 1.00 0.00 C ATOM 417 C LEU A 26 -5.905 -8.821 6.141 1.00 0.00 C ATOM 418 O LEU A 26 -5.131 -9.059 7.047 1.00 0.00 O ATOM 419 CB LEU A 26 -5.171 -7.412 4.211 1.00 0.00 C ATOM 420 CG LEU A 26 -4.881 -5.970 3.791 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.829 -5.963 2.682 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.166 -5.320 3.275 1.00 0.00 C ATOM 0 H LEU A 26 -4.409 -6.164 6.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.999 -7.147 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.236 -7.958 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.735 -7.921 3.430 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.509 -5.411 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.623 -4.935 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.912 -6.426 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.201 -6.523 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.959 -4.292 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.538 -5.880 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.918 -5.324 4.064 1.00 0.00 H new ATOM 434 N PRO A 27 -6.722 -9.708 5.636 1.00 0.00 N ATOM 435 CA PRO A 27 -6.771 -11.093 6.135 1.00 0.00 C ATOM 436 C PRO A 27 -5.410 -11.767 5.944 1.00 0.00 C ATOM 437 O PRO A 27 -4.449 -11.142 5.540 1.00 0.00 O ATOM 438 CB PRO A 27 -7.838 -11.782 5.278 1.00 0.00 C ATOM 439 CG PRO A 27 -8.409 -10.727 4.295 1.00 0.00 C ATOM 440 CD PRO A 27 -7.657 -9.409 4.537 1.00 0.00 C ATOM 0 HA PRO A 27 -7.006 -11.145 7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.406 -12.620 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.631 -12.187 5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.282 -11.056 3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.479 -10.593 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.126 -9.086 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.342 -8.606 4.808 1.00 0.00 H new ATOM 448 N GLU A 28 -5.319 -13.036 6.230 1.00 0.00 N ATOM 449 CA GLU A 28 -4.019 -13.744 6.061 1.00 0.00 C ATOM 450 C GLU A 28 -3.831 -14.115 4.589 1.00 0.00 C ATOM 451 O GLU A 28 -2.728 -14.342 4.132 1.00 0.00 O ATOM 452 CB GLU A 28 -4.015 -15.015 6.912 1.00 0.00 C ATOM 453 CG GLU A 28 -3.985 -14.635 8.394 1.00 0.00 C ATOM 454 CD GLU A 28 -3.339 -15.765 9.199 1.00 0.00 C ATOM 455 OE1 GLU A 28 -3.393 -16.895 8.743 1.00 0.00 O ATOM 456 OE2 GLU A 28 -2.801 -15.480 10.256 1.00 0.00 O ATOM 0 H GLU A 28 -6.087 -13.613 6.573 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.205 -13.092 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.901 -15.613 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.148 -15.628 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.425 -13.710 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.997 -14.451 8.754 1.00 0.00 H new ATOM 463 N TYR A 29 -4.899 -14.172 3.841 1.00 0.00 N ATOM 464 CA TYR A 29 -4.781 -14.523 2.398 1.00 0.00 C ATOM 465 C TYR A 29 -4.705 -13.237 1.572 1.00 0.00 C ATOM 466 O TYR A 29 -4.833 -13.257 0.364 1.00 0.00 O ATOM 467 CB TYR A 29 -6.002 -15.342 1.965 1.00 0.00 C ATOM 468 CG TYR A 29 -7.214 -14.444 1.897 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.896 -14.105 3.070 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.652 -13.948 0.664 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.017 -13.269 3.012 1.00 0.00 C ATOM 472 CE2 TYR A 29 -8.773 -13.111 0.605 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.455 -12.771 1.779 1.00 0.00 C ATOM 474 OH TYR A 29 -10.560 -11.946 1.722 1.00 0.00 O ATOM 0 H TYR A 29 -5.848 -13.991 4.167 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.879 -15.114 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.820 -15.799 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.177 -16.154 2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.557 -14.489 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.126 -14.211 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.544 -13.008 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.111 -12.728 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.728 -11.689 0.792 1.00 0.00 H new ATOM 484 N TYR A 30 -4.498 -12.118 2.217 1.00 0.00 N ATOM 485 CA TYR A 30 -4.414 -10.827 1.473 1.00 0.00 C ATOM 486 C TYR A 30 -3.592 -11.027 0.197 1.00 0.00 C ATOM 487 O TYR A 30 -2.390 -11.198 0.243 1.00 0.00 O ATOM 488 CB TYR A 30 -3.747 -9.761 2.367 1.00 0.00 C ATOM 489 CG TYR A 30 -3.080 -8.688 1.521 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.684 -8.249 0.335 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.851 -8.141 1.921 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.062 -7.268 -0.448 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.229 -7.156 1.136 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.837 -6.723 -0.048 1.00 0.00 C ATOM 495 OH TYR A 30 -1.227 -5.757 -0.822 1.00 0.00 O ATOM 0 H TYR A 30 -4.383 -12.043 3.228 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.416 -10.492 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.494 -9.306 3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.007 -10.233 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.630 -8.667 0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.383 -8.478 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.529 -6.932 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.284 -6.734 1.445 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.976 -4.996 -0.258 1.00 0.00 H new ATOM 505 N GLY A 31 -4.226 -10.980 -0.941 1.00 0.00 N ATOM 506 CA GLY A 31 -3.467 -11.139 -2.209 1.00 0.00 C ATOM 507 C GLY A 31 -2.462 -9.993 -2.305 1.00 0.00 C ATOM 508 O GLY A 31 -2.830 -8.845 -2.448 1.00 0.00 O ATOM 0 H GLY A 31 -5.231 -10.839 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.952 -12.100 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.144 -11.124 -3.063 1.00 0.00 H new ATOM 512 N GLU A 32 -1.196 -10.289 -2.212 1.00 0.00 N ATOM 513 CA GLU A 32 -0.170 -9.208 -2.276 1.00 0.00 C ATOM 514 C GLU A 32 -0.108 -8.605 -3.685 1.00 0.00 C ATOM 515 O GLU A 32 0.675 -7.716 -3.947 1.00 0.00 O ATOM 516 CB GLU A 32 1.201 -9.780 -1.904 1.00 0.00 C ATOM 517 CG GLU A 32 1.034 -10.899 -0.873 1.00 0.00 C ATOM 518 CD GLU A 32 1.310 -12.249 -1.536 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.125 -12.345 -2.738 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.703 -13.164 -0.831 1.00 0.00 O ATOM 0 H GLU A 32 -0.826 -11.232 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.446 -8.423 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.698 -10.165 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.836 -8.992 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.719 -10.745 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.024 -10.883 -0.463 1.00 0.00 H new ATOM 527 N ASN A 33 -0.921 -9.068 -4.593 1.00 0.00 N ATOM 528 CA ASN A 33 -0.887 -8.494 -5.971 1.00 0.00 C ATOM 529 C ASN A 33 -1.689 -7.191 -5.999 1.00 0.00 C ATOM 530 O ASN A 33 -2.312 -6.812 -5.028 1.00 0.00 O ATOM 531 CB ASN A 33 -1.468 -9.486 -6.992 1.00 0.00 C ATOM 532 CG ASN A 33 -2.525 -10.378 -6.336 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.197 -11.308 -5.626 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.788 -10.140 -6.553 1.00 0.00 N ATOM 0 H ASN A 33 -1.603 -9.812 -4.445 1.00 0.00 H new ATOM 0 HA ASN A 33 0.150 -8.294 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.911 -8.941 -7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.669 -10.102 -7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.499 -10.734 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.065 -9.360 -7.149 1.00 0.00 H new ATOM 541 N LEU A 34 -1.671 -6.501 -7.105 1.00 0.00 N ATOM 542 CA LEU A 34 -2.424 -5.216 -7.207 1.00 0.00 C ATOM 543 C LEU A 34 -3.922 -5.496 -7.248 1.00 0.00 C ATOM 544 O LEU A 34 -4.715 -4.787 -6.679 1.00 0.00 O ATOM 545 CB LEU A 34 -2.031 -4.514 -8.499 1.00 0.00 C ATOM 546 CG LEU A 34 -0.589 -4.021 -8.400 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.169 -3.402 -9.734 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.487 -2.969 -7.296 1.00 0.00 C ATOM 0 H LEU A 34 -1.165 -6.772 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.189 -4.593 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.134 -5.198 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.700 -3.674 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 34 0.067 -4.859 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.860 -3.050 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.243 -4.151 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.824 -2.563 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.542 -2.616 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.143 -2.131 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.787 -3.409 -6.345 1.00 0.00 H new ATOM 560 N ASP A 35 -4.303 -6.517 -7.942 1.00 0.00 N ATOM 561 CA ASP A 35 -5.743 -6.867 -8.056 1.00 0.00 C ATOM 562 C ASP A 35 -6.327 -7.154 -6.674 1.00 0.00 C ATOM 563 O ASP A 35 -7.468 -6.841 -6.389 1.00 0.00 O ATOM 564 CB ASP A 35 -5.859 -8.129 -8.897 1.00 0.00 C ATOM 565 CG ASP A 35 -5.589 -7.799 -10.366 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.973 -6.777 -10.619 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.002 -8.574 -11.212 1.00 0.00 O ATOM 0 H ASP A 35 -3.671 -7.139 -8.446 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.284 -6.037 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.148 -8.877 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.855 -8.559 -8.788 1.00 0.00 H new ATOM 572 N ALA A 36 -5.556 -7.757 -5.816 1.00 0.00 N ATOM 573 CA ALA A 36 -6.074 -8.078 -4.455 1.00 0.00 C ATOM 574 C ALA A 36 -6.006 -6.830 -3.599 1.00 0.00 C ATOM 575 O ALA A 36 -6.983 -6.401 -3.019 1.00 0.00 O ATOM 576 CB ALA A 36 -5.221 -9.167 -3.812 1.00 0.00 C ATOM 0 H ALA A 36 -4.593 -8.042 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.103 -8.430 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.608 -9.393 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.254 -10.066 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.191 -8.821 -3.730 1.00 0.00 H new ATOM 582 N LEU A 37 -4.854 -6.236 -3.537 1.00 0.00 N ATOM 583 CA LEU A 37 -4.700 -4.995 -2.742 1.00 0.00 C ATOM 584 C LEU A 37 -5.891 -4.096 -3.056 1.00 0.00 C ATOM 585 O LEU A 37 -6.581 -3.601 -2.184 1.00 0.00 O ATOM 586 CB LEU A 37 -3.405 -4.303 -3.166 1.00 0.00 C ATOM 587 CG LEU A 37 -3.456 -2.828 -2.765 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.484 -2.713 -1.240 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.224 -2.105 -3.311 1.00 0.00 C ATOM 0 H LEU A 37 -4.007 -6.559 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.661 -5.210 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.550 -4.789 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.269 -4.393 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.355 -2.372 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.520 -1.662 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.365 -3.225 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.587 -3.171 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.262 -1.054 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.323 -2.561 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.208 -2.184 -4.398 1.00 0.00 H new ATOM 601 N TRP A 38 -6.130 -3.901 -4.314 1.00 0.00 N ATOM 602 CA TRP A 38 -7.261 -3.065 -4.741 1.00 0.00 C ATOM 603 C TRP A 38 -8.533 -3.660 -4.191 1.00 0.00 C ATOM 604 O TRP A 38 -9.293 -3.016 -3.501 1.00 0.00 O ATOM 605 CB TRP A 38 -7.361 -3.065 -6.262 1.00 0.00 C ATOM 606 CG TRP A 38 -8.500 -2.195 -6.643 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.782 -2.589 -6.693 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.484 -0.792 -6.989 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.568 -1.510 -7.064 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.805 -0.373 -7.256 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.456 0.144 -7.098 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.089 0.944 -7.618 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.726 1.459 -7.454 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.042 1.869 -7.715 1.00 0.00 C ATOM 0 H TRP A 38 -5.576 -4.295 -5.075 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.114 -2.047 -4.379 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.435 -2.698 -6.705 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.513 -4.078 -6.635 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.142 -3.584 -6.479 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.581 -1.549 -7.181 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.437 -0.157 -6.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.105 1.247 -7.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.917 2.171 -7.530 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.247 2.893 -7.989 1.00 0.00 H new ATOM 625 N ASP A 39 -8.761 -4.897 -4.497 1.00 0.00 N ATOM 626 CA ASP A 39 -9.984 -5.567 -3.999 1.00 0.00 C ATOM 627 C ASP A 39 -10.172 -5.199 -2.530 1.00 0.00 C ATOM 628 O ASP A 39 -11.273 -5.178 -2.016 1.00 0.00 O ATOM 629 CB ASP A 39 -9.832 -7.079 -4.139 1.00 0.00 C ATOM 630 CG ASP A 39 -10.485 -7.541 -5.443 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.816 -7.505 -6.462 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.643 -7.924 -5.399 1.00 0.00 O ATOM 0 H ASP A 39 -8.151 -5.477 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.851 -5.246 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.776 -7.351 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.296 -7.582 -3.290 1.00 0.00 H new ATOM 637 N CYS A 40 -9.096 -4.898 -1.852 1.00 0.00 N ATOM 638 CA CYS A 40 -9.202 -4.521 -0.422 1.00 0.00 C ATOM 639 C CYS A 40 -9.612 -3.048 -0.299 1.00 0.00 C ATOM 640 O CYS A 40 -10.518 -2.711 0.435 1.00 0.00 O ATOM 641 CB CYS A 40 -7.847 -4.732 0.251 1.00 0.00 C ATOM 642 SG CYS A 40 -7.371 -6.473 0.117 1.00 0.00 S ATOM 0 H CYS A 40 -8.149 -4.898 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.957 -5.141 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.093 -4.101 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.900 -4.438 1.299 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.135 -6.764 -1.128 1.00 0.00 H new ATOM 648 N LEU A 41 -8.947 -2.164 -1.000 1.00 0.00 N ATOM 649 CA LEU A 41 -9.288 -0.725 -0.904 1.00 0.00 C ATOM 650 C LEU A 41 -10.751 -0.485 -1.292 1.00 0.00 C ATOM 651 O LEU A 41 -11.483 0.195 -0.600 1.00 0.00 O ATOM 652 CB LEU A 41 -8.380 0.054 -1.853 1.00 0.00 C ATOM 653 CG LEU A 41 -6.940 -0.447 -1.715 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.013 0.468 -2.501 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.535 -0.445 -0.240 1.00 0.00 C ATOM 0 H LEU A 41 -8.180 -2.385 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.146 -0.392 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.721 -0.069 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.428 1.119 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.867 -1.462 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.986 0.115 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.302 0.463 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.086 1.483 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.510 -0.802 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.605 0.568 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.201 -1.100 0.321 1.00 0.00 H new ATOM 667 N THR A 42 -11.173 -1.011 -2.407 1.00 0.00 N ATOM 668 CA THR A 42 -12.567 -0.792 -2.859 1.00 0.00 C ATOM 669 C THR A 42 -13.531 -1.738 -2.139 1.00 0.00 C ATOM 670 O THR A 42 -14.691 -1.825 -2.489 1.00 0.00 O ATOM 671 CB THR A 42 -12.651 -1.033 -4.368 