USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 29:sc= 0.145 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00955 X(o=-0.0095,f=-0.14) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 27 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.25) USER MOD Single : A 28 MET CE :methyl -174:sc= 0 (180deg=-0.0435) USER MOD Single : A 29 ASN : amide:sc= -6.85! C(o=-6.8!,f=-22!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -134:sc= -0.23 (180deg=-1.35) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.0583 F(o=-0.79,f=-0.058) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.28! C(o=-2.3!,f=-11!) USER MOD Single : A 52 TYR OH : rot 105:sc= -2.43 USER MOD Single : A 53 GLN : amide:sc= -1.08 K(o=-1.1,f=-2) USER MOD Single : A 58 GLN : amide:sc= -0.546 K(o=-0.55,f=-1.8) USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 0.0723 (180deg=-0.0674) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0229 K(o=-0.023,f=-0.55) USER MOD Single : A 66 TYR OH : rot 80:sc= 0.0628 USER MOD Single : A 67 ASN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 29:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.921 -13.653 -2.578 1.00 0.00 N ATOM 2 CA GLY A 1 -4.965 -14.698 -1.569 1.00 0.00 C ATOM 3 C GLY A 1 -3.909 -15.770 -1.844 1.00 0.00 C ATOM 4 O GLY A 1 -3.009 -15.982 -1.032 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.647 -12.938 -2.369 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.982 -13.205 -2.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.102 -14.067 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.799 -14.264 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.955 -15.153 -1.555 1.00 0.00 H new ATOM 8 N SER A 2 -4.054 -16.418 -2.990 1.00 0.00 N ATOM 9 CA SER A 2 -3.123 -17.463 -3.382 1.00 0.00 C ATOM 10 C SER A 2 -1.722 -16.876 -3.562 1.00 0.00 C ATOM 11 O SER A 2 -1.571 -15.764 -4.067 1.00 0.00 O ATOM 12 CB SER A 2 -3.579 -18.153 -4.669 1.00 0.00 C ATOM 13 OG SER A 2 -3.115 -19.498 -4.747 1.00 0.00 O ATOM 0 H SER A 2 -4.802 -16.240 -3.660 1.00 0.00 H new ATOM 0 HA SER A 2 -3.097 -18.212 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.668 -18.142 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.213 -17.593 -5.530 1.00 0.00 H new ATOM 0 HG SER A 2 -3.429 -19.904 -5.582 1.00 0.00 H new ATOM 19 N SER A 3 -0.732 -17.648 -3.140 1.00 0.00 N ATOM 20 CA SER A 3 0.652 -17.218 -3.248 1.00 0.00 C ATOM 21 C SER A 3 1.375 -18.047 -4.312 1.00 0.00 C ATOM 22 O SER A 3 1.302 -19.275 -4.302 1.00 0.00 O ATOM 23 CB SER A 3 1.372 -17.335 -1.904 1.00 0.00 C ATOM 24 OG SER A 3 1.359 -18.669 -1.405 1.00 0.00 O ATOM 0 H SER A 3 -0.861 -18.570 -2.722 1.00 0.00 H new ATOM 0 HA SER A 3 0.662 -16.169 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.403 -17.000 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.898 -16.673 -1.180 1.00 0.00 H new ATOM 0 HG SER A 3 1.319 -19.298 -2.155 1.00 0.00 H new ATOM 30 N GLY A 4 2.057 -17.343 -5.203 1.00 0.00 N ATOM 31 CA GLY A 4 2.794 -17.998 -6.270 1.00 0.00 C ATOM 32 C GLY A 4 4.215 -18.346 -5.822 1.00 0.00 C ATOM 33 O GLY A 4 4.415 -18.859 -4.722 1.00 0.00 O ATOM 0 H GLY A 4 2.115 -16.325 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.272 -18.906 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.833 -17.346 -7.143 1.00 0.00 H new ATOM 37 N SER A 5 5.165 -18.054 -6.698 1.00 0.00 N ATOM 38 CA SER A 5 6.561 -18.331 -6.407 1.00 0.00 C ATOM 39 C SER A 5 7.402 -17.073 -6.635 1.00 0.00 C ATOM 40 O SER A 5 8.080 -16.601 -5.724 1.00 0.00 O ATOM 41 CB SER A 5 7.086 -19.483 -7.266 1.00 0.00 C ATOM 42 OG SER A 5 6.783 -20.754 -6.698 1.00 0.00 O ATOM 0 H SER A 5 4.995 -17.628 -7.609 1.00 0.00 H new ATOM 0 HA SER A 5 6.639 -18.629 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.651 -19.419 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.165 -19.386 -7.382 1.00 0.00 H new ATOM 0 HG SER A 5 7.133 -21.463 -7.277 1.00 0.00 H new ATOM 48 N SER A 6 7.331 -16.566 -7.857 1.00 0.00 N ATOM 49 CA SER A 6 8.077 -15.372 -8.217 1.00 0.00 C ATOM 50 C SER A 6 7.175 -14.140 -8.114 1.00 0.00 C ATOM 51 O SER A 6 6.089 -14.111 -8.692 1.00 0.00 O ATOM 52 CB SER A 6 8.657 -15.489 -9.627 1.00 0.00 C ATOM 53 OG SER A 6 10.037 -15.843 -9.610 1.00 0.00 O ATOM 0 H SER A 6 6.768 -16.960 -8.611 1.00 0.00 H new ATOM 0 HA SER A 6 8.908 -15.265 -7.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.098 -16.238 -10.188 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.533 -14.541 -10.150 1.00 0.00 H new ATOM 0 HG SER A 6 10.369 -15.909 -10.530 1.00 0.00 H new ATOM 59 N GLY A 7 7.657 -13.153 -7.374 1.00 0.00 N ATOM 60 CA GLY A 7 6.908 -11.922 -7.188 1.00 0.00 C ATOM 61 C GLY A 7 7.514 -11.075 -6.068 1.00 0.00 C ATOM 62 O GLY A 7 8.317 -11.568 -5.277 1.00 0.00 O ATOM 0 H GLY A 7 8.558 -13.181 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.902 -11.352 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.870 -12.156 -6.951 1.00 0.00 H new ATOM 66 N LEU A 8 7.107 -9.814 -6.035 1.00 0.00 N ATOM 67 CA LEU A 8 7.600 -8.894 -5.024 1.00 0.00 C ATOM 68 C LEU A 8 6.598 -8.828 -3.869 1.00 0.00 C ATOM 69 O LEU A 8 5.394 -8.713 -4.093 1.00 0.00 O ATOM 70 CB LEU A 8 7.912 -7.532 -5.647 1.00 0.00 C ATOM 71 CG LEU A 8 8.413 -6.453 -4.684 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.669 -5.772 -5.229 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.306 -5.445 -4.366 1.00 0.00 C ATOM 0 H LEU A 8 6.441 -9.408 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 8 8.542 -9.252 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.662 -7.674 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.011 -7.164 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 8 8.689 -6.934 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.004 -5.010 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.456 -6.514 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.443 -5.306 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.688 -4.689 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.975 -4.965 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.465 -5.962 -3.904 1.00 0.00 H new ATOM 85 N GLU A 9 7.133 -8.902 -2.660 1.00 0.00 N ATOM 86 CA GLU A 9 6.302 -8.852 -1.469 1.00 0.00 C ATOM 87 C GLU A 9 6.166 -7.410 -0.977 1.00 0.00 C ATOM 88 O GLU A 9 7.101 -6.620 -1.095 1.00 0.00 O ATOM 89 CB GLU A 9 6.862 -9.757 -0.370 1.00 0.00 C ATOM 90 CG GLU A 9 5.885 -9.866 0.802 1.00 0.00 C ATOM 91 CD GLU A 9 6.399 -10.850 1.855 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.369 -10.481 2.551 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.810 -11.950 1.939 1.00 0.00 O ATOM 0 H GLU A 9 8.132 -8.996 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 9 5.310 -9.222 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.060 -10.749 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.815 -9.361 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.744 -8.885 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.911 -10.193 0.439 1.00 0.00 H new ATOM 100 N VAL A 10 4.995 -7.111 -0.434 1.00 0.00 N ATOM 101 CA VAL A 10 4.725 -5.778 0.077 1.00 0.00 C ATOM 102 C VAL A 10 3.805 -5.880 1.295 1.00 0.00 C ATOM 103 O VAL A 10 2.767 -6.537 1.240 1.00 0.00 O ATOM 104 CB VAL A 10 4.150 -4.898 -1.035 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.904 -3.473 -0.534 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.064 -4.897 -2.262 1.00 0.00 C ATOM 0 H VAL A 10 4.222 -7.769 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 10 5.648 -5.301 0.406 1.00 0.00 H new ATOM 0 HB VAL A 10 3.190 -5.320 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.495 -2.868 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.196 -3.496 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.845 -3.039 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.632 -4.264 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.045 -4.512 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.167 -5.914 -2.640 1.00 0.00 H new ATOM 116 N LEU A 11 4.219 -5.219 2.366 1.00 0.00 N ATOM 117 CA LEU A 11 3.445 -5.227 3.596 1.00 0.00 C ATOM 118 C LEU A 11 2.751 -3.875 3.765 1.00 0.00 C ATOM 119 O LEU A 11 3.048 -2.926 3.041 1.00 0.00 O ATOM 120 CB LEU A 11 4.329 -5.618 4.782 1.00 0.00 C ATOM 121 CG LEU A 11 4.816 -7.068 4.807 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.823 -7.327 3.685 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.383 -7.433 6.181 1.00 0.00 C ATOM 0 H LEU A 11 5.080 -4.674 2.408 1.00 0.00 H new ATOM 0 HA LEU A 11 2.662 -5.984 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.200 -4.963 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.775 -5.426 5.701 1.00 0.00 H new ATOM 0 HG LEU A 11 3.960 -7.719 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.153 -8.365 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.352 -7.133 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.682 -6.668 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.722 -8.469 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.223 -6.779 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.608 -7.312 6.938 1.00 0.00 H new ATOM 135 N VAL A 12 1.839 -3.830 4.725 1.00 0.00 N ATOM 136 CA VAL A 12 1.100 -2.609 4.999 1.00 0.00 C ATOM 137 C VAL A 12 0.584 -2.642 6.439 1.00 0.00 C ATOM 138 O VAL A 12 -0.102 -3.584 6.834 1.00 0.00 O ATOM 139 CB VAL A 12 -0.015 -2.430 3.967 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.034 -1.389 4.436 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.558 -2.059 2.598 1.00 0.00 C ATOM 0 H VAL A 12 1.595 -4.619 5.323 1.00 0.00 H new ATOM 0 HA VAL A 12 1.751 -1.740 4.908 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.533 -3.384 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.816 -1.281 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.478 -1.713 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.535 -0.431 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.256 -1.938 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.113 -1.124 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.226 -2.850 2.257 1.00 0.00 