USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 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 56 ASN : amide:sc= -4! C(o=-6.7!,f=-6.7!) USER MOD Set 1.2: A 63 GLN : amide:sc= -2.7 K(o=-6.7,f=-8.4!) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot -151:sc= -0.752 USER MOD Set 2.2: A 21 GLN : amide:sc= 0 X(o=-0.75,f=-0.77) USER MOD Set 3.1: A 9 THR OG1 : rot -106:sc= 1.23 USER MOD Set 3.2: A 41 SER OG : rot -69:sc= -2.17! USER MOD Single : A 1 MET CE :methyl -119:sc= -0.23 (180deg=-2.96!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -32:sc= 0.278 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -150:sc= -0.502 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 20 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.71) USER MOD Single : A 22 SER OG : rot -29:sc= -0.282 USER MOD Single : A 25 THR OG1 : rot -21:sc= 0.35 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.754 K(o=-0.75,f=-1.8) USER MOD Single : A 42 GLN : amide:sc= -0.846 K(o=-0.85,f=-3.8!) USER MOD Single : A 44 ASN : amide:sc= -1.03 K(o=-1,f=-0.2) USER MOD Single : A 50 MET CE :methyl -131:sc= -3.21 (180deg=-6.77!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.98 K(o=-2,f=-5.5!) USER MOD Single : A 69 GLN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 71 CYS SG : rot -105:sc= 0.925 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 84 ASN : amide:sc= -0.676 K(o=-0.68,f=-1.6) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 87 GLN : amide:sc= -7.89! C(o=-7.9!,f=-8.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.191 -4.457 1.120 1.00 0.00 N ATOM 2 CA MET A 1 18.159 -3.006 0.798 1.00 0.00 C ATOM 3 C MET A 1 17.171 -2.711 -0.325 1.00 0.00 C ATOM 4 O MET A 1 17.561 -2.545 -1.481 1.00 0.00 O ATOM 5 CB MET A 1 19.567 -2.566 0.392 1.00 0.00 C ATOM 6 CG MET A 1 19.885 -1.126 0.762 1.00 0.00 C ATOM 7 SD MET A 1 19.620 0.017 -0.607 1.00 0.00 S ATOM 8 CE MET A 1 17.917 0.493 -0.327 1.00 0.00 C ATOM 0 H1 MET A 1 18.872 -4.627 1.887 1.00 0.00 H new ATOM 0 H2 MET A 1 17.245 -4.767 1.421 1.00 0.00 H new ATOM 0 H3 MET A 1 18.479 -4.993 0.277 1.00 0.00 H new ATOM 0 HA MET A 1 17.830 -2.452 1.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.295 -3.224 0.867 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.681 -2.689 -0.685 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.264 -0.826 1.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.922 -1.060 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.312 0.204 -1.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.542 -0.007 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.859 1.573 -0.190 1.00 0.00 H new ATOM 20 N SER A 2 15.890 -2.648 0.022 1.00 0.00 N ATOM 21 CA SER A 2 14.845 -2.373 -0.957 1.00 0.00 C ATOM 22 C SER A 2 13.884 -1.306 -0.440 1.00 0.00 C ATOM 23 O SER A 2 13.652 -1.197 0.764 1.00 0.00 O ATOM 24 CB SER A 2 14.075 -3.653 -1.287 1.00 0.00 C ATOM 25 OG SER A 2 14.690 -4.358 -2.351 1.00 0.00 O ATOM 0 H SER A 2 15.550 -2.784 0.974 1.00 0.00 H new ATOM 0 HA SER A 2 15.320 -2.000 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.027 -4.290 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.049 -3.404 -1.557 1.00 0.00 H new ATOM 0 HG SER A 2 14.180 -5.173 -2.542 1.00 0.00 H new ATOM 31 N GLY A 3 13.329 -0.521 -1.358 1.00 0.00 N ATOM 32 CA GLY A 3 12.402 0.527 -0.974 1.00 0.00 C ATOM 33 C GLY A 3 10.959 0.157 -1.255 1.00 0.00 C ATOM 34 O GLY A 3 10.661 -0.498 -2.253 1.00 0.00 O ATOM 0 H GLY A 3 13.505 -0.592 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.519 0.740 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.650 1.442 -1.511 1.00 0.00 H new ATOM 38 N LEU A 4 10.061 0.580 -0.371 1.00 0.00 N ATOM 39 CA LEU A 4 8.640 0.292 -0.525 1.00 0.00 C ATOM 40 C LEU A 4 7.797 1.292 0.261 1.00 0.00 C ATOM 41 O