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.314 -2.384 -4.649 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.677 -0.100 -5.089 1.00 0.00 C ATOM 0 H THR A 42 -10.604 -1.588 -3.027 1.00 0.00 H new ATOM 0 HA THR A 42 -12.852 0.234 -2.625 1.00 0.00 H new ATOM 0 HB THR A 42 -13.665 -0.833 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.595 -2.410 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.737 -0.272 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.937 0.936 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.662 -0.298 -4.746 1.00 0.00 H new ATOM 681 N GLY A 43 -13.081 -2.451 -1.141 1.00 0.00 N ATOM 682 CA GLY A 43 -14.020 -3.375 -0.438 1.00 0.00 C ATOM 683 C GLY A 43 -13.348 -4.033 0.770 1.00 0.00 C ATOM 684 O GLY A 43 -13.316 -5.242 0.884 1.00 0.00 O ATOM 0 H GLY A 43 -12.124 -2.436 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.901 -2.823 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.364 -4.144 -1.130 1.00 0.00 H new ATOM 688 N TRP A 44 -12.825 -3.258 1.682 1.00 0.00 N ATOM 689 CA TRP A 44 -12.179 -3.861 2.879 1.00 0.00 C ATOM 690 C TRP A 44 -11.608 -2.758 3.773 1.00 0.00 C ATOM 691 O TRP A 44 -12.052 -2.554 4.886 1.00 0.00 O ATOM 692 CB TRP A 44 -11.050 -4.787 2.432 1.00 0.00 C ATOM 693 CG TRP A 44 -10.457 -5.452 3.629 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.408 -4.977 4.335 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.859 -6.695 4.275 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.134 -5.851 5.373 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.003 -6.925 5.379 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.871 -7.636 4.013 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.147 -8.049 6.194 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.019 -8.768 4.831 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.158 -8.973 5.919 1.00 0.00 C ATOM 0 H TRP A 44 -12.818 -2.239 1.649 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.921 -4.429 3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.431 -5.535 1.737 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.286 -4.219 1.901 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.871 -4.064 4.124 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.383 -5.718 6.050 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.539 -7.487 3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.482 -8.203 7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.800 -9.484 4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.277 -9.845 6.544 1.00 0.00 H new ATOM 712 N VAL A 45 -10.620 -2.056 3.298 1.00 0.00 N ATOM 713 CA VAL A 45 -10.005 -0.977 4.110 1.00 0.00 C ATOM 714 C VAL A 45 -11.041 0.107 4.414 1.00 0.00 C ATOM 715 O VAL A 45 -11.924 0.374 3.623 1.00 0.00 O ATOM 716 CB VAL A 45 -8.841 -0.362 3.332 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.037 0.555 4.255 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.935 -1.478 2.804 1.00 0.00 C ATOM 0 H VAL A 45 -10.210 -2.186 2.373 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.643 -1.397 5.049 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.230 0.218 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.207 0.993 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.682 1.349 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.648 -0.023 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.105 -1.041 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.547 -2.058 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.508 -2.131 2.145 1.00 0.00 H new ATOM 728 N GLU A 46 -10.935 0.741 5.551 1.00 0.00 N ATOM 729 CA GLU A 46 -11.909 1.814 5.897 1.00 0.00 C ATOM 730 C GLU A 46 -11.291 3.175 5.576 1.00 0.00 C ATOM 731 O GLU A 46 -10.147 3.438 5.888 1.00 0.00 O ATOM 732 CB GLU A 46 -12.247 1.749 7.386 1.00 0.00 C ATOM 733 CG GLU A 46 -13.487 0.876 7.591 1.00 0.00 C ATOM 734 CD GLU A 46 -14.611 1.720 8.196 1.00 0.00 C ATOM 735 OE1 GLU A 46 -14.473 2.122 9.339 1.00 0.00 O ATOM 736 OE2 GLU A 46 -15.590 1.949 7.505 1.00 0.00 O ATOM 0 H GLU A 46 -10.217 0.562 6.253 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.821 1.675 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.405 1.339 7.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.427 2.752 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.808 0.452 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.251 0.040 8.249 1.00 0.00 H new ATOM 743 N TYR A 47 -12.043 4.036 4.952 1.00 0.00 N ATOM 744 CA TYR A 47 -11.514 5.384 4.594 1.00 0.00 C ATOM 745 C TYR A 47 -12.335 6.452 5.331 1.00 0.00 C ATOM 746 O TYR A 47 -13.359 6.134 5.901 1.00 0.00 O ATOM 747 CB TYR A 47 -11.633 5.555 3.073 1.00 0.00 C ATOM 748 CG TYR A 47 -10.665 4.620 2.373 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.602 4.035 3.077 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.832 4.334 1.014 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.718 3.171 2.425 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.945 3.472 0.365 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.888 2.890 1.070 1.00 0.00 C ATOM 754 OH TYR A 47 -8.016 2.034 0.429 1.00 0.00 O ATOM 0 H TYR A 47 -13.009 3.864 4.672 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.469 5.489 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.653 5.343 2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.420 6.588 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.466 4.253 4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.648 4.780 0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.902 2.721 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.076 3.255 -0.685 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.100 2.369 0.524 1.00 0.00 H new ATOM 764 N PRO A 48 -11.873 7.688 5.324 1.00 0.00 N ATOM 765 CA PRO A 48 -10.627 8.120 4.641 1.00 0.00 C ATOM 766 C PRO A 48 -9.389 7.409 5.197 1.00 0.00 C ATOM 767 O PRO A 48 -9.233 7.243 6.391 1.00 0.00 O ATOM 768 CB PRO A 48 -10.529 9.627 4.922 1.00 0.00 C ATOM 769 CG PRO A 48 -11.751 10.029 5.784 1.00 0.00 C ATOM 770 CD PRO A 48 -12.592 8.768 6.023 1.00 0.00 C ATOM 0 HA PRO A 48 -10.662 7.881 3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.601 9.858 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.518 10.190 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.425 10.456 6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.342 10.792 5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.687 8.554 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.602 8.888 5.631 1.00 0.00 H new ATOM 778 N LEU A 49 -8.503 6.998 4.328 1.00 0.00 N ATOM 779 CA LEU A 49 -7.260 6.307 4.777 1.00 0.00 C ATOM 780 C LEU A 49 -6.060 7.186 4.437 1.00 0.00 C ATOM 781 O LEU A 49 -6.100 7.973 3.519 1.00 0.00 O ATOM 782 CB LEU A 49 -7.130 4.965 4.029 1.00 0.00 C ATOM 783 CG LEU A 49 -5.655 4.545 3.893 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.106 4.115 5.254 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.542 3.382 2.904 1.00 0.00 C ATOM 0 H LEU A 49 -8.589 7.113 3.318 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.300 6.127 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.683 4.193 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.579 5.052 3.040 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.076 5.392 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.062 3.820 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.179 4.947 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.685 3.272 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.497 3.086 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.127 2.537 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.921 3.694 1.931 1.00 0.00 H new ATOM 797 N VAL A 50 -4.977 7.021 5.135 1.00 0.00 N ATOM 798 CA VAL A 50 -3.767 7.810 4.802 1.00 0.00 C ATOM 799 C VAL A 50 -2.689 6.819 4.362 1.00 