H new ATOM 151 N LYS A 13 0.932 -1.603 7.183 1.00 0.00 N ATOM 152 CA LYS A 13 0.513 -1.502 8.570 1.00 0.00 C ATOM 153 C LYS A 13 -0.420 -0.299 8.730 1.00 0.00 C ATOM 154 O LYS A 13 -0.161 0.769 8.178 1.00 0.00 O ATOM 155 CB LYS A 13 1.729 -1.464 9.497 1.00 0.00 C ATOM 156 CG LYS A 13 1.336 -1.817 10.933 1.00 0.00 C ATOM 157 CD LYS A 13 2.037 -0.897 11.935 1.00 0.00 C ATOM 158 CE LYS A 13 2.878 -1.705 12.926 1.00 0.00 C ATOM 159 NZ LYS A 13 4.319 -1.557 12.623 1.00 0.00 N ATOM 0 H LYS A 13 1.500 -0.823 6.851 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.053 -2.387 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.484 -2.164 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.178 -0.471 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.256 -1.732 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.598 -2.854 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.674 -0.192 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.295 -0.310 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.677 -1.367 13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.596 -2.757 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.876 -2.111 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.508 -1.901 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.587 -0.554 12.691 1.00 0.00 H new ATOM 173 N THR A 14 -1.485 -0.513 9.487 1.00 0.00 N ATOM 174 CA THR A 14 -2.457 0.540 9.727 1.00 0.00 C ATOM 175 C THR A 14 -2.562 0.839 11.223 1.00 0.00 C ATOM 176 O THR A 14 -1.890 0.206 12.035 1.00 0.00 O ATOM 177 CB THR A 14 -3.785 0.110 9.098 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.182 -1.022 9.867 1.00 0.00 O ATOM 179 CG2 THR A 14 -3.610 -0.443 7.683 1.00 0.00 C ATOM 0 H THR A 14 -1.697 -1.401 9.943 1.00 0.00 H new ATOM 0 HA THR A 14 -2.148 1.476 9.262 1.00 0.00 H new ATOM 0 HB THR A 14 -4.468 0.959 9.074 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.036 -1.364 9.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.582 -0.733 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.169 0.323 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.955 -1.313 7.711 1.00 0.00 H new ATOM 187 N LEU A 15 -3.411 1.805 11.543 1.00 0.00 N ATOM 188 CA LEU A 15 -3.613 2.196 12.928 1.00 0.00 C ATOM 189 C LEU A 15 -4.088 0.984 13.731 1.00 0.00 C ATOM 190 O LEU A 15 -3.881 0.917 14.942 1.00 0.00 O ATOM 191 CB LEU A 15 -4.555 3.399 13.014 1.00 0.00 C ATOM 192 CG LEU A 15 -4.000 4.724 12.486 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.911 5.307 11.404 1.00 0.00 C ATOM 194 CD2 LEU A 15 -3.762 5.712 13.629 1.00 0.00 C ATOM 0 H LEU A 15 -3.967 2.328 10.867 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.673 2.525 13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.465 3.163 12.462 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.841 3.537 14.057 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.033 4.530 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.494 6.248 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.986 4.604 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.903 5.485 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.368 6.645 13.227 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.703 5.907 14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.045 5.289 14.333 1.00 0.00 H new ATOM 206 N ASP A 16 -4.717 0.056 13.025 1.00 0.00 N ATOM 207 CA ASP A 16 -5.224 -1.150 13.658 1.00 0.00 C ATOM 208 C ASP A 16 -4.048 -2.045 14.056 1.00 0.00 C ATOM 209 O ASP A 16 -4.203 -2.955 14.869 1.00 0.00 O ATOM 210 CB ASP A 16 -6.116 -1.942 12.699 1.00 0.00 C ATOM 211 CG ASP A 16 -7.609 -1.909 13.030 1.00 0.00 C ATOM 212 OD1 ASP A 16 -8.026 -2.748 13.858 1.00 0.00 O ATOM 213 OD2 ASP A 16 -8.301 -1.045 12.448 1.00 0.00 O ATOM 0 H ASP A 16 -4.887 0.115 12.021 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.806 -0.854 14.531 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.974 -1.554 11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.784 -2.980 12.691 1.00 0.00 H new ATOM 218 N SER A 17 -2.898 -1.754 13.465 1.00 0.00 N ATOM 219 CA SER A 17 -1.697 -2.521 13.748 1.00 0.00 C ATOM 220 C SER A 17 -1.914 -3.990 13.380 1.00 0.00 C ATOM 221 O SER A 17 -2.028 -4.843 14.258 1.00 0.00 O ATOM 222 CB SER A 17 -1.298 -2.396 15.220 1.00 0.00 C ATOM 223 OG SER A 17 -0.154 -1.565 15.395 1.00 0.00 O ATOM 0 H SER A 17 -2.773 -0.998 12.792 1.00 0.00 H new ATOM 0 HA SER A 17 -0.884 -2.118 13.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.133 -1.987 15.788 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.092 -3.387 15.625 1.00 0.00 H new ATOM 0 HG SER A 17 0.067 -1.509 16.348 1.00 0.00 H new ATOM 229 N GLN A 18 -1.965 -4.240 12.080 1.00 0.00 N ATOM 230 CA GLN A 18 -2.167 -5.590 11.585 1.00 0.00 C ATOM 231 C GLN A 18 -1.462 -5.773 10.239 1.00 0.00 C ATOM 232 O GLN A 18 -2.112 -5.996 9.219 1.00 0.00 O ATOM 233 CB GLN A 18 -3.658 -5.916 11.472 1.00 0.00 C ATOM 234 CG GLN A 18 -4.227 -6.355 12.822 1.00 0.00 C ATOM 235 CD GLN A 18 -5.026 -7.652 12.685 1.00 0.00 C ATOM 236 OE1 GLN A 18 -4.565 -8.641 12.139 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.248 -7.593 13.208 1.00 0.00 N ATOM 0 H GLN A 18 -1.870 -3.530 11.354 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.730 -6.287 12.300 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.199 -5.041 11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.806 -6.707 10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.414 -6.498 13.534 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.868 -5.570 13.223 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.572 -6.733 13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.861 -8.407 13.166 1.00 0.00 H new ATOM 246 N THR A 19 -0.142 -5.672 10.280 1.00 0.00 N ATOM 247 CA THR A 19 0.658 -5.824 9.077 1.00 0.00 C ATOM 248 C THR A 19 0.085 -6.932 8.191 1.00 0.00 C ATOM 249 O THR A 19 -0.267 -8.003 8.682 1.00 0.00 O ATOM 250 CB THR A 19 2.107 -6.073 9.501 1.00 0.00 C ATOM 251 OG1 THR A 19 2.447 -4.923 10.271 1.00 0.00 O ATOM 252 CG2 THR A 19 3.079 -6.030 8.319 1.00 0.00 C ATOM 0 H THR A 19 0.394 -5.487 11.128 1.00 0.00 H new ATOM 0 HA THR A 19 0.633 -4.920 8.469 1.00 0.00 H new ATOM 0 HB THR A 19 2.178 -7.042 9.995 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.371 -5.003 10.587 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.093 -6.213 8.675 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.805 -6.797 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.032 -5.050 7.845 1.00 0.00 H new ATOM 260 N ARG A 20 0.010 -6.636 6.902 1.00 0.00 N ATOM 261 CA ARG A 20 -0.514 -7.593 5.944 1.00 0.00 C ATOM 262 C ARG A 20 0.442 -7.736 4.758 1.00 0.00 C ATOM 263 O ARG A 20 0.686 -6.773 4.033 1.00 0.00 O ATOM 264 CB ARG A 20 -1.890 -7.163 5.431 1.00 0.00 C ATOM 265 CG ARG A 20 -2.989 -7.536 6.428 1.00 0.00 C ATOM 266 CD ARG A 20 -4.172 -6.571 6.327 1.00 0.00 C ATOM 267 NE ARG A 20 -4.889 -6.511 7.620 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.734 -5.531 7.966 1.00 0.00 C ATOM 269 NH1 ARG A 20 -5.974 -4.523 7.117 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.340 -5.559 9.161 1.00 0.00 N ATOM 0 H ARG A 20 0.304 -5.746 6.499 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.612 -8.551 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.898 -6.086 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.089 -7.639 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.328 -8.554 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.587 -7.519 7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.819 -5.577 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.852 -6.897 5.540 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.730 -7.263 8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.513 -4.502 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.617 -3.777 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.158 -6.327 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.983 -4.813 9.424 1.00 0.00 H new ATOM 284 N THR A 21 0.959 -8.946 4.598 1.00 0.00 N ATOM 285 CA THR A 21 1.884 -9.227 3.513 1.00 0.00 C ATOM 286 C THR A 21 1.124 -9.405 2.198 1.00 0.00 C ATOM 287 O THR A 21 0.097 -10.081 2.156 1.00 0.00 O ATOM 288 CB THR A 21 2.715 -10.450 3.906 1.00 0.00 C ATOM 289 OG1 THR A 21 3.816 -9.906 4.628 1.00 0.00 O ATOM 290 CG2 THR A 21 3.362 -11.131 2.697 1.00 0.00 C ATOM 0 H THR A 21 0.755 -9.743 5.202 1.00 0.00 H new ATOM 0 HA THR A 21 2.566 -8.393 3.347 1.00 0.00 H new ATOM 0 HB THR A 21 2.081 -11.165 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.405 -10.632 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.940 -11.993 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.586 -11.460 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.021 -10.425 2.192 1.00 0.00 H new ATOM 298 N PHE A 22 1.658 -8.787 1.154 1.00 0.00 N ATOM 299 CA PHE A 22 1.043 -8.868 -0.159 1.00 0.00 C ATOM 300 C PHE A 22 2.081 -9.210 -1.230 1.00 0.00 C ATOM 301 O PHE A 22 3.193 -8.684 -1.213 1.00 0.00 O ATOM 302 CB PHE A 22 0.450 -7.491 -0.462 1.00 0.00 C ATOM 303 CG PHE A 22 -0.770 -7.137 0.391 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.923 -7.846 0.254 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.702 -6.115 1.285 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.056 -7.518 1.046 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.835 -5.787 2.076 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.988 -6.496 1.940 1.00 0.00 C ATOM 0 H PHE A 22 2.510 -8.228 1.192 1.00 0.00 H new ATOM 0 HA PHE A 22 0.282 -9.648 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.219 -6.734 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.168 -7.452 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.977 -8.658 -0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.214 -5.553 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.971 -8.081 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.781 -4.975 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.849 -6.247 2.542 1.00 0.00 H new ATOM 318 N ILE A 23 1.681 -10.089 -2.137 1.00 0.00 N