LEU A 4 7.819 1.304 1.491 1.00 0.00 O ATOM 42 CB LEU A 4 8.331 -1.131 -0.056 1.00 0.00 C ATOM 43 CG LEU A 4 8.588 -2.226 -1.093 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.179 -3.585 -0.547 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.843 -1.922 -2.384 1.00 0.00 C ATOM 0 H LEU A 4 10.293 1.124 0.460 1.00 0.00 H new ATOM 0 HA LEU A 4 8.389 0.380 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.930 -1.343 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.285 -1.178 0.248 1.00 0.00 H new ATOM 0 HG LEU A 4 9.656 -2.251 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.369 -4.351 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.757 -3.806 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.117 -3.574 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.037 -2.711 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.773 -1.869 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.184 -0.968 -2.785 1.00 0.00 H new ATOM 57 N ARG A 5 7.058 2.131 -0.458 1.00 0.00 N ATOM 58 CA ARG A 5 6.211 3.135 0.176 1.00 0.00 C ATOM 59 C ARG A 5 4.763 2.660 0.254 1.00 0.00 C ATOM 60 O ARG A 5 4.096 2.500 -0.767 1.00 0.00 O ATOM 61 CB ARG A 5 6.284 4.455 -0.593 1.00 0.00 C ATOM 62 CG ARG A 5 7.693 4.832 -1.026 1.00 0.00 C ATOM 63 CD ARG A 5 7.988 6.298 -0.754 1.00 0.00 C ATOM 64 NE ARG A 5 8.900 6.866 -1.744 1.00 0.00 N ATOM 65 CZ ARG A 5 10.220 6.690 -1.724 1.00 0.00 C ATOM 66 NH1 ARG A 5 10.785 5.961 -0.770 1.00 0.00 N ATOM 67 NH2 ARG A 5 10.976 7.244 -2.662 1.00 0.00 N ATOM 0 H ARG A 5 7.028 2.136 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 5 6.578 3.291 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.648 4.387 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.879 5.252 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.415 4.211 -0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.815 4.627 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.055 6.862 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.422 6.402 0.240 1.00 0.00 H new ATOM 0 HE ARG A 5 8.502 7.431 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.208 5.532 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.796 5.830 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.547 7.804 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.987 7.110 -2.647 1.00 0.00 H new ATOM 81 N VAL A 6 4.284 2.438 1.474 1.00 0.00 N ATOM 82 CA VAL A 6 2.914 1.985 1.687 1.00 0.00 C ATOM 83 C VAL A 6 2.063 3.093 2.297 1.00 0.00 C ATOM 84 O VAL A 6 2.314 3.536 3.418 1.00 0.00 O ATOM 85 CB VAL A 6 2.866 0.750 2.606 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.449 0.202 2.694 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.829 -0.321 2.116 1.00 0.00 C ATOM 0 H VAL A 6 4.824 2.564 2.330 1.00 0.00 H new ATOM 0 HA VAL A 6 2.512 1.715 0.710 1.00 0.00 H new ATOM 0 HB VAL A 6 3.176 1.054 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.436 -0.670 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.787 0.968 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.107 -0.085 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.780 -1.185 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.554 -0.623 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.844 0.076 2.112 1.00 0.00 H new ATOM 97 N TYR A 7 1.057 3.541 1.553 1.00 0.00 N ATOM 98 CA TYR A 7 0.173 4.600 2.024 1.00 0.00 C ATOM 99 C TYR A 7 -0.897 4.048 2.956 1.00 0.00 C ATOM 100 O TYR A 7 -1.405 2.944 2.754 1.00 0.00 O ATOM 101 CB TYR A 7 -0.484 5.313 0.841 1.00 0.00 C ATOM 102 CG TYR A 7 0.380 6.389 0.223 1.00 0.00 C ATOM 103 CD1 TYR A 7 1.338 6.074 -0.734 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.238 7.720 0.595 1.00 0.00 C ATOM 105 CE1 TYR A 7 2.128 7.056 -1.301 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.024 8.706 