0.00 C ATOM 800 O VAL A 50 -2.482 5.801 4.990 1.00 0.00 O ATOM 801 CB VAL A 50 -3.297 8.621 6.031 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.853 8.257 6.412 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.357 10.114 5.701 1.00 0.00 C ATOM 0 H VAL A 50 -4.878 6.376 5.919 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.977 8.524 4.005 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.952 8.386 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.547 8.842 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.797 7.195 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.190 8.476 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.026 10.691 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.706 10.326 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.381 10.390 5.450 1.00 0.00 H new ATOM 813 N LEU A 51 -1.981 7.112 3.316 1.00 0.00 N ATOM 814 CA LEU A 51 -0.905 6.184 2.890 1.00 0.00 C ATOM 815 C LEU A 51 0.417 6.926 2.983 1.00 0.00 C ATOM 816 O LEU A 51 0.942 7.420 2.004 1.00 0.00 O ATOM 817 CB LEU A 51 -1.125 5.684 1.457 1.00 0.00 C ATOM 818 CG LEU A 51 0.015 4.729 1.093 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.071 3.483 1.971 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.098 4.305 -0.369 1.00 0.00 C ATOM 0 H LEU A 51 -2.098 7.946 2.741 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.907 5.309 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.085 5.175 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.151 6.524 0.763 1.00 0.00 H new ATOM 0 HG LEU A 51 0.965 5.240 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.739 2.801 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.014 3.770 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.028 2.988 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.718 3.626 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.051 3.800 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.043 5.186 -1.009 1.00 0.00 H new ATOM 832 N GLU A 52 0.954 7.013 4.163 1.00 0.00 N ATOM 833 CA GLU A 52 2.238 7.725 4.343 1.00 0.00 C ATOM 834 C GLU A 52 3.357 6.809 3.859 1.00 0.00 C ATOM 835 O GLU A 52 3.972 6.085 4.620 1.00 0.00 O ATOM 836 CB GLU A 52 2.420 8.059 5.824 1.00 0.00 C ATOM 837 CG GLU A 52 3.808 8.661 6.049 1.00 0.00 C ATOM 838 CD GLU A 52 3.834 9.399 7.389 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.912 9.209 8.165 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.774 10.142 7.617 1.00 0.00 O ATOM 0 H GLU A 52 0.554 6.618 5.014 1.00 0.00 H new ATOM 0 HA GLU A 52 2.254 8.654 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.651 8.762 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.301 7.159 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.563 7.875 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.054 9.348 5.239 1.00 0.00 H new ATOM 847 N TRP A 53 3.602 6.826 2.579 1.00 0.00 N ATOM 848 CA TRP A 53 4.657 5.957 2.005 1.00 0.00 C ATOM 849 C TRP A 53 6.034 6.504 2.383 1.00 0.00 C ATOM 850 O TRP A 53 6.463 7.527 1.890 1.00 0.00 O ATOM 851 CB TRP A 53 4.513 5.930 0.485 1.00 0.00 C ATOM 852 CG TRP A 53 5.082 4.655 -0.034 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.375 4.282 0.090 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.409 3.579 -0.751 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.543 3.047 -0.505 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.362 2.573 -1.037 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.080 3.376 -1.178 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.015 1.412 -1.720 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.729 2.202 -1.870 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.697 1.224 -2.139 1.00 0.00 C ATOM 0 H TRP A 53 3.110 7.411 1.903 1.00 0.00 H new ATOM 0 HA TRP A 53 4.554 4.946 2.399 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.463 6.015 0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.031 6.781 0.043 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.150 4.856 0.575 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.431 2.547 -0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.329 4.125 -0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.762 0.659 -1.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.710 2.054 -2.195 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.423 0.325 -2.671 1.00 0.00 H new ATOM 871 N ARG A 54 6.727 5.831 3.259 1.00 0.00 N ATOM 872 CA ARG A 54 8.074 6.315 3.673 1.00 0.00 C ATOM 873 C ARG A 54 9.151 5.646 2.816 1.00 0.00 C ATOM 874 O ARG A 54 9.202 4.438 2.696 1.00 0.00 O ATOM 875 CB ARG A 54 8.307 5.966 5.144 1.00 0.00 C ATOM 876 CG ARG A 54 8.924 7.166 5.864 1.00 0.00 C ATOM 877 CD ARG A 54 8.789 6.979 7.376 1.00 0.00 C ATOM 878 NE ARG A 54 9.194 8.234 8.070 1.00 0.00 N ATOM 879 CZ ARG A 54 8.886 8.418 9.326 1.00 0.00 C ATOM 880 NH1 ARG A 54 8.189 7.520 9.970 1.00 0.00 N ATOM 881 NH2 ARG A 54 9.274 9.502 9.939 1.00 0.00 N ATOM 0 H ARG A 54 6.419 4.967 3.706 1.00 0.00 H new ATOM 0 HA ARG A 54 8.126 7.395 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.364 5.691 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.967 5.102 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.975 7.266 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.426 8.085 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.760 6.725 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.414 6.150 7.708 1.00 0.00 H new ATOM 0 HE ARG A 54 9.713 8.951 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.884 6.672 9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.950 7.667 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.817 10.205 9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.034 9.647 10.920 1.00 0.00 H new ATOM 895 N GLN A 55 10.018 6.424 2.228 1.00 0.00 N ATOM 896 CA GLN A 55 11.101 5.839 1.387 1.00 0.00 C ATOM 897 C GLN A 55 10.536 5.392 0.036 1.00 0.00 C ATOM 898 O GLN A 55 10.926 4.374 -0.501 1.00 0.00 O ATOM 899 CB GLN A 55 11.710 4.634 2.107 1.00 0.00 C ATOM 900 CG GLN A 55 13.219 4.836 2.254 1.00 0.00 C ATOM 901 CD GLN A 55 13.488 6.074 3.110 1.00 0.00 C ATOM 902 OE1 GLN A 55 13.631 7.165 2.595 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.563 5.951 4.408 1.00 0.00 N ATOM 0 H GLN A 55 10.023 7.442 2.294 1.00 0.00 H new ATOM 0 HA GLN A 55 11.868 6.595 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.251 4.513 3.088 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.508 3.721 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.671 3.957 2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.678 4.953 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.443 5.035 4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.741 6.771 4.988 1.00 0.00 H new ATOM 912 N PHE A 56 9.628 6.144 -0.525 1.00 0.00 N ATOM 913 CA PHE A 56 9.057 5.752 -1.845 1.00 0.00 C ATOM 914 C PHE A 56 10.186 5.665 -2.870 1.00 0.00 C ATOM 915 O PHE A 56 11.195 6.328 -2.741 1.00 0.00 O ATOM 916 CB PHE A 56 8.049 6.802 -2.303 1.00 0.00 C ATOM 917 CG PHE A 56 7.228 6.246 -3.443 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.131 5.417 -3.181 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.567 6.560 -4.765 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.373 4.902 -4.240 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.810 6.046 -5.824 1.00 0.00 C ATOM 922 CZ PHE A 56 5.713 5.217 -5.561 1.00 0.00 C ATOM 0 H PHE A 56 9.259 7.008 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 56 8.559 4.787 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.398 7.083 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.568 7.706 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.869 5.174 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.413 7.199 -4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.527 4.262 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.072 