ATOM 319 CA ILE A 23 2.562 -10.508 -3.214 1.00 0.00 C ATOM 320 C ILE A 23 2.035 -9.960 -4.541 1.00 0.00 C ATOM 321 O ILE A 23 1.060 -10.475 -5.086 1.00 0.00 O ATOM 322 CB ILE A 23 2.739 -12.027 -3.202 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.249 -12.510 -1.843 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.643 -12.483 -4.349 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.761 -12.309 -1.722 1.00 0.00 C ATOM 0 H ILE A 23 0.758 -10.523 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 23 3.560 -10.094 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 23 1.763 -12.485 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.741 -11.967 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.007 -13.565 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.752 -13.567 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.199 -12.191 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.623 -12.017 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.098 -12.660 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.267 -12.873 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.997 -11.250 -1.827 1.00 0.00 H new ATOM 337 N VAL A 24 2.702 -8.922 -5.024 1.00 0.00 N ATOM 338 CA VAL A 24 2.313 -8.299 -6.277 1.00 0.00 C ATOM 339 C VAL A 24 3.532 -8.204 -7.196 1.00 0.00 C ATOM 340 O VAL A 24 4.668 -8.332 -6.740 1.00 0.00 O ATOM 341 CB VAL A 24 1.662 -6.941 -6.006 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.354 -7.105 -5.230 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.625 -6.009 -5.268 1.00 0.00 C ATOM 0 H VAL A 24 3.510 -8.497 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 24 1.567 -8.907 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 24 1.426 -6.485 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.088 -6.125 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.339 -7.715 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.556 -7.592 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.138 -5.051 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.907 -6.457 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.517 -5.854 -5.874 1.00 0.00 H new ATOM 353 N GLY A 25 3.256 -7.982 -8.472 1.00 0.00 N ATOM 354 CA GLY A 25 4.317 -7.869 -9.459 1.00 0.00 C ATOM 355 C GLY A 25 5.084 -6.556 -9.292 1.00 0.00 C ATOM 356 O GLY A 25 4.493 -5.478 -9.335 1.00 0.00 O ATOM 0 H GLY A 25 2.313 -7.877 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.003 -8.710 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.893 -7.921 -10.462 1.00 0.00 H new ATOM 360 N ALA A 26 6.389 -6.689 -9.104 1.00 0.00 N ATOM 361 CA ALA A 26 7.242 -5.526 -8.931 1.00 0.00 C ATOM 362 C ALA A 26 6.844 -4.450 -9.943 1.00 0.00 C ATOM 363 O ALA A 26 6.842 -3.262 -9.624 1.00 0.00 O ATOM 364 CB ALA A 26 8.708 -5.943 -9.070 1.00 0.00 C ATOM 0 H ALA A 26 6.876 -7.584 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 26 7.116 -5.103 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.348 -5.071 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.949 -6.686 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.873 -6.370 -10.059 1.00 0.00 H new ATOM 370 N GLN A 27 6.515 -4.905 -11.143 1.00 0.00 N ATOM 371 CA GLN A 27 6.116 -3.996 -12.204 1.00 0.00 C ATOM 372 C GLN A 27 4.910 -3.163 -11.764 1.00 0.00 C ATOM 373 O GLN A 27 4.870 -1.955 -11.991 1.00 0.00 O ATOM 374 CB GLN A 27 5.812 -4.760 -13.495 1.00 0.00 C ATOM 375 CG GLN A 27 7.069 -5.443 -14.036 1.00 0.00 C ATOM 376 CD GLN A 27 8.017 -4.424 -14.672 1.00 0.00 C ATOM 377 OE1 GLN A 27 7.633 -3.609 -15.495 1.00 0.00 O ATOM 378 NE2 GLN A 27 9.274 -4.514 -14.245 1.00 0.00 N ATOM 0 H GLN A 27 6.517 -5.891 -11.404 1.00 0.00 H new ATOM 0 HA GLN A 27 6.946 -3.319 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.040 -5.507 -13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.416 -4.074 -14.243 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.580 -5.965 -13.227 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.790 -6.195 -14.774 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.529 -5.220 -13.554 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.983 -3.877 -14.609 1.00 0.00 H new ATOM 387 N MET A 28 3.957 -3.842 -11.142 1.00 0.00 N ATOM 388 CA MET A 28 2.754 -3.180 -10.668 1.00 0.00 C ATOM 389 C MET A 28 3.076 -1.793 -10.109 1.00 0.00 C ATOM 390 O MET A 28 4.148 -1.581 -9.544 1.00 0.00 O ATOM 391 CB MET A 28 2.099 -4.030 -9.578 1.00 0.00 C ATOM 392 CG MET A 28 0.821 -3.368 -9.060 1.00 0.00 C ATOM 393 SD MET A 28 0.117 -4.345 -7.743 1.00 0.00 S ATOM 394 CE MET A 28 -0.723 -5.596 -8.699 1.00 0.00 C ATOM 0 H MET A 28 3.994 -4.844 -10.955 1.00 0.00 H new ATOM 0 HA MET A 28 2.071 -3.063 -11.509 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.866 -5.019 -9.974 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.798 -4.173 -8.754 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.042 -2.363 -8.700 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.101 -3.264 -9.872 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.307 -6.232 -8.033 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.387 -5.119 -9.420 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.011 -6.203 -9.229 1.00 0.00 H new ATOM 404 N ASN A 29 2.128 -0.884 -10.286 1.00 0.00 N ATOM 405 CA ASN A 29 2.298 0.477 -9.806 1.00 0.00 C ATOM 406 C ASN A 29 1.584 0.632 -8.462 1.00 0.00 C ATOM 407 O ASN A 29 0.788 -0.223 -8.076 1.00 0.00 O ATOM 408 CB ASN A 29 1.690 1.485 -10.783 1.00 0.00 C ATOM 409 CG ASN A 29 0.320 1.015 -11.275 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.094 -0.154 -11.540 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.581 1.989 -11.380 1.00 0.00 N ATOM 0 H ASN A 29 1.240 -1.063 -10.755 1.00 0.00 H new ATOM 0 HA ASN A 29 3.366 0.669 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.592 2.455 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.358 1.621 -11.633 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.526 1.777 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.326 2.947 -11.142 1.00 0.00 H new ATOM 418 N VAL A 30 1.894 1.729 -7.786 1.00 0.00 N ATOM 419 CA VAL A 30 1.292 2.006 -6.493 1.00 0.00 C ATOM 420 C VAL A 30 -0.232 1.966 -6.626 1.00 0.00 C ATOM 421 O VAL A 30 -0.905 1.255 -5.881 1.00 0.00 O ATOM 422 CB VAL A 30 1.809 3.340 -5.951 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.908 3.863 -4.830 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.258 3.213 -5.475 1.00 0.00 C ATOM 0 H VAL A 30 2.554 2.436 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 30 1.576 1.243 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 30 1.785 4.064 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.298 4.812 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.102 4.010 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.885 3.140 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.602 4.175 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.316 2.467 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.889 2.906 -6.309 1.00 0.00 H new ATOM 434 N LYS A 31 -0.732 2.738 -7.580 1.00 0.00 N ATOM 435 CA LYS A 31 -2.164 2.799 -7.820 1.00 0.00 C ATOM 436 C LYS A 31 -2.734 1.380 -7.839 1.00 0.00 C ATOM 437 O LYS A 31 -3.591 1.040 -7.024 1.00 0.00 O ATOM 438 CB LYS A 31 -2.460 3.598 -9.091 1.00 0.00 C ATOM 439 CG LYS A 31 -3.841 3.248 -9.648 1.00 0.00 C ATOM 440 CD LYS A 31 -4.530 4.487 -10.224 1.00 0.00 C ATOM 441 CE LYS A 31 -4.584 4.425 -11.751 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.984 4.317 -12.217 1.00 0.00 N ATOM 0 H LYS A 31 -0.171 3.326 -8.196 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.664 3.333 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.411 4.665 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.698 3.390 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.742 2.489 -10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.458 2.819 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.541 4.564 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.994 5.383 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.122 5.317 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.009 3.570 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.002 4.276 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.413 3.453 -11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.522 5.146 -11.894 1.00 0.00 H new ATOM 456 N GLU A 32 -2.237 0.589 -8.778 1.00 0.00 N ATOM 457 CA GLU A 32 -2.687 -0.787 -8.914 1.00 0.00 C ATOM 458 C GLU A 32 -2.661 -1.490 -7.555 1.00 0.00 C ATOM 459 O GLU A 32 -3.685 -1.988 -7.090 1.00 0.00 O ATOM 460 CB GLU A 32 -1.839 -1.542 -9.939 1.00 0.00 C ATOM 461 CG GLU A 32 -2.336 -1.280 -11.362 1.00 0.00 C ATOM 462 CD GLU A 32 -1.490 -2.038 -12.387 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.255 -3.243 -12.149 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.096 -1.396 -13.384 1.00 0.00 O ATOM 0 H GLU A 32 -1.527 0.874 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.715 -0.779 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.797 -1.234 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.874 -2.611 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.379 -1.585 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.298 -0.211 -11.573 1.00 0.00 H new ATOM 471 N PHE A 33 -1.479 -1.509 -6.957 1.00 0.00 N ATOM 472 CA PHE A 33 -1.306 -2.143 -5.661 1.00 0.00 C ATOM 473 C PHE A 33 -2.440 -1.761 -4.708 1.00 0.00 C ATOM 474 O PHE A 33 -2.907 -2.590 -3.929 1.00 0.00 O ATOM 475 CB PHE A 33 0.019 -1.636 -5.088 1.00 0.00 C ATOM 476 CG PHE A 33 0.440 -2.327 -3.790 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.788 -3.642 -3.801 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.467 -1.627 -2.624 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.180 -4.283 -2.596 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.859 -2.268 -1.419 1.00 0.00 C ATOM 481 CZ PHE A 33 1.207 -3.583 -1.431 1.00 0.00 C ATOM 0 H PHE A 33 -0.632 -1.095 -7.346 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.312 -3.227 -5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.802 -1.776 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.061 -0.564 -4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.766 -4.199 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.190 -0.583 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.457 -5.327 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.881 -1.712 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.505 -4.071 -0.515 1.00 0.00 H new ATOM 491 N LYS A 34 -2.850 -0.504 -4.801 1.00 0.00 N ATOM 492 CA LYS A 34 -3.920 -0.002 -3.956 1.00 0.00 C ATOM 493 C LYS A 34 -5.229 -0.702 -4.328 1.00 0.00 C ATOM 494 O LYS A 34 -6.033 -1.027 -3.456 1.00 0.00 O ATOM 495 CB LYS A 34 -3.995 1.524 -4.037 1.00 0.00 C ATOM 496 CG LYS A 34 -2.689 2.163 -3.561 1.00 0.00 C ATOM 497 CD LYS A 34 -2.400 3.456 -4.327 1.00 0.00 C ATOM 498 CE LYS A 34 -2.223 4.634 -3.366 1.00 0.00 C ATOM 499 NZ LYS A 34 -3.487 4.911 -2.647 1.00 0.00 N ATOM 0 H LYS A 34 -2.460 0.181 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.720 -0.234 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.200 1.828 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.824 1.884 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.751 2.375 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.866 1.462 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.499 3.333 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.217 3.665 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.432 4.411 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.911 5.519 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.675 5.934 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.269 4.411 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.406 4.583 -1.663 1.00 0.00 H new ATOM 513 N GLU A 35 -5.402 -0.913 -5.625 1.00 0.00 N ATOM 514 CA GLU A 35 -6.599 -1.569 -6.123 1.00 0.00 C ATOM 515 C GLU A 35 -6.584 -3.054 -5.752 1.00 0.00 C ATOM 516 O GLU A 35 -7.633 -3.644 -5.499 1.00 0.00 O ATOM 517 CB GLU A 35 -6.737 -1.383 -7.635 1.00 0.00 C ATOM 518 CG GLU A 35 -6.804 0.101 -8.001 1.00 0.00 C ATOM 519 CD GLU A 35 -7.414 0.296 -9.390 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.877 -0.317 -10.338 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.404 1.055 -9.474 1.00 0.00 O ATOM 0 H GLU A 35 -4.733 -0.641 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.466 -1.106 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.891 -1.848 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.636 -1.889 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.399 0.635 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.803 0.531 -7.976 1.00 0.00 H new ATOM 528 N HIS A 36 -5.384 -3.614 -5.732 1.00 0.00 N ATOM 529 CA HIS A 36 -5.219 -5.018 -5.397 1.00 0.00 C ATOM 530 C HIS A 36 -5.577 -5.240 -3.926 1.00 0.00 C ATOM 531 O HIS A 36 -6.349 -6.141 -3.601 1.00 0.00 O ATOM 532 CB HIS A 36 -3.807 -5.497 -5.741 1.00 0.00 C ATOM 533 CG HIS A 36 -3.558 -6.952 -5.427 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.716 -7.539 -4.528 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.217 -7.983 -6.074 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.854 -8.855 -4.621 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.784 -9.133 -5.579 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.516 -3.121 -5.942 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.901 -5.621 -5.997 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.626 -5.329 -6.803 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.085 -4.890 -5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.959 -7.869 -6.851 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.318 -9.586 -4.034 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.092 -10.063 -5.864 1.00 0.00 H new ATOM 545 N ILE A 37 -5.000 -4.403 -3.077 1.00 0.00 N ATOM 546 CA ILE A 37 -5.249 -4.496 -1.648 1.00 0.00 C ATOM 547 C ILE A 37 -6.621 -3.896 -1.334 1.00 0.00 C ATOM 548 O ILE A 37 -7.278 -4.307 -0.378 1.00 0.00 O ATOM 549 CB ILE A 37 -4.104 -3.856 -0.861 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.142 -2.331 -0.980 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.753 -4.431 -1.294 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.487 -1.670 0.235 1.00 0.00 C ATOM 0 H ILE A 37 -4.361 -3.657 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.277 -5.539 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.236 -4.100 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.627 -2.021 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.175 -1.995 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.956 -3.959 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.741 -5.506 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.599 -4.237 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.527 -0.586 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.019 -1.963 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.447 -1.989 0.306 1.00 0.00 H new ATOM 564 N ALA A 38 -7.014 -2.934 -2.156 1.00 0.00 N ATOM 565 CA ALA A 38 -8.296 -2.274 -1.978 1.00 0.00 C ATOM 566 C ALA A 38 -9.352 -3.314 -1.599 1.00 0.00 C ATOM 567 O ALA A 38 -10.255 -3.030 -0.814 1.00 0.00 O ATOM 568 CB ALA A 38 -8.659 -1.512 -3.253 1.00 0.00 C ATOM 0 H ALA A 38 -6.467 -2.596 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.244 -1.547 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.621 -1.017 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.892 -0.766 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.723 -2.210 -4.088 1.00 0.00 H new ATOM 574 N ALA A 39 -9.204 -4.498 -2.175 1.00 0.00 N ATOM 575 CA ALA A 39 -10.134 -5.582 -1.908 1.00 0.00 C ATOM 576 C ALA A 39 -9.992 -6.023 -0.450 1.00 0.00 C ATOM 577 O ALA A 39 -10.964 -6.013 0.303 1.00 0.00 O ATOM 578 CB ALA A 39 -9.879 -6.727 -2.891 1.00 0.00 C ATOM 0 H ALA A 39 -8.454 -4.730 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.162 -5.250 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.576 -7.540 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.021 -6.369 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.857 -7.088 -2.772 1.00 0.00 H new ATOM 584 N SER A 40 -8.772 -6.398 -0.095 1.00 0.00 N ATOM 585 CA SER A 40 -8.490 -6.841 1.260 1.00 0.00 C ATOM 586 C SER A 40 -8.765 -5.707 2.249 1.00 0.00 C ATOM 587 O SER A 40 -9.641 -5.824 3.104 1.00 0.00 O ATOM 588 CB SER A 40 -7.043 -7.322 1.392 1.00 0.00 C ATOM 589 OG SER A 40 -6.889 -8.674 0.971 1.00 0.00 O ATOM 0 H SER A 40 -7.967 -6.404 -0.722 1.00 0.00 H new ATOM 0 HA SER A 40 -9.146 -7.681 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.392 -6.681 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.723 -7.227 2.429 1.00 0.00 H new ATOM 0 HG SER A 40 -5.952 -8.942 1.069 1.00 0.00 H new ATOM 595 N VAL A 41 -7.999 -4.636 2.100 1.00 0.00 N ATOM 596 CA VAL A 41 -8.150 -3.482 2.970 1.00 0.00 C ATOM 597 C VAL A 41 -9.610 -3.026 2.958 1.00 0.00 C ATOM 598 O VAL A 41 -10.114 -2.516 3.957 1.00 0.00 O ATOM 599 CB VAL A 41 -7.176 -2.379 2.549 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.725 -2.834 2.722 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.443 -1.931 1.111 1.00 0.00 C ATOM 0 H VAL A 41 -7.272 -4.543 1.390 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.900 -3.744 3.998 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.338 -1.521 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.053 -2.032 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.543 -3.080 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.544 -3.714 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.737 -1.147 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.322 -2.779 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.460 -1.547 1.032 1.00 0.00 H new ATOM 611 N SER A 42 -10.250 -3.227 1.815 1.00 0.00 N ATOM 612 CA SER A 42 -11.643 -2.843 1.659 1.00 0.00 C ATOM 613 C SER A 42 -11.752 -1.326 1.490 1.00 0.00 C ATOM 614 O SER A 42 -12.831 -0.757 1.645 1.00 0.00 O ATOM 615 CB SER A 42 -12.478 -3.305 2.855 1.00 0.00 C ATOM 616 OG SER A 42 -13.681 -3.951 2.448 1.00 0.00 O ATOM 0 H SER A 42 -9.829 -3.651 0.988 1.00 0.00 H new ATOM 0 HA SER A 42 -12.035 -3.331 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.889 -3.988 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.721 -2.446 3.481 1.00 0.00 H new ATOM 0 HG SER A 42 -14.185 -4.233 3.240 1.00 0.00 H new ATOM 622 N ILE A 43 -10.619 -0.715 1.174 1.00 0.00 N ATOM 623 CA ILE A 43 -10.574 0.724 0.982 1.00 0.00 C ATOM 624 C ILE A 43 -10.191 1.029 -0.468 1.00 0.00 C ATOM 625 O ILE A 43 -9.347 0.347 -1.047 1.00 0.00 O ATOM 626 CB ILE A 43 -9.648 1.373 2.012 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.089 1.032 3.437 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.552 2.884 1.789 1.00 0.00 C ATOM 629 CD1 ILE A 43 -9.020 1.439 4.454 1.00 0.00 C ATOM 0 H ILE A 43 -9.726 -1.191 1.046 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.558 1.162 1.151 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.647 0.963 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.025 1.542 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.282 -0.038 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.888 3.320 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.157 3.080 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.543 3.329 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.358 1.186 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.092 0.908 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.847 2.513 4.390 1.00 0.00 H new ATOM 641 N PRO A 44 -10.847 2.082 -1.026 1.00 0.00 N ATOM 642 CA PRO A 44 -10.583 2.486 -2.397 1.00 0.00 C ATOM 643 C PRO A 44 -9.244 3.218 -2.505 1.00 0.00 C ATOM 644 O PRO A 44 -8.864 3.961 -1.602 1.00 0.00 O ATOM 645 CB PRO A 44 -11.768 3.354 -2.786 1.00 0.00 C ATOM 646 CG PRO A 44 -12.416 3.785 -1.480 1.00 0.00 C ATOM 647 CD PRO A 44 -11.852 2.912 -0.370 1.00 0.00 C ATOM 0 HA PRO A 44 -10.488 1.638 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.445 4.219 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.472 