0.032 1.00 0.00 C ATOM 107 CZ TYR A 7 1.968 8.369 -0.915 1.00 0.00 C ATOM 108 OH TYR A 7 2.753 9.349 -1.479 1.00 0.00 O ATOM 0 H TYR A 7 0.834 3.187 0.623 1.00 0.00 H new ATOM 0 HA TYR A 7 0.777 5.316 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.733 4.576 0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.422 5.758 1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.467 5.046 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.500 7.988 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.868 6.795 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.900 9.736 0.332 1.00 0.00 H new ATOM 0 HH TYR A 7 2.513 10.220 -1.099 1.00 0.00 H new ATOM 118 N SER A 8 -1.235 4.826 3.979 1.00 0.00 N ATOM 119 CA SER A 8 -2.246 4.421 4.949 1.00 0.00 C ATOM 120 C SER A 8 -2.792 5.630 5.700 1.00 0.00 C ATOM 121 O SER A 8 -2.379 6.764 5.455 1.00 0.00 O ATOM 122 CB SER A 8 -1.658 3.414 5.939 1.00 0.00 C ATOM 123 OG SER A 8 -0.892 2.427 5.270 1.00 0.00 O ATOM 0 H SER A 8 -0.823 5.742 4.158 1.00 0.00 H new ATOM 0 HA SER A 8 -3.067 3.950 4.407 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.032 3.935 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.463 2.937 6.498 1.00 0.00 H new ATOM 0 HG SER A 8 -1.276 2.260 4.384 1.00 0.00 H new ATOM 129 N THR A 9 -3.724 5.382 6.615 1.00 0.00 N ATOM 130 CA THR A 9 -4.326 6.452 7.401 1.00 0.00 C ATOM 131 C THR A 9 -4.239 6.146 8.893 1.00 0.00 C ATOM 132 O THR A 9 -4.787 5.149 9.365 1.00 0.00 O ATOM 133 CB THR A 9 -5.786 6.653 6.994 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.398 7.647 7.796 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.619 5.394 7.108 1.00 0.00 C ATOM 0 H THR A 9 -4.078 4.450 6.830 1.00 0.00 H new ATOM 0 HA THR A 9 -3.772 7.370 7.204 1.00 0.00 H new ATOM 0 HB THR A 9 -5.754 6.954 5.947 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.004 7.222 8.438 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.644 5.607 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.202 4.622 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.612 5.045 8.141 1.00 0.00 H new ATOM 143 N SER A 10 -3.548 7.010 9.631 1.00 0.00 N ATOM 144 CA SER A 10 -3.390 6.832 11.071 1.00 0.00 C ATOM 145 C SER A 10 -4.748 6.768 11.764 1.00 0.00 C ATOM 146 O SER A 10 -4.950 5.975 12.683 1.00 0.00 O ATOM 147 CB SER A 10 -2.558 7.974 11.658 1.00 0.00 C ATOM 148 OG SER A 10 -1.182 7.637 11.693 1.00 0.00 O ATOM 0 H SER A 10 -3.089 7.840 9.256 1.00 0.00 H new ATOM 0 HA SER A 10 -2.871 5.889 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.700 8.875 11.062 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.906 8.201 12.666 1.00 0.00 H new ATOM 0 HG SER A 10 -0.672 8.384 12.071 1.00 0.00 H new ATOM 154 N VAL A 11 -5.675 7.607 11.314 1.00 0.00 N ATOM 155 CA VAL A 11 -7.015 7.645 11.889 1.00 0.00 C ATOM 156 C VAL A 11 -8.051 7.129 10.895 1.00 0.00 C ATOM 157 O VAL A 11 -8.131 7.605 9.763 1.00 0.00 O ATOM 158 CB VAL A 11 -7.398 9.074 12.326 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.433 10.013 11.130 1.00 0.00 C ATOM 160 CG2 VAL A 11 -8.736 9.071 13.052 1.00 0.00 C ATOM 0 H VAL A 11 -5.523 8.269 10.553 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.005 6.998 12.766 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.636 9.436 13.017 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.705 11.015 11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.450 10.041 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.169 9.657 10.409 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.989 10.088 13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.510 8.686 12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.669 8.437 13.936 1.00 0.00 H new ATOM 170 N THR A 12 -8.841 6.151 11.325 1.00 0.00 N ATOM 171 CA THR A 12 -9.871 5.570 10.471 