6.289 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.129 4.820 -6.378 1.00 0.00 H new ATOM 932 N GLU A 57 10.020 4.848 -3.880 1.00 0.00 N ATOM 933 CA GLU A 57 11.081 4.697 -4.921 1.00 0.00 C ATOM 934 C GLU A 57 12.120 3.694 -4.423 1.00 0.00 C ATOM 935 O GLU A 57 12.495 2.773 -5.121 1.00 0.00 O ATOM 936 CB GLU A 57 11.759 6.041 -5.182 1.00 0.00 C ATOM 937 CG GLU A 57 11.938 6.243 -6.688 1.00 0.00 C ATOM 938 CD GLU A 57 13.376 6.680 -6.976 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.884 7.502 -6.231 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.944 6.185 -7.935 1.00 0.00 O ATOM 0 H GLU A 57 9.189 4.276 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 57 10.630 4.344 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.158 6.850 -4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.728 6.074 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.714 5.318 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.238 6.996 -7.051 1.00 0.00 H new ATOM 947 N GLN A 58 12.578 3.858 -3.212 1.00 0.00 N ATOM 948 CA GLN A 58 13.573 2.912 -2.660 1.00 0.00 C ATOM 949 C GLN A 58 12.900 1.552 -2.522 1.00 0.00 C ATOM 950 O GLN A 58 13.461 0.528 -2.856 1.00 0.00 O ATOM 951 CB GLN A 58 14.043 3.397 -1.287 1.00 0.00 C ATOM 952 CG GLN A 58 14.828 4.700 -1.446 1.00 0.00 C ATOM 953 CD GLN A 58 15.954 4.746 -0.412 1.00 0.00 C ATOM 954 OE1 GLN A 58 15.768 4.357 0.724 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.124 5.209 -0.759 1.00 0.00 N ATOM 0 H GLN A 58 12.301 4.612 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 58 14.438 2.844 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.186 3.554 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.669 2.639 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.241 4.768 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.165 5.555 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.281 5.536 -1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.881 5.244 -0.077 1.00 0.00 H new ATOM 964 N SER A 59 11.684 1.544 -2.049 1.00 0.00 N ATOM 965 CA SER A 59 10.951 0.262 -1.907 1.00 0.00 C ATOM 966 C SER A 59 10.437 -0.165 -3.283 1.00 0.00 C ATOM 967 O SER A 59 9.831 -1.207 -3.435 1.00 0.00 O ATOM 968 CB SER A 59 9.772 0.446 -0.953 1.00 0.00 C ATOM 969 OG SER A 59 10.057 -0.208 0.275 1.00 0.00 O ATOM 0 H SER A 59 11.168 2.374 -1.755 1.00 0.00 H new ATOM 0 HA SER A 59 11.616 -0.502 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.591 1.507 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.864 0.036 -1.395 1.00 0.00 H new ATOM 0 HG SER A 59 10.041 -1.179 0.140 1.00 0.00 H new ATOM 975 N LYS A 60 10.680 0.631 -4.292 1.00 0.00 N ATOM 976 CA LYS A 60 10.216 0.264 -5.657 1.00 0.00 C ATOM 977 C LYS A 60 11.338 -0.486 -6.378 1.00 0.00 C ATOM 978 O LYS A 60 11.120 -1.142 -7.377 1.00 0.00 O ATOM 979 CB LYS A 60 9.867 1.535 -6.436 1.00 0.00 C ATOM 980 CG LYS A 60 9.395 1.162 -7.843 1.00 0.00 C ATOM 981 CD LYS A 60 10.491 1.500 -8.857 1.00 0.00 C ATOM 982 CE LYS A 60 10.820 2.992 -8.778 1.00 0.00 C ATOM 983 NZ LYS A 60 10.503 3.642 -10.081 1.00 0.00 N ATOM 0 H LYS A 60 11.180 1.518 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 60 9.332 -0.370 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.087 2.090 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.738 2.188 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.158 0.099 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.481 1.703 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.384 0.909 -8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.161 1.243 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.247 3.460 -7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.874 3.130 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.727 4.656 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.069 3.203 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.492 3.522 -10.292 1.00 0.00 H new ATOM 997 N GLN A 61 12.543 -0.379 -5.883 1.00 0.00 N ATOM 998 CA GLN A 61 13.685 -1.066 -6.537 1.00 0.00 C ATOM 999 C GLN A 61 13.792 -2.519 -6.059 1.00 0.00 C ATOM 1000 O GLN A 61 13.752 -3.444 -6.846 1.00 0.00 O ATOM 1001 CB GLN A 61 14.982 -0.329 -6.200 1.00 0.00 C ATOM 1002 CG GLN A 61 14.753 1.181 -6.296 1.00 0.00 C ATOM 1003 CD GLN A 61 16.058 1.870 -6.697 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.132 1.367 -6.430 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.012 3.010 -7.331 1.00 0.00 N ATOM 0 H GLN A 61 12.782 0.158 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 61 13.520 -1.063 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.312 -0.594 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.773 -0.632 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.976 1.396 -7.029 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.404 1.568 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.111 3.433 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.877 3.478 -7.602 1.00 0.00 H new ATOM 1014 N LEU A 62 13.956 -2.718 -4.778 1.00 0.00 N ATOM 1015 CA LEU A 62 14.100 -4.112 -4.237 1.00 0.00 C ATOM 1016 C LEU A 62 13.125 -5.035 -4.966 1.00 0.00 C ATOM 1017 O LEU A 62 13.365 -6.216 -5.118 1.00 0.00 O ATOM 1018 CB LEU A 62 13.775 -4.179 -2.731 1.00 0.00 C ATOM 1019 CG LEU A 62 13.307 -2.825 -2.206 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.016 -2.441 -2.926 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.039 -2.930 -0.703 1.00 0.00 C ATOM 0 H LEU A 62 13.997 -1.978 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 62 15.135 -4.419 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.001 -4.927 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.659 -4.500 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 62 14.072 -2.070 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.669 -1.474 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.202 -2.378 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.254 -3.196 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.704 -1.964 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.267 -3.678 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.955 -3.223 -0.190 1.00 0.00 H new ATOM 1033 N THR A 63 12.022 -4.502 -5.410 1.00 0.00 N ATOM 1034 CA THR A 63 11.022 -5.340 -6.120 1.00 0.00 C ATOM 1035 C THR A 63 10.613 -4.638 -7.419 1.00 0.00 C ATOM 1036 O THR A 63 9.468 -4.293 -7.608 1.00 0.00 O ATOM 1037 CB THR A 63 9.798 -5.560 -5.212 1.00 0.00 C ATOM 1038 OG1 THR A 63 8.623 -5.650 -6.005 1.00 0.00 O ATOM 1039 CG2 THR A 63 9.660 -4.398 -4.218 1.00 0.00 C ATOM 0 H THR A 63 11.771 -3.518 -5.311 1.00 0.00 H new ATOM 0 HA THR A 63 11.451 -6.312 -6.363 1.00 0.00 H new ATOM 0 HB THR A 63 9.934 -6.488 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.702 -5.051 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.791 -4.565 -3.581 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.556 -4.339 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.535 -3.464 -4.765 1.00 0.00 H new ATOM 1047 N GLU A 64 11.567 -4.434 -8.304 1.00 0.00 N ATOM 1048 CA GLU A 64 11.317 -3.758 -9.625 1.00 0.00 C ATOM 1049 C GLU A 64 9.832 -3.436 -9.830 1.00 0.00 C ATOM 1050 O GLU A 64 9.003 -4.319 -9.929 1.00 0.00 O ATOM 1051 CB GLU A 64 11.787 -4.685 -10.747 1.00 0.00 C ATOM 1052 CG GLU A 64 11.522 -4.028 -12.103 1.00 0.00 C ATOM 1053 CD GLU A 64 11.469 -5.104 -13.189 1.00 0.00 C ATOM 1054 OE1 GLU A 64 12.517 -5.436 -13.719 1.00 0.00 O ATOM 1055 OE2 GLU A 64 10.381 -5.578 -13.472 1.00 0.00 O ATOM 0 H GLU A 64 12.537 -4.717 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 64 11.868 -2.817 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.851 -4.896 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.264 -5.640 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.581 -3.478 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.307 -3.306 -12.329 1.00 0.00 H new ATOM 1062 N ASN A 65 9.492 -2.177 -9.891 1.00 0.00 N ATOM 1063 CA ASN A 65 8.063 -1.798 -10.085 1.00 0.00 C ATOM 1064 C ASN A 65 7.215 -2.439 -8.987 1.00 0.00 C ATOM 1065 O ASN A 65 6.070 -2.789 -9.195 1.00 0.00 O ATOM 1066 CB ASN A 65 7.584 -2.290 -11.452 1.00 0.00 C ATOM 1067 CG ASN A 65 6.424 -1.417 -11.931 1.00 0.00 C ATOM 1068 OD1 ASN A 65 5.721 -0.749 -11.056 1.00 0.00 O flip ATOM 1069 ND2 ASN A 65 6.152 -1.340 -13.113 1.00 0.00 N flip ATOM 0 H ASN A 65 10.142 -1.395 -9.815 1.00 0.00 H new ATOM 0 HA ASN A 65 7.965 -0.714 -10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.402 -2.252 -12.171 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.266 -3.331 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.700 -1.861 -13.797 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.376 -0.754 -13.421 1.00 0.00 H new ATOM 1076 N GLY A 66 7.772 -2.601 -7.819 1.00 0.00 N ATOM 1077 CA GLY A 66 7.006 -3.225 -6.704 1.00 0.00 C ATOM 1078 C GLY A 66 6.082 -2.186 -6.071 1.00 0.00 C ATOM 1079 O GLY A 66 4.873 -2.293 -6.131 1.00 0.00 O ATOM 0 H GLY A 66 8.727 -2.327 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.422 -4.066 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.692 -3.620 -5.955 1.00 0.00 H new ATOM 1083 N ALA A 67 6.645 -1.189 -5.451 1.00 0.00 N ATOM 1084 CA ALA A 67 5.820 -0.146 -4.796 1.00 0.00 C ATOM 1085 C ALA A 67 5.032 0.649 -5.842 1.00 0.00 C ATOM 1086 O ALA A 67 3.828 0.759 -5.766 1.00 0.00 O ATOM 1087 CB ALA A 67 6.739 0.802 -4.027 1.00 0.00 C ATOM 0 H ALA A 67 7.653 -1.053 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 67 5.115 -0.623 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.142 1.573 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.291 0.241 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.441 1.268 -4.718 1.00 0.00 H new ATOM 1093 N GLU A 68 5.712 1.216 -6.801 1.00 0.00 N ATOM 1094 CA GLU A 68 5.030 2.029 -7.853 1.00 0.00 C ATOM 1095 C GLU A 68 3.655 1.447 -8.203 1.00 0.00 C ATOM 1096 O GLU A 68 2.752 2.161 -8.591 1.00 0.00 O ATOM 1097 CB GLU A 68 5.902 2.033 -9.107 1.00 0.00 C ATOM 1098 CG GLU A 68 6.315 3.465 -9.425 1.00 0.00 C ATOM 1099 CD GLU A 68 6.347 3.667 -10.941 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.244 3.131 -11.572 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.474 4.353 -11.446 1.00 0.00 O ATOM 0 H GLU A 68 6.725 1.150 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 68 4.886 3.041 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.785 1.413 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.355 1.605 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.615 4.165 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.297 3.674 -9.000 1.00 0.00 H new ATOM 1108 N SER A 69 3.493 0.160 -8.092 1.00 0.00 N ATOM 1109 CA SER A 69 2.181 -0.459 -8.444 1.00 0.00 C ATOM 1110 C SER A 69 1.174 -0.296 -7.297 1.00 0.00 C ATOM 1111 O SER A 69 0.104 0.264 -7.469 1.00 0.00 O ATOM 1112 CB SER A 69 2.388 -1.947 -8.726 1.00 0.00 C ATOM 1113 OG SER A 69 2.488 -2.150 -10.129 1.00 0.00 O ATOM 0 H SER A 69 4.210 -0.492 -7.773 1.00 0.00 H new ATOM 0 HA SER A 69 1.785 0.042 -9.327 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.292 -2.300 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.557 -2.525 -8.322 1.00 0.00 H new ATOM 0 HG SER A 69 1.747 -1.693 -10.579 1.00 0.00 H new ATOM 1119 N VAL A 70 1.495 -0.786 -6.130 1.00 0.00 N ATOM 1120 CA VAL A 70 0.547 -0.664 -4.991 1.00 0.00 C ATOM 1121 C VAL A 70 0.115 0.789 -4.868 1.00 0.00 C ATOM 1122 O VAL A 70 -1.039 1.091 -4.648 1.00 0.00 O ATOM 1123 CB VAL A 70 1.238 -1.109 -3.705 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.357 -0.762 -2.505 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.466 -2.620 -3.747 1.00 0.00 C ATOM 0 H VAL A 70 2.371 -1.264 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.326 -1.294 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 70 2.196 -0.597 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.851 -1.080 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.192 0.315 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.601 -1.273 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.960 -2.939 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.507 -3.130 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.094 -2.870 -4.602 1.00 0.00 H new ATOM 1135 N LEU A 71 1.036 1.692 -5.027 1.00 0.00 N ATOM 1136 CA LEU A 71 0.684 3.132 -4.940 1.00 0.00 C ATOM 1137 C LEU A 71 -0.301 3.453 -6.054 1.00 0.00 C ATOM 1138 O LEU A 71 -1.245 4.179 -5.865 1.00 0.00 O ATOM 1139 CB LEU A 71 1.934 3.977 -5.128 1.00 0.00 C ATOM 1140 CG LEU A 71 1.538 5.449 -5.255 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.059 5.969 -3.898 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.749 6.265 -5.714 1.00 0.00 C ATOM 0 H LEU A 71 2.019 1.495 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 71 0.245 3.348 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.608 3.842 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.473 3.656 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 71 0.735 5.546 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.777 7.018 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.197 5.389 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.862 5.871 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.468 7.314 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.552 6.167 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.091 5.896 -6.681 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.088 2.905 -7.217 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.024 3.165 -8.344 1.00 0.00 C ATOM 1156 C GLN A 72 -2.418 2.732 -7.919 1.00 0.00 C ATOM 1157 O GLN A 72 -3.411 3.318 -8.295 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.553 2.369 -9.582 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.609 1.350 -10.042 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.029 0.482 -11.159 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.077 0.864 -11.809 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.567 -0.680 -11.411 1.00 0.00 N ATOM 0 H GLN A 72 0.694 2.288 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.042 4.224 -8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.335 3.060 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.376 1.849 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.916 0.725 -9.203 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.500 1.869 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.367 -1.001 -10.865 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.188 -1.267 -12.154 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.489 1.694 -7.152 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.797 1.192 -6.700 1.00 0.00 C ATOM 1173 C VAL A 73 -4.323 2.070 -5.562 1.00 0.00 C ATOM 1174 O VAL A 73 -5.512 2.218 -5.385 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.613 -0.238 -6.214 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.870 -0.705 -5.485 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.316 -1.140 -7.421 1.00 0.00 C ATOM 0 H VAL A 73 -1.684 1.166 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.517 1.219 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.778 -0.290 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.731 -1.730 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.057 -0.056 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.721 -0.663 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.182 -2.168 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.149 -1.094 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.406 -0.799 -7.915 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.453 2.646 -4.783 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.934 