2.799 -3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.210 4.837 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.499 3.677 -1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.411 3.516 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.631 2.303 0.089 1.00 0.00 H new ATOM 655 N SER A 45 -8.566 2.982 -3.619 1.00 0.00 N ATOM 656 CA SER A 45 -7.277 3.610 -3.857 1.00 0.00 C ATOM 657 C SER A 45 -7.404 5.129 -3.729 1.00 0.00 C ATOM 658 O SER A 45 -6.496 5.791 -3.227 1.00 0.00 O ATOM 659 CB SER A 45 -6.729 3.237 -5.236 1.00 0.00 C ATOM 660 OG SER A 45 -7.270 4.060 -6.265 1.00 0.00 O ATOM 0 H SER A 45 -8.885 2.365 -4.366 1.00 0.00 H new ATOM 0 HA SER A 45 -6.575 3.246 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.643 3.329 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.960 2.193 -5.448 1.00 0.00 H new ATOM 0 HG SER A 45 -6.895 3.792 -7.130 1.00 0.00 H new ATOM 666 N GLU A 46 -8.536 5.638 -4.192 1.00 0.00 N ATOM 667 CA GLU A 46 -8.793 7.067 -4.136 1.00 0.00 C ATOM 668 C GLU A 46 -8.916 7.527 -2.682 1.00 0.00 C ATOM 669 O GLU A 46 -8.907 8.725 -2.403 1.00 0.00 O ATOM 670 CB GLU A 46 -10.047 7.430 -4.933 1.00 0.00 C ATOM 671 CG GLU A 46 -11.262 6.646 -4.433 1.00 0.00 C ATOM 672 CD GLU A 46 -12.563 7.381 -4.762 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.878 8.337 -4.021 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.212 6.971 -5.748 1.00 0.00 O ATOM 0 H GLU A 46 -9.286 5.086 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.950 7.586 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.240 8.499 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.884 7.219 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.274 5.656 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.186 6.499 -3.356 1.00 0.00 H new ATOM 681 N LYS A 47 -9.028 6.551 -1.793 1.00 0.00 N ATOM 682 CA LYS A 47 -9.152 6.841 -0.374 1.00 0.00 C ATOM 683 C LYS A 47 -7.880 6.392 0.347 1.00 0.00 C ATOM 684 O LYS A 47 -7.620 6.812 1.474 1.00 0.00 O ATOM 685 CB LYS A 47 -10.432 6.220 0.190 1.00 0.00 C ATOM 686 CG LYS A 47 -11.653 7.075 -0.151 1.00 0.00 C ATOM 687 CD LYS A 47 -12.869 6.648 0.673 1.00 0.00 C ATOM 688 CE LYS A 47 -13.106 7.610 1.839 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.079 8.659 1.456 1.00 0.00 N ATOM 0 H LYS A 47 -9.035 5.558 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.248 7.914 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.562 5.216 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.345 6.119 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.431 8.125 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.879 6.985 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.753 6.619 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.718 5.638 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.477 7.059 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.164 8.071 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.229 9.303 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.710 9.196 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.983 8.216 1.195 1.00 0.00 H new ATOM 703 N GLN A 48 -7.121 5.544 -0.331 1.00 0.00 N ATOM 704 CA GLN A 48 -5.883 5.033 0.231 1.00 0.00 C ATOM 705 C GLN A 48 -4.754 6.047 0.037 1.00 0.00 C ATOM 706 O GLN A 48 -4.882 6.981 -0.753 1.00 0.00 O ATOM 707 CB GLN A 48 -5.518 3.681 -0.386 1.00 0.00 C ATOM 708 CG GLN A 48 -6.470 2.584 0.094 1.00 0.00 C ATOM 709 CD GLN A 48 -5.941 1.197 -0.277 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.173 0.584 0.446 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.393 0.740 -1.441 1.00 0.00 N ATOM 0 H GLN A 48 -7.340 5.198 -1.265 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.028 4.880 1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.557 3.751 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.494 3.420 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.594 2.653 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.454 2.732 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.035 1.306 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.098 -0.176 -1.778 1.00 0.00 H new ATOM 720 N ARG A 49 -3.673 5.829 0.771 1.00 0.00 N ATOM 721 CA ARG A 49 -2.522 6.712 0.690 1.00 0.00 C ATOM 722 C ARG A 49 -1.307 6.064 1.359 1.00 0.00 C ATOM 723 O ARG A 49 -1.058 6.279 2.544 1.00 0.00 O ATOM 724 CB ARG A 49 -2.810 8.055 1.363 1.00 0.00 C ATOM 725 CG ARG A 49 -1.611 8.998 1.240 1.00 0.00 C ATOM 726 CD ARG A 49 -1.778 10.218 2.149 1.00 0.00 C ATOM 727 NE ARG A 49 -0.521 10.998 2.184 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.446 12.285 2.550 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.554 12.944 2.915 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.738 12.913 2.551 1.00 0.00 N ATOM 0 H ARG A 49 -3.570 5.053 1.425 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.311 6.885 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.687 8.514 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.045 7.896 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.697 8.466 1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.504 9.323 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.594 10.843 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.045 9.898 3.156 1.00 0.00 H new ATOM 0 HE ARG A 49 0.342 10.527 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.455 12.466 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.496 13.924 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.582 12.411 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.795 13.893 2.829 1.00 0.00 H new ATOM 744 N LEU A 50 -0.584 5.284 0.569 1.00 0.00 N ATOM 745 CA LEU A 50 0.599 4.603 1.070 1.00 0.00 C ATOM 746 C LEU A 50 1.674 5.639 1.405 1.00 0.00 C ATOM 747 O LEU A 50 1.900 6.574 0.640 1.00 0.00 O ATOM 748 CB LEU A 50 1.062 3.535 0.077 1.00 0.00 C ATOM 749 CG LEU A 50 -0.033 2.636 -0.500 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.541 1.670 -1.539 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.783 1.901 0.613 1.00 0.00 C ATOM 0 H LEU A 50 -0.794 5.108 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 50 0.371 4.070 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.570 4.032 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.800 2.903 0.571 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.758 3.268 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.258 1.043 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.992 2.237 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.299 1.041 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.556 1.269 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.084 1.282 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.244 2.627 1.282 1.00 0.00 H new ATOM 763 N ILE A 51 2.308 5.436 2.550 1.00 0.00 N ATOM 764 CA ILE A 51 3.355 6.340 2.997 1.00 0.00 C ATOM 765 C ILE A 51 4.518 5.526 3.566 1.00 0.00 C ATOM 766 O ILE A 51 4.320 4.674 4.430 1.00 0.00 O ATOM 767 CB ILE A 51 2.790 7.372 3.975 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.768 8.279 3.286 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.913 8.173 4.636 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.771 8.849 4.297 1.00 0.00 C ATOM 0 H ILE A 51 2.117 4.659 3.182 1.00 0.00 H new ATOM 0 HA ILE A 51 3.748 6.913 2.157 1.00 0.00 H new ATOM 0 HB ILE A 51 2.265 6.839 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.284 9.095 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.234 7.715 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.484 8.899 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.569 7.496 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.487 8.695 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.056 9.490 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.240 8.032 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.306 9.432 5.047 1.00 0.00 H new ATOM 782 N TYR A 52 5.707 5.817 3.057 1.00 0.00 N ATOM 783 CA TYR A 52 6.902 5.122 3.504 1.00 0.00 C ATOM 784 C TYR A 52 8.045 6.106 3.760 1.00 0.00 C ATOM 785 O TYR A 52 8.433 6.859 2.868 1.00 0.00 O ATOM 786 CB TYR A 52 7.298 4.186 2.361 1.00 0.00 C ATOM 787 CG TYR A 52 8.595 3.413 2.610 1.00 0.00 C ATOM 788 CD1 TYR A 52 9.812 3.998 2.326 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.547 2.131 3.118 1.00 0.00 C ATOM 790 CE1 TYR A 52 11.032 3.270 2.561 1.00 0.00 C ATOM 791 CE2 TYR A 52 9.767 1.403 3.353 1.00 0.00 C ATOM 792 CZ TYR A 52 10.950 2.009 3.062 1.00 0.00 C ATOM 793 OH TYR A 52 12.103 1.322 3.284 1.00 0.00 O ATOM 0 H TYR A 52 5.868 6.524 2.340 1.00 0.00 H new ATOM 0 HA TYR A 52 6.710 4.588 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.490 3.474 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.405 4.770 1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.850 5.001 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.594 1.673 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.991 3.716 2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.744 0.399 3.751 1.00 0.00 H new ATOM 0 HH TYR A 52 12.290 1.298 4.246 1.00 0.00 H new ATOM 803 N GLN A 53 8.552 6.070 4.984 1.00 0.00 N ATOM 804 CA GLN A 53 9.643 6.949 5.369 1.00 0.00 C ATOM 805 C GLN A 53 9.095 8.296 5.846 1.00 0.00 C ATOM 806 O GLN A 53 9.622 8.886 6.788 1.00 0.00 O ATOM 807 CB GLN A 53 10.630 7.136 4.215 1.00 0.00 C ATOM 808 CG GLN A 53 12.075 7.062 4.712 1.00 0.00 C ATOM 809 CD GLN A 53 12.284 7.968 5.927 1.00 0.00 C ATOM 810 OE1 GLN A 53 12.010 9.156 5.902 1.00 0.00 O ATOM 811 NE2 GLN A 53 12.783 7.342 6.989 1.00 0.00 N ATOM 0 H GLN A 53 8.227 5.445 5.722 1.00 0.00 H new ATOM 0 HA GLN A 53 10.184 6.486 6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.462 6.368 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.456 8.099 3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.321 6.033 4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.754 7.358 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.990 6.344 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.958 7.860 7.850 1.00 0.00 H new ATOM 820 N