1.00 0.00 C ATOM 172 C THR A 12 -11.189 5.429 11.225 1.00 0.00 C ATOM 173 O THR A 12 -11.204 5.161 12.426 1.00 0.00 O ATOM 174 CB THR A 12 -9.420 4.204 9.952 1.00 0.00 C ATOM 175 OG1 THR A 12 -8.024 4.195 9.712 1.00 0.00 O ATOM 176 CG2 THR A 12 -10.109 3.795 8.668 1.00 0.00 C ATOM 0 H THR A 12 -8.788 5.744 12.259 1.00 0.00 H new ATOM 0 HA THR A 12 -10.027 6.240 9.626 1.00 0.00 H new ATOM 0 HB THR A 12 -9.691 3.494 10.733 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.819 3.558 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.744 2.817 8.355 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.185 3.745 8.833 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.895 4.528 7.891 1.00 0.00 H new ATOM 184 N GLY A 13 -12.295 5.610 10.509 1.00 0.00 N ATOM 185 CA GLY A 13 -13.604 5.497 11.125 1.00 0.00 C ATOM 186 C GLY A 13 -14.389 4.310 10.604 1.00 0.00 C ATOM 187 O GLY A 13 -15.225 3.750 11.313 1.00 0.00 O ATOM 0 H GLY A 13 -12.307 5.833 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.487 5.406 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.169 6.411 10.941 1.00 0.00 H new ATOM 191 N SER A 14 -14.120 3.925 9.361 1.00 0.00 N ATOM 192 CA SER A 14 -14.807 2.796 8.744 1.00 0.00 C ATOM 193 C SER A 14 -14.484 1.497 9.475 1.00 0.00 C ATOM 194 O SER A 14 -13.678 1.481 10.405 1.00 0.00 O ATOM 195 CB SER A 14 -14.415 2.677 7.270 1.00 0.00 C ATOM 196 OG SER A 14 -14.761 3.849 6.554 1.00 0.00 O ATOM 0 H SER A 14 -13.431 4.378 8.761 1.00 0.00 H new ATOM 0 HA SER A 14 -15.880 2.974 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.342 2.501 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.914 1.815 6.826 1.00 0.00 H new ATOM 0 HG SER A 14 -14.958 3.617 5.623 1.00 0.00 H new ATOM 202 N ARG A 15 -15.119 0.411 9.048 1.00 0.00 N ATOM 203 CA ARG A 15 -14.900 -0.896 9.663 1.00 0.00 C ATOM 204 C ARG A 15 -14.204 -1.852 8.711 1.00 0.00 C ATOM 205 O ARG A 15 -13.702 -2.904 9.109 1.00 0.00 O ATOM 206 CB ARG A 15 -16.227 -1.494 10.118 1.00 0.00 C ATOM 207 CG ARG A 15 -16.904 -0.704 11.227 1.00 0.00 C ATOM 208 CD ARG A 15 -17.685 -1.613 12.163 1.00 0.00 C ATOM 209 NE ARG A 15 -19.127 -1.502 11.957 1.00 0.00 N ATOM 210 CZ ARG A 15 -20.035 -2.034 12.771 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.656 -2.711 13.848 1.00 0.00 N ATOM 212 NH2 ARG A 15 -21.327 -1.889 12.509 1.00 0.00 N ATOM 0 H ARG A 15 -15.789 0.408 8.279 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.252 -0.749 10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.901 -1.554 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.057 -2.514 10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.153 -0.155 11.795 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.576 0.035 10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.375 -2.646 12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.446 -1.361 13.196 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.457 -0.986 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.664 -2.826 14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.357 -3.117 14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.625 -1.370 11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.023 -2.297 13.133 1.00 0.00 H new ATOM 226 N GLU A 16 -14.180 -1.465 7.461 1.00 0.00 N ATOM 227 CA GLU A 16 -13.548 -2.256 6.412 1.00 0.00 C ATOM 228 C GLU A 16 -12.164 -1.706 6.086 1.00 0.00 C ATOM 229 O GLU A 16 -11.252 -2.455 5.735 1.00 0.00 O ATOM 230 CB GLU A 16 -14.417 -2.264 5.154 1.00 0.00 C ATOM 231 CG GLU A 16 -15.878 -2.584 5.426 1.00 0.00 C ATOM 232 CD GLU A 16 -16.486 -3.482 4.366 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.029 -4.636 4.233 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.419 -3.030 3.669 1.00 0.00 O ATOM 0 H GLU A 16 -14.596 -0.594 7.132 