3.507 -3.663 1.00 0.00 C ATOM 1189 C PHE A 74 -4.462 4.834 -4.224 1.00 0.00 C ATOM 1190 O PHE A 74 -5.450 5.370 -3.759 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.786 3.771 -2.682 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.856 2.767 -1.558 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.856 2.874 -0.586 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.923 1.726 -1.492 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.925 1.938 0.453 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.991 0.791 -0.452 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.992 0.897 0.520 1.00 0.00 C ATOM 0 H PHE A 74 -2.440 2.561 -4.869 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.740 2.997 -3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.828 3.694 -3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.855 4.784 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.575 3.678 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.151 1.644 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.698 2.019 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.271 -0.012 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.045 0.175 1.322 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.821 5.358 -5.231 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.279 6.631 -5.834 1.00 0.00 C ATOM 1209 C ARG A 75 -5.483 6.342 -6.710 1.00 0.00 C ATOM 1210 O ARG A 75 -6.465 7.044 -6.679 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.164 7.209 -6.689 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.749 8.579 -6.150 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.263 9.454 -7.308 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.158 10.872 -6.858 1.00 0.00 N ATOM 1215 CZ ARG A 75 -3.032 11.362 -6.020 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -4.150 11.867 -6.465 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.787 11.346 -4.739 1.00 0.00 N ATOM 0 H ARG A 75 -2.991 4.951 -5.663 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.544 7.344 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.308 6.534 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.498 7.301 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.591 9.055 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.958 8.466 -5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.294 9.102 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.954 9.379 -8.148 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.401 11.461 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.341 11.879 -7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.833 12.250 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.913 10.951 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.469 11.729 -4.084 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.406 5.296 -7.481 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.536 4.911 -8.355 1.00 0.00 C ATOM 1233 C GLU A 76 -7.761 4.699 -7.472 1.00 0.00 C ATOM 1234 O GLU A 76 -8.836 5.196 -7.745 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.148 3.611 -9.041 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.371 3.883 -10.338 1.00 0.00 C ATOM 1237 CD GLU A 76 -4.631 5.225 -10.264 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -5.238 6.232 -10.588 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -3.472 5.219 -9.884 1.00 0.00 O ATOM 0 H GLU A 76 -4.592 4.684 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.760 5.673 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.539 3.008 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.044 3.032 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.657 3.079 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.059 3.889 -11.184 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.592 3.990 -6.387 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.724 3.784 -5.462 1.00 0.00 C ATOM 1248 C ALA A 77 -9.104 5.160 -4.938 1.00 0.00 C ATOM 1249 O ALA A 77 -10.264 5.484 -4.783 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.313 2.871 -4.301 1.00 0.00 C ATOM 0 H ALA A 77 -6.716 3.548 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.562 3.305 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.161 2.731 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.997 1.904 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.489 3.328 -3.753 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.121 5.998 -4.709 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.425 7.377 -4.249 1.00 0.00 C ATOM 1258 C LYS A 78 -9.295 8.026 -5.317 1.00 0.00 C ATOM 1259 O LYS A 78 -10.118 8.881 -5.057 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.124 8.159 -4.146 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.161 9.072 -2.919 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.008 10.076 -2.993 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.520 11.401 -3.562 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.203 12.504 -2.612 1.00 0.00 N ATOM 0 H LYS A 78 -7.130 5.783 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.926 7.365 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.281 7.472 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.974 8.753 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.114 9.599 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.082 8.478 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.585 10.233 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.209 9.683 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.058 11.596 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.596 11.347 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.551 13.405 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.663 12.318 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.173 12.560 -2.476 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.088 7.603 -6.528 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.842 8.134 -7.678 1.00 0.00 C ATOM 1280 C ALA A 79 -11.233 7.511 -7.692 1.00 0.00 C ATOM 1281 O ALA A 79 -12.188 8.084 -8.178 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.095 7.736 -8.948 1.00 0.00 C ATOM 0 H ALA A 79 -8.403 6.887 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.935 9.218 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.630 8.115 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.090 8.158 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.031 6.649 -9.007 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.338 6.325 -7.171 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.637 5.610 -7.146 1.00 0.00 C ATOM 1290 C GLU A 80 -13.553 6.148 -6.034 1.00 0.00 C ATOM 1291 O GLU A 80 -14.339 5.414 -5.468 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.363 4.126 -6.908 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.076 3.451 -8.249 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.075 2.314 -8.480 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.786 1.976 -7.547 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.111 1.799 -9.585 1.00 0.00 O ATOM 0 H GLU A 80 -10.562 5.812 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.145 5.764 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.514 4.003 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.221 3.657 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.147 4.180 -9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.058 3.061 -8.260 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.479 7.416 -5.721 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.366 7.972 -4.659 1.00 0.00 C ATOM 1305 C GLY A 81 -13.737 7.769 -3.277 1.00 0.00 C ATOM 1306 O GLY A 81 -13.966 8.540 -2.366 1.00 0.00 O ATOM 0 H GLY A 81 -12.845 8.087 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.534 9.034 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.340 