GLY A 54 8.045 8.743 5.173 1.00 0.00 N ATOM 821 CA GLY A 54 7.420 10.010 5.516 1.00 0.00 C ATOM 822 C GLY A 54 6.809 10.673 4.280 1.00 0.00 C ATOM 823 O GLY A 54 5.965 11.558 4.400 1.00 0.00 O ATOM 0 H GLY A 54 7.611 8.251 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.646 9.846 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.159 10.675 5.962 1.00 0.00 H new ATOM 827 N ARG A 55 7.261 10.218 3.120 1.00 0.00 N ATOM 828 CA ARG A 55 6.769 10.756 1.863 1.00 0.00 C ATOM 829 C ARG A 55 5.718 9.822 1.261 1.00 0.00 C ATOM 830 O ARG A 55 5.911 8.608 1.220 1.00 0.00 O ATOM 831 CB ARG A 55 7.910 10.943 0.861 1.00 0.00 C ATOM 832 CG ARG A 55 8.050 12.412 0.457 1.00 0.00 C ATOM 833 CD ARG A 55 8.614 12.540 -0.959 1.00 0.00 C ATOM 834 NE ARG A 55 7.848 13.554 -1.718 1.00 0.00 N ATOM 835 CZ ARG A 55 7.979 13.763 -3.036 1.00 0.00 C ATOM 836 NH1 ARG A 55 8.846 13.030 -3.747 1.00 0.00 N ATOM 837 NH2 ARG A 55 7.243 14.705 -3.641 1.00 0.00 N ATOM 0 H ARG A 55 7.962 9.483 3.025 1.00 0.00 H new ATOM 0 HA ARG A 55 6.320 11.727 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.844 10.592 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.725 10.335 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.078 12.902 0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.705 12.926 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.666 12.823 -0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.563 11.578 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 55 7.179 14.130 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.406 12.313 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.946 13.189 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.583 15.263 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.342 14.864 -4.644 1.00 0.00 H new ATOM 851 N VAL A 56 4.627 10.424 0.810 1.00 0.00 N ATOM 852 CA VAL A 56 3.544 9.661 0.212 1.00 0.00 C ATOM 853 C VAL A 56 4.037 9.015 -1.085 1.00 0.00 C ATOM 854 O VAL A 56 4.814 9.615 -1.825 1.00 0.00 O ATOM 855 CB VAL A 56 2.323 10.559 0.007 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.526 11.496 -1.186 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.051 9.724 -0.162 1.00 0.00 C ATOM 0 H VAL A 56 4.470 11.431 0.847 1.00 0.00 H new ATOM 0 HA VAL A 56 3.230 8.856 0.877 1.00 0.00 H new ATOM 0 HB VAL A 56 2.205 11.173 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.643 12.124 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.398 12.126 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.682 10.906 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.197 10.386 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.156 9.073 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.893 9.117 0.730 1.00 0.00 H new ATOM 867 N LEU A 57 3.563 7.800 -1.320 1.00 0.00 N ATOM 868 CA LEU A 57 3.946 7.066 -2.514 1.00 0.00 C ATOM 869 C LEU A 57 3.094 7.541 -3.694 1.00 0.00 C ATOM 870 O LEU A 57 1.872 7.628 -3.586 1.00 0.00 O ATOM 871 CB LEU A 57 3.866 5.559 -2.266 1.00 0.00 C ATOM 872 CG LEU A 57 4.665 5.033 -1.071 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.068 3.726 -0.545 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.146 4.885 -1.424 1.00 0.00 C ATOM 0 H LEU A 57 2.917 7.306 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 57 4.986 7.269 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.819 5.289 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.210 5.044 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 57 4.597 5.765 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.654 3.374 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.039 3.897 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.085 2.975 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.691 4.510 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.254 4.185 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.550 5.855 -1.714 1.00 0.00 H new ATOM 886 N GLN A 58 3.774 7.836 -4.792 1.00 0.00 N ATOM 887 CA GLN A 58 3.095 8.299 -5.990 1.00 0.00 C ATOM 888 C GLN A 58 2.329 7.148 -6.645 1.00 0.00 C ATOM 889 O GLN A 58 2.798 6.011 -6.654 1.00 0.00 O ATOM 890 CB GLN A 58 4.085 8.928 -6.973 1.00 0.00 C ATOM 891 CG GLN A 58 3.751 10.400 -7.222 1.00 0.00 C ATOM 892 CD GLN A 58 2.269 10.576 -7.561 1.00 0.00 C ATOM 893 OE1 GLN A 58 1.758 10.032 -8.527 1.00 0.00 O ATOM 894 NE2 GLN A 58 1.610 11.364 -6.717 1.00 0.00 N ATOM 0 H GLN A 58 4.788 7.763 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 58 2.379 9.069 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.098 8.843 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.063 8.382 -7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.998 10.987 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.363 10.782 -8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.098 11.788 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.616 11.544 -6.858 1.00 0.00 H new ATOM 903 N ASP A 59 1.162 7.483 -7.177 1.00 0.00 N ATOM 904 CA ASP A 59 0.326 6.492 -7.832 1.00 0.00 C ATOM 905 C ASP A 59 1.007 6.029 -9.122 1.00 0.00 C ATOM 906 O ASP A 59 1.094 4.831 -9.387 1.00 0.00 O ATOM 907 CB ASP A 59 -1.038 7.078 -8.201 1.00 0.00 C ATOM 908 CG ASP A 59 -1.003 8.514 -8.728 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.917 9.428 -7.879 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.063 8.666 -9.967 1.00 0.00 O ATOM 0 H ASP A 59 0.776 8.427 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 59 0.186 5.660 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.498 6.441 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.681 7.045 -7.321 1.00 0.00 H new ATOM 915 N ASP A 60 1.472 7.004 -9.890 1.00 0.00 N ATOM 916 CA ASP A 60 2.142 6.712 -11.146 1.00 0.00 C ATOM 917 C ASP A 60 3.438 5.951 -10.862 1.00 0.00 C ATOM 918 O ASP A 60 4.010 5.335 -11.760 1.00 0.00 O ATOM 919 CB ASP A 60 2.502 7.999 -11.890 1.00 0.00 C ATOM 920 CG ASP A 60 1.898 8.127 -13.290 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.771 7.617 -13.471 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.577 8.733 -14.148 1.00 0.00 O ATOM 0 H ASP A 60 1.398 7.996 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 60 1.465 6.118 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.177 8.850 -11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.587 8.062 -11.972 1.00 0.00 H new ATOM 927 N LYS A 61 3.865 6.020 -9.610 1.00 0.00 N ATOM 928 CA LYS A 61 5.084 5.345 -9.197 1.00 0.00 C ATOM 929 C LYS A 61 4.782 3.867 -8.941 1.00 0.00 C ATOM 930 O LYS A 61 3.620 3.466 -8.898 1.00 0.00 O ATOM 931 CB LYS A 61 5.713 6.061 -8.000 1.00 0.00 C ATOM 932 CG LYS A 61 6.825 7.010 -8.451 1.00 0.00 C ATOM 933 CD LYS A 61 8.199 6.485 -8.030 1.00 0.00 C ATOM 934 CE LYS A 61 9.250 7.595 -8.084 1.00 0.00 C ATOM 935 NZ LYS A 61 10.384 7.193 -8.946 1.00 0.00 N ATOM 0 H LYS A 61 3.389 6.533 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 61 5.830 5.385 -9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.947 6.621 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.117 5.326 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.792 7.125 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.662 7.998 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.144 6.081 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.496 5.666 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.801 8.511 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.609 7.813 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.804 8.038 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.102 6.708 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.044 6.550 -9.689 1.00 0.00 H new ATOM 949 N LYS A 62 5.848 3.098 -8.777 1.00 0.00 N ATOM 950 CA LYS A 62 5.712 1.673 -8.526 1.00 0.00 C ATOM 951 C LYS A 62 6.362 1.332 -7.184 1.00 0.00 C ATOM 952 O LYS A 62 7.217 2.071 -6.698 1.00 0.00 O ATOM 953 CB LYS A 62 6.267 0.867 -9.701 1.00 0.00 C ATOM 954 CG LYS A 62 5.688 1.362 -11.028 1.00 0.00 C ATOM 955 CD LYS A 62 6.639 1.060 -12.188 1.00 0.00 C ATOM 956 CE LYS A 62 5.862 0.787 -13.478 1.00 0.00 C ATOM 957 NZ LYS A 62 6.696 1.096 -14.661 1.00 0.00 N ATOM 0 H LYS A 62 6.810 3.435 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 62 4.660 1.398 -8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.354 0.949 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.029 -0.188 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.725 0.885 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.507 2.435 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.315 1.902 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.256 0.196 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.551 -0.257 -13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.955 1.391 -13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.154 0.905 -15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.972 2.098 -14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.549 0.502 -14.649 1.00 0.00 H new ATOM 971 N LEU A 63 5.933 0.211 -6.623 1.00 0.00 N ATOM 972 CA LEU A 63 6.463 -0.238 -5.346 1.00 0.00 C ATOM 973 C LEU A 63 7.974 -0.444 -5.470 1.00 0.00 C ATOM 974 O LEU A 63 8.750 0.176 -4.745 1.00 0.00 O ATOM 975 CB LEU A 63 5.711 -1.478 -4.860 1.00 0.00 C ATOM 976 CG LEU A 63 4.232 -1.559 -5.243 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.608 -0.164 -5.320 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.044 -2.342 -6.544 1.00 0.00 C ATOM 0 H LEU A 63 5.224 -0.400 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 63 6.306 0.522 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.216 -2.361 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.787 -1.522 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 63 3.707 -2.105 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.557 -0.250 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.691 0.326 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.131 0.428 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.984 -2.384 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.586 -1.846 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.428 -3.354 -6.418 1.00 0.00 H new ATOM 990 N GLN A 64 8.346 -1.318 -6.395 1.00 0.00 N ATOM 991 CA GLN A 64 9.750 -1.613 -6.623 1.00 0.00 C ATOM 992 C GLN A 64 10.578 -0.328 -6.572 1.00 0.00 C ATOM 993 O GLN A 64 11.563 -0.249 -5.839 1.00 0.00 O ATOM 994 CB GLN A 64 9.947 -2.340 -7.955 1.00 0.00 C ATOM 995 CG GLN A 64 11.347 -2.952 -8.043 1.00 0.00 C ATOM 996 CD GLN A 64 11.678 -3.359 -9.480 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.399 -2.650 -10.433 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.287 -4.537 -9.583 1.00 0.00 N ATOM 0 H GLN A 64 7.699 -1.831 -6.995 1.00 0.00 H new ATOM 0 HA GLN A 64 10.096 -2.276 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.196 -3.123 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.798 -1.643 -8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.085 -2.234 -7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.409 -3.823 -7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.492 -5.080 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.550 -4.897 -10.501 1.00 0.00 H new ATOM 1007 N GLU A 65 10.149 0.647 -7.359 1.00 0.00 N ATOM 1008 CA GLU A 65 10.838 1.925 -7.413 1.00 0.00 C ATOM 1009 C GLU A 65 11.287 2.344 -6.012 1.00 0.00 C ATOM 1010 O GLU A 65 12.476 2.547 -5.772 1.00 0.00 O ATOM 1011 CB GLU A 65 9.955 2.999 -8.050 1.00 0.00 C ATOM 1012 CG GLU A 65 10.530 3.457 -9.392 1.00 0.00 C ATOM 1013 CD GLU A 65 9.420 3.648 -10.428 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.884 2.615 -10.883 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.132 4.824 -10.740 1.00 0.00 O ATOM 0 H GLU A 65 9.332 0.578 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 65 11.723 1.812 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.948 2.607 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.870 3.852 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.073 4.393 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.248 2.721 -9.754 1.00 0.00 H new ATOM 1022 N TYR A 66 10.312 2.463 -5.123 1.00 0.00 N ATOM 1023 CA TYR A 66 10.591 2.855 -3.752 1.00 0.00 C ATOM 1024 C TYR A 66 11.426 1.790 -3.037 1.00 0.00 C ATOM 1025 O TYR A 66 12.185 2.103 -2.121 1.00 0.00 O ATOM 1026 CB TYR A 66 9.231 2.970 -3.060 1.00 0.00 C ATOM 1027 CG TYR A 66 8.427 4.204 -3.471 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.790 5.451 -3.004 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.338 4.071 -4.309 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.032 6.614 -3.390 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.581 5.234 -4.695 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.965 6.447 -4.217 1.00 0.00 C ATOM 1033 OH TYR A 66 6.250 7.545 -4.582 1.00 0.00 O ATOM 0 H TYR A 66 9.327 2.295 -5.326 1.00 0.00 H new ATOM 0 HA TYR A 66 11.152 3.789 -3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.646 2.077 -3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.384 2.992 -1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.642 5.555 -2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.054 3.095 -4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.305 7.595 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.727 5.144 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 66 6.718 8.015 -5.303 1.00 0.00 H new ATOM 1043 N ASN A 67 11.256 0.554 -3.482 1.00 0.00 N ATOM 1044 CA ASN A 67 11.984 -0.559 -2.896 1.00 0.00 C ATOM 1045 C ASN A 67 11.301 -0.980 -1.593 1.00 0.00 C ATOM 1046 O ASN A 67 11.963 -1.177 -0.576 1.00 0.00 O ATOM 1047 CB ASN A 67 13.425 -0.162 -2.566 1.00 0.00 C ATOM 1048 CG ASN A 67 14.367 -1.360 -2.699 1.00 0.00 C ATOM 1049 OD1 ASN A 67 15.088 -1.511 -3.672 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.322 -2.200 -1.669 1.00 0.00 N ATOM 0 H ASN A 67 10.625 0.298 -4.241 1.00 0.00 H new ATOM 0 HA ASN A 67 11.990 -1.375 -3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.749 0.636 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.474 0.233 -1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.914 -3.030 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.695 -2.014 -0.886 1.00 0.00 H new ATOM 1057 N VAL A 68 9.984 -1.107 -1.668 1.00 0.00 N ATOM 1058 CA VAL A 68 9.204 -1.502 -0.507 1.00 0.00 C ATOM 1059 C VAL A 68 9.052 -3.024 -0.494 1.00 0.00 C ATOM 1060 O VAL A 68 8.150 -3.556 0.151 1.00 0.00 O ATOM 1061 CB VAL A 68 7.862 -0.767 -0.505 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.067 0.749 -0.469 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.010 -1.177 -1.707 1.00 0.00 C ATOM 0 H VAL A 68 9.438 -0.944 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 68 9.716 -1.219 0.412 1.00 0.00 H new ATOM 0 HB VAL A 68 7.325 -1.054 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.098 1.247 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.615 1.021 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.634 1.060 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.062 -0.640 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.540 -0.934 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.820 -2.250 -1.670 1.00 0.00 H new ATOM 1073 N GLY A 69 9.948 -3.682 -1.215 1.00 0.00 N ATOM 1074 CA GLY A 69 9.924 -5.133 -1.294 1.00 0.00 C ATOM 1075 C GLY A 69 10.159 -5.761 0.081 1.00 0.00 C ATOM 1076 O GLY A 69 11.225 -5.594 0.671 1.00 0.00 O ATOM 0 H GLY A 69 10.695 -3.238 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.963 -5.463 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.690 -5.476 -1.990 1.00 0.00 H new ATOM 1080 N GLY A 70 9.144 -6.471 0.553 1.00 0.00 N ATOM 1081 CA GLY A 70 9.226 -7.125 1.848 1.00 0.00 C ATOM 1082 C GLY A 70 9.331 -6.097 2.976 1.00 0.00 C ATOM 1083 O GLY A 70 9.596 -6.453 4.123 1.00 0.00 O ATOM 0 H GLY A 70 8.261 -6.607 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.345 -7.749 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.093 -7.786 1.871 1.00 0.00 H new ATOM 1087 N LYS A 71 9.118 -4.841 2.610 1.00 0.00 N ATOM 1088 CA LYS A 71 9.185 -3.759 3.577 1.00 0.00 C ATOM 1089 C LYS A 71 7.785 -3.490 4.134 1.00 0.00 C ATOM 1090 O LYS A 71 6.798 -4.013 3.619 1.00 0.00 O ATOM 1091 CB LYS A 71 9.847 -2.527 2.957 1.00 0.00 C ATOM 1092 CG LYS A 71 11.261 -2.851 2.469 1.00 0.00 C ATOM 1093 CD LYS A 71 12.275 -2.731 3.608 1.00 0.00 C ATOM 1094 CE LYS A 71 12.622 -1.266 3.881 1.00 0.00 C ATOM 1095 NZ LYS A 71 13.520 -1.156 5.053 1.00 0.00 N ATOM 0 H LYS A 71 8.899 -4.549 1.657 1.00 0.00 H new ATOM 0 HA LYS A 71 9.815 -4.041 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.244 -2.167 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.887 -1.723 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.286 -3.861 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.535 -2.173 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.869 -3.187 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.181 -3.282 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.103 -0.831 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.710 -0.697 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.746 -0.155 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.048 -1.553 5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.398 -1.682 4.868 1.00 0.00 H new ATOM 1109 N VAL A 72 7.744 -2.675 5.177 1.00 0.00 N ATOM 1110 CA VAL A 72 6.482 -2.330 5.809 1.00 0.00 C ATOM 1111 C VAL A 72 6.118 -0.886 5.457 1.00 0.00 C ATOM 1112 O VAL A 72 6.880 0.036 5.741 1.00 0.00 O ATOM 1113 CB VAL A 72 6.567 -2.575 7.317 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.381 -1.938 8.044 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.661 -4.071 7.625 1.00 0.00 C ATOM 0 H VAL A 72 8.565 -2.243 5.601 1.00 0.00 H new ATOM 0 HA VAL A 72 5.681 -2.967 5.435 1.00 0.00 H new ATOM 0 HB VAL A 72 7.477 -2.100 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.466 -2.127 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.379 -0.863 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.452 -2.370 7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.720 -4.217 8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.777 -4.578 7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.552 -4.484 7.153 1.00 0.00 H new ATOM 1125 N ILE A 73 4.953 -0.736 4.844 1.00 0.00 N ATOM 1126 CA ILE A 73 4.478 0.580 4.451 1.00 0.00 C ATOM 1127 C ILE A 73 3.473 1.085 5.487 1.00 0.00 C ATOM 1128 O ILE A 73 3.074 0.344 6.384 1.00 0.00 O ATOM 1129 CB ILE A 73 3.927 0.546 3.024 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.764 -0.375 2.134 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.817 1.958 2.445 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.056 -0.644 0.805 1.00 0.00 C ATOM 0 H ILE A 73 4.324 -1.504 4.610 1.00 0.00 H new ATOM 0 HA ILE A 73 5.302 1.293 4.433 1.00 0.00 H new ATOM 0 HB ILE A 73 2.919 0.132 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.737 0.080 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.947 -1.317 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.423 1.905 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.147 2.554 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.803 2.422 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.672 -1.301 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.094 -1.121 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.896 0.298 0.281 1.00 0.00 H new ATOM 1144 N HIS A 74 3.091 2.344 5.330 1.00 0.00 N ATOM 1145 CA HIS A 74 2.140 2.958 6.241 1.00 0.00 C ATOM 1146 C HIS A 74 0.957 3.517 5.447 1.00 0.00 C ATOM 1147 O HIS A 74 1.004 4.650 4.971 1.00 0.00 O ATOM 1148 CB HIS A 74 2.824 4.016 7.109 1.00 0.00 C ATOM 1149 CG HIS A 74 3.704 3.443 8.194 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.199 2.924 9.373 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.060 3.314 8.267 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.214 2.504 10.115 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.366 2.748 9.427 1.00 0.00 N ATOM 0 H HIS A 74 3.423 2.956 4.585 1.00 0.00 H new ATOM 0 HA HIS A 74 1.750 2.206 6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.426 4.662 