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.441 -3.279 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.351 -1.289 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.018 -2.996 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.965 -3.067 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.446 -1.655 5.479 1.00 0.00 H new ATOM 241 N ILE A 17 -12.019 -0.391 6.206 1.00 0.00 N ATOM 242 CA ILE A 17 -10.750 0.269 5.927 1.00 0.00 C ATOM 243 C ILE A 17 -9.699 -0.101 6.969 1.00 0.00 C ATOM 244 O ILE A 17 -8.506 -0.155 6.670 1.00 0.00 O ATOM 245 CB ILE A 17 -10.917 1.802 5.896 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.990 2.197 4.879 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.593 2.479 5.567 1.00 0.00 C ATOM 248 CD1 ILE A 17 -12.238 3.689 4.811 1.00 0.00 C ATOM 0 H ILE A 17 -12.767 0.240 6.495 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.417 -0.073 4.947 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.234 2.136 6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.693 1.841 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.923 1.693 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.732 3.560 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.854 2.220 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.245 2.142 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.010 3.896 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.566 4.048 5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.317 4.198 4.527 1.00 0.00 H new ATOM 260 N LYS A 18 -10.150 -0.357 8.193 1.00 0.00 N ATOM 261 CA LYS A 18 -9.247 -0.723 9.279 1.00 0.00 C ATOM 262 C LYS A 18 -8.677 -2.121 9.065 1.00 0.00 C ATOM 263 O LYS A 18 -7.551 -2.412 9.468 1.00 0.00 O ATOM 264 CB LYS A 18 -9.977 -0.656 10.622 1.00 0.00 C ATOM 265 CG LYS A 18 -9.850 0.689 11.317 1.00 0.00 C ATOM 266 CD LYS A 18 -11.129 1.062 12.049 1.00 0.00 C ATOM 267 CE LYS A 18 -10.835 1.736 13.379 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.082 2.104 14.104 1.00 0.00 N ATOM 0 H LYS A 18 -11.134 -0.318 8.458 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.421 -0.012 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.033 -0.875 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.585 -1.433 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.021 0.657 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.613 1.458 10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.724 1.729 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.727 0.166 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.238 1.068 14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.237 2.631 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.837 2.561 15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.640 2.762 13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.641 1.247 14.291 1.00 0.00 H new ATOM 282 N SER A 19 -9.463 -2.984 8.428 1.00 0.00 N ATOM 283 CA SER A 19 -9.036 -4.352 8.160 1.00 0.00 C ATOM 284 C SER A 19 -8.101 -4.405 6.956 1.00 0.00 C ATOM 285 O SER A 19 -7.196 -5.237 6.896 1.00 0.00 O ATOM 286 CB SER A 19 -10.251 -5.249 7.916 1.00 0.00 C ATOM 287 OG SER A 19 -11.377 -4.791 8.645 1.00 0.00 O ATOM 0 H SER A 19 -10.398 -2.760 8.088 1.00 0.00 H new ATOM 0 HA SER A 19 -8.494 -4.714 9.034 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.486 -5.267 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.016 -6.272 8.208 1.00 0.00 H new ATOM 0 HG SER A 19 -12.141 -5.380 8.471 1.00 0.00 H new ATOM 293 N GLN A 20 -8.327 -3.511 5.999 1.00 0.00 N ATOM 294 CA GLN A 20 -7.505 -3.455 4.796 1.00 0.00 C ATOM 295 C GLN A 20 -6.065 -3.084 5.139 1.00 0.00 C ATOM 296 O GLN A 20 -5.120 -3.647 4.587 1.00 0.00 O ATOM 297 CB GLN A 20 -8.084 -2.445 3.803 1.00 0.00 C ATOM 298 CG GLN A 20 -8.938 -3.080 2.717 1.00 0.00 C ATOM 299 