7.484 -4.697 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.953 6.740 -3.107 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.325 6.499 -1.781 1.00 0.00 C ATOM 1312 C CYS A 82 -11.489 7.717 -1.378 1.00 0.00 C ATOM 1313 O CYS A 82 -11.019 8.463 -2.213 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.428 5.268 -1.869 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.433 3.773 -1.692 1.00 0.00 S ATOM 0 H CYS A 82 -12.721 6.058 -3.829 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.101 6.335 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.903 5.255 -2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.668 5.302 -1.088 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.982 3.061 -0.702 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.307 7.927 -0.102 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.510 9.098 0.356 1.00 0.00 C ATOM 1323 C ASP A 83 -9.177 8.624 0.942 1.00 0.00 C ATOM 1324 O ASP A 83 -8.919 8.773 2.121 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.299 9.847 1.428 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.728 11.256 1.595 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.624 11.370 2.102 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.404 12.197 1.213 1.00 0.00 O ATOM 0 H ASP A 83 -11.677 7.337 0.643 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.313 9.757 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.351 9.901 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.248 9.308 2.374 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.324 8.061 0.131 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.006 7.589 0.645 1.00 0.00 C ATOM 1335 C ILE A 84 -5.977 8.716 0.507 1.00 0.00 C ATOM 1336 O ILE A 84 -5.245 8.783 -0.460 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.536 6.387 -0.170 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.373 5.168 0.184 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.067 6.101 0.144 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.897 4.549 -1.107 1.00 0.00 C ATOM 0 H ILE A 84 -8.482 7.907 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.109 7.303 1.692 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.648 6.607 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.773 4.444 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.202 5.453 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.731 5.243 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.464 6.972 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.958 5.884 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.500 3.672 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.509 5.278 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.057 4.253 -1.736 1.00 0.00 H new ATOM 1352 N THR A 85 -5.908 9.594 1.465 1.00 0.00 N ATOM 1353 CA THR A 85 -4.920 10.705 1.386 1.00 0.00 C ATOM 1354 C THR A 85 -3.537 10.127 1.076 1.00 0.00 C ATOM 1355 O THR A 85 -2.828 9.680 1.957 1.00 0.00 O ATOM 1356 CB THR A 85 -4.877 11.446 2.725 1.00 0.00 C ATOM 1357 OG1 THR A 85 -6.088 12.166 2.905 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.696 12.417 2.736 1.00 0.00 C ATOM 0 H THR A 85 -6.493 9.591 2.301 1.00 0.00 H new ATOM 0 HA THR A 85 -5.211 11.400 0.598 1.00 0.00 H new ATOM 0 HB THR A 85 -4.759 10.726 3.535 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.063 12.640 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.667 12.944 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.768 11.862 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.810 13.138 1.927 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.149 10.130 -0.169 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.814 9.580 -0.536 1.00 0.00 C ATOM 1368 C ILE A 86 -0.720 10.508 -0.007 1.00 0.00 C ATOM 1369 O ILE A 86 -0.650 11.667 -0.366 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.706 9.478 -2.058 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.820 8.573 -2.588 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.347 8.886 -2.435 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.653 7.165 -2.014 1.00 0.00 C ATOM 0 H ILE A 86 -3.699 10.490 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.694 8.589 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.804 10.471 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.794 8.977 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.788 8.539 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.270 8.813 -3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.448 9.529 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.249 7.893 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.447 6.521 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.686 6.762 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.707 7.207 -0.926 1.00 0.00 H new ATOM 1385 N ILE A 87 0.136 10.010 0.844 1.00 0.00 N ATOM 1386 CA ILE A 87 1.222 10.869 1.392 1.00 0.00 C ATOM 1387 C ILE A 87 2.581 10.256 1.046 1.00 0.00 C ATOM 1388 O ILE A 87 3.123 9.462 1.789 1.00 0.00 O ATOM 1389 CB ILE A 87 1.074 10.969 2.911 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.202 11.745 3.248 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.283 11.701 3.496 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.492 11.626 4.745 1.00 0.00 C ATOM 0 H ILE A 87 0.130 9.048 1.182 1.00 0.00 H new ATOM 0 HA ILE A 87 1.154 11.866 0.956 1.00 0.00 H new ATOM 0 HB ILE A 87 1.016 9.967 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.087 12.793 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.041 11.354 2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.177 11.772 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.193 11.151 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.342 12.703 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.400 12.179 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.626 10.577 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.343 12.038 5.311 1.00 0.00 H new ATOM 1404 N LEU A 88 3.135 10.621 -0.078 1.00 0.00 N ATOM 1405 CA LEU A 88 4.459 10.063 -0.476 1.00 0.00 C ATOM 1406 C LEU A 88 5.573 10.901 0.155 1.00 0.00 C ATOM 1407 O LEU A 88 5.846 12.007 -0.268 1.00 0.00 O ATOM 1408 CB LEU A 88 4.592 10.106 -1.999 1.00 0.00 C ATOM 1409 CG LEU A 88 4.195 8.750 -2.585 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.802 8.851 -3.209 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.205 8.345 -3.660 1.00 0.00 C ATOM 0 H LEU A 88 2.727 11.282 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 88 4.538 9.032 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.956 10.891 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.617 10.349 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 88 4.185 8.001 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.519 7.885 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.081 9.141 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.812 9.600 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.923 7.379 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.214 9.094 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.198 8.273 -3.217 1.00 0.00 H new ATOM 1423 N SER A 89 6.220 10.385 1.164 1.00 0.00 N ATOM 1424 CA SER A 89 7.315 11.154 1.819 1.00 0.00 C ATOM 1425 C SER A 89 8.598 10.322 1.813 1.00 0.00 C ATOM 1426 O SER A 89 8.806 9.583 2.761 1.00 0.00 O ATOM 1427 CB SER A 89 6.921 11.474 3.262 1.00 0.00 C ATOM 1428 OG SER A 89 5.530 11.236 3.432 1.00 0.00 O ATOM 1429 OXT SER A 89 9.351 10.437 0.860 1.00 0.00 O ATOM 0 H SER A 89 6.037 9.464 1.563 1.00 0.00 H new ATOM 0 HA SER A 89 7.483 12.083 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.495 10.857 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.155 12.513 3.493 1.00 0.00 H new ATOM 0 HG SER A 89 5.274 11.438 4.356 1.00 0.00 H new TER 1435 SER A 89