6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.060 4.644 7.568 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.765 3.621 7.509 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.141 2.049 11.092 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.308 2.531 9.751 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.076 2.696 5.330 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.270 3.093 4.603 1.00 0.00 C ATOM 1163 C LEU A 75 -2.217 3.832 5.551 1.00 0.00 C ATOM 1164 O LEU A 75 -2.365 3.448 6.710 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.907 1.884 3.917 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.436 1.869 3.868 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.966 2.971 2.949 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -3.958 0.487 3.467 1.00 0.00 C ATOM 0 H LEU A 75 -0.111 1.757 5.727 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.015 3.787 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.530 1.830 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.571 0.982 4.429 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.812 2.077 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.055 2.938 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.638 3.942 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.583 2.819 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.048 0.503 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.574 0.225 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.624 -0.253 4.194 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.834 4.879 5.023 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.762 5.675 5.807 1.00 0.00 C ATOM 1182 C VAL A 76 -5.074 5.828 5.035 1.00 0.00 C ATOM 1183 O VAL A 76 -5.068 5.953 3.812 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.123 7.016 6.172 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -1.897 6.814 7.065 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.762 7.811 4.916 1.00 0.00 C ATOM 0 H VAL A 76 -2.709 5.194 4.061 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.994 5.175 6.747 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.856 7.594 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.462 7.783 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.195 6.308 7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.160 6.207 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.309 8.760 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.055 7.240 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.664 8.001 4.334 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.169 5.813 5.782 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.485 5.949 5.183 1.00 0.00 C ATOM 1198 C GLU A 77 -8.111 7.290 5.575 1.00 0.00 C ATOM 1199 O GLU A 77 -8.254 7.589 6.759 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.392 4.784 5.582 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.771 4.914 4.933 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.883 4.612 5.941 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.661 3.709 6.776 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.928 5.291 5.852 1.00 0.00 O ATOM 0 H GLU A 77 -6.171 5.709 6.797 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.373 5.925 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.933 3.842 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.498 4.756 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.897 5.922 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.845 4.229 4.088 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.467 8.060 4.557 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.073 9.361 4.780 1.00 0.00 C ATOM 1213 C ARG A 78 -10.405 9.207 5.517 1.00 0.00 C ATOM 1214 O ARG A 78 -11.243 8.393 5.129 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.312 10.092 3.457 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.464 11.362 3.371 1.00 0.00 C ATOM 1217 CD ARG A 78 -8.266 11.792 1.916 1.00 0.00 C ATOM 1218 NE ARG A 78 -8.503 13.247 1.782 1.00 0.00 N ATOM 1219 CZ ARG A 78 -9.699 13.830 1.935 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.775 13.087 2.229 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -9.820 15.157 1.794 1.00 0.00 N ATOM 0 H ARG A 78 -8.347 7.808 3.576 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.383 9.948 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.070 9.432 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.367 10.348 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.947 12.164 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.494 11.188 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.255 11.548 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.950 11.243 1.269 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.706 13.843 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.683 12.077 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.686 13.532 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.001 15.723 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.731 15.601 1.910 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.560 10.000 6.567 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.776 9.961 7.362 1.00 0.00 C ATOM 1237 C ALA A 79 -11.874 8.609 8.071 1.00 0.00 C ATOM 1238 O ALA A 79 -11.226 7.644 7.667 1.00 0.00 O ATOM 1239 CB ALA A 79 -12.983 10.237 6.462 1.00 0.00 C ATOM 0 H ALA A 79 -9.864 10.674 6.886 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.758 10.735 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.895 10.208 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.879 11.221 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.035 9.479 5.681 1.00 0.00 H new ATOM 1245 N PRO A 80 -12.710 8.581 9.143 1.00 0.00 N ATOM 1246 CA PRO A 80 -12.901 7.363 9.912 1.00 0.00 C ATOM 1247 C PRO A 80 -13.784 6.369 9.154 1.00 0.00 C ATOM 1248 O PRO A 80 -13.363 5.247 8.877 1.00 0.00 O ATOM 1249 CB PRO A 80 -13.514 7.820 11.226 1.00 0.00 C ATOM 1250 CG PRO A 80 -14.071 9.210 10.965 1.00 0.00 C ATOM 1251 CD PRO A 80 -13.493 9.705 9.649 1.00 0.00 C ATOM 0 HA PRO A 80 -11.969 6.826 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.301 7.138 11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -12.767 7.841 12.019 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.160 9.182 10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.805 9.886 11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.281 9.985 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.870 10.587 9.797 1.00 0.00 H new ATOM 1259 N SER A 81 -14.990 6.817 8.841 1.00 0.00 N ATOM 1260 CA SER A 81 -15.935 5.981 8.120 1.00 0.00 C ATOM 1261 C SER A 81 -15.500 5.837 6.661 1.00 0.00 C ATOM 1262 O SER A 81 -14.677 6.611 6.175 1.00 0.00 O ATOM 1263 CB SER A 81 -17.351 6.557 8.198 1.00 0.00 C ATOM 1264 OG SER A 81 -18.326 5.546 8.433 1.00 0.00 O ATOM 0 H SER A 81 -15.335 7.748 9.073 1.00 0.00 H new ATOM 0 HA SER A 81 -15.946 4.996 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.397 7.298 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.583 7.075 7.268 1.00 0.00 H new ATOM 0 HG SER A 81 -19.216 5.954 8.478 1.00 0.00 H new ATOM 1270 N GLY A 82 -16.072 4.840 6.002 1.00 0.00 N ATOM 1271 CA GLY A 82 -15.753 4.584 4.607 1.00 0.00 C ATOM 1272 C GLY A 82 -16.699 3.540 4.011 1.00 0.00 C ATOM 1273 O GLY A 82 -16.488 2.339 4.178 1.00 0.00 O ATOM 0 H GLY A 82 -16.754 4.200 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.824 5.511 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.723 4.237 4.524 1.00 0.00 H new ATOM 1277 N PRO A 83 -17.748 4.048 3.311 1.00 0.00 N ATOM 1278 CA PRO A 83 -18.727 3.172 2.689 1.00 0.00 C ATOM 1279 C PRO A 83 -18.156 2.520 1.428 1.00 0.00 C ATOM 1280 O PRO A 83 -17.075 2.886 0.970 1.00 0.00 O ATOM 1281 CB PRO A 83 -19.927 4.061 2.406 1.00 0.00 C ATOM 1282 CG PRO A 83 -19.407 5.489 2.452 1.00 0.00 C ATOM 1283 CD PRO A 83 -18.029 5.463 3.093 1.00 0.00 C ATOM 0 HA PRO A 83 -19.010 2.336 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.360 3.834 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.711 3.907 3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.353 5.908 1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -20.083 6.123 3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.282 5.920 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -18.018 6.018 4.031 1.00 0.00 H new ATOM 1291 N SER A 84 -18.909 1.564 0.903 1.00 0.00 N ATOM 1292 CA SER A 84 -18.491 0.857 -0.296 1.00 0.00 C ATOM 1293 C SER A 84 -19.687 0.137 -0.922 1.00 0.00 C ATOM 1294 O SER A 84 -20.694 -0.098 -0.255 1.00 0.00 O ATOM 1295 CB SER A 84 -17.374 -0.141 0.013 1.00 0.00 C ATOM 1296 OG SER A 84 -16.644 -0.504 -1.155 1.00 0.00 O ATOM 0 H SER A 84 -19.805 1.263 1.286 1.00 0.00 H new ATOM 0 HA SER A 84 -18.102 1.588 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.693 0.292 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.802 -1.035 0.465 1.00 0.00 H new ATOM 0 HG SER A 84 -15.939 -1.141 -0.915 1.00 0.00 H new ATOM 1302 N SER A 85 -19.538 -0.195 -2.196 1.00 0.00 N ATOM 1303 CA SER A 85 -20.593 -0.884 -2.919 1.00 0.00 C ATOM 1304 C SER A 85 -20.005 -1.629 -4.119 1.00 0.00 C ATOM 1305 O SER A 85 -19.579 -1.008 -5.092 1.00 0.00 O ATOM 1306 CB SER A 85 -21.675 0.095 -3.380 1.00 0.00 C ATOM 1307 OG SER A 85 -21.195 0.989 -4.381 1.00 0.00 O ATOM 0 H SER A 85 -18.702 0.001 -2.746 1.00 0.00 H new ATOM 0 HA SER A 85 -21.056 -1.604 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 85 -22.526 -0.463 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 85 -22.034 0.667 -2.525 1.00 0.00 H new ATOM 0 HG SER A 85 -20.486 0.552 -4.898 1.00 0.00 H new ATOM 1313 N GLY A 86 -20.000 -2.949 -4.011 1.00 0.00 N ATOM 1314 CA GLY A 86 -19.471 -3.785 -5.075 1.00 0.00 C ATOM 1315 C GLY A 86 -19.241 -5.216 -4.585 1.00 0.00 C ATOM 1316 O GLY A 86 -18.171 -5.784 -4.798 1.00 0.00 O ATOM 0 H GLY A 86 -20.354 -3.461 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -20.165 -3.792 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.533 -3.366 -5.439 1.00 0.00 H new TER 1320 GLY A 86