CD GLN A 20 -10.261 -3.599 3.245 1.00 0.00 C ATOM 300 OE1 GLN A 20 -10.351 -4.730 3.724 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.297 -2.773 3.159 1.00 0.00 N ATOM 0 H GLN A 20 -9.072 -2.816 6.033 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.507 -4.444 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.685 -1.717 4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.266 -1.897 3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.126 -2.347 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.386 -3.901 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.177 -1.844 2.755 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.213 -3.067 3.497 1.00 0.00 H new ATOM 310 N GLN A 21 -5.906 -2.132 6.053 1.00 0.00 N ATOM 311 CA GLN A 21 -4.582 -1.686 6.469 1.00 0.00 C ATOM 312 C GLN A 21 -3.946 -2.687 7.428 1.00 0.00 C ATOM 313 O GLN A 21 -2.725 -2.843 7.459 1.00 0.00 O ATOM 314 CB GLN A 21 -4.670 -0.310 7.133 1.00 0.00 C ATOM 315 CG GLN A 21 -5.637 -0.261 8.304 1.00 0.00 C ATOM 316 CD GLN A 21 -5.125 0.593 9.448 1.00 0.00 C ATOM 317 OE1 GLN A 21 -4.302 0.149 10.248 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.611 1.826 9.530 1.00 0.00 N ATOM 0 H GLN A 21 -6.678 -1.655 6.519 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.955 -1.614 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.678 -0.019 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.976 0.425 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.595 0.131 7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.817 -1.274 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.292 2.152 8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.303 2.447 10.279 1.00 0.00 H new ATOM 327 N SER A 22 -4.781 -3.363 8.211 1.00 0.00 N ATOM 328 CA SER A 22 -4.300 -4.348 9.171 1.00 0.00 C ATOM 329 C SER A 22 -3.777 -5.592 8.460 1.00 0.00 C ATOM 330 O SER A 22 -2.761 -6.164 8.856 1.00 0.00 O ATOM 331 CB SER A 22 -5.418 -4.734 10.142 1.00 0.00 C ATOM 332 OG SER A 22 -6.437 -5.465 9.482 1.00 0.00 O ATOM 0 H SER A 22 -5.794 -3.246 8.199 1.00 0.00 H new ATOM 0 HA SER A 22 -3.479 -3.900 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.007 -5.331 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.842 -3.835 10.589 1.00 0.00 H new ATOM 0 HG SER A 22 -6.474 -5.197 8.540 1.00 0.00 H new ATOM 338 N GLU A 23 -4.476 -6.006 7.409 1.00 0.00 N ATOM 339 CA GLU A 23 -4.081 -7.182 6.643 1.00 0.00 C ATOM 340 C GLU A 23 -2.751 -6.950 5.934 1.00 0.00 C ATOM 341 O GLU A 23 -1.895 -7.834 5.894 1.00 0.00 O ATOM 342 CB GLU A 23 -5.162 -7.538 5.620 1.00 0.00 C ATOM 343 CG GLU A 23 -5.287 -9.031 5.362 1.00 0.00 C ATOM 344 CD GLU A 23 -6.237 -9.711 6.327 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.062 -9.540 7.552 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.156 -10.416 5.859 1.00 0.00 O ATOM 0 H GLU A 23 -5.319 -5.544 7.068 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.961 -8.013 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.121 -7.157 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.942 -7.032 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.635 -9.192 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.303 -9.493 5.440 1.00 0.00 H new ATOM 353 N VAL A 24 -2.583 -5.756 5.376 1.00 0.00 N ATOM 354 CA VAL A 24 -1.357 -5.408 4.669 1.00 0.00 C ATOM 355 C VAL A 24 -0.144 -5.519 5.587 1.00 0.00 C ATOM 356 O VAL A 24 0.841 -6.178 5.253 1.00 0.00 O ATOM 357 CB VAL A 24 -1.424 -3.980 4.094 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.200 -3.687 3.240 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.703 -3.786 3.291 1.00 0.00 C ATOM 0 H VAL A 24 -3.281 -5.013 5.400 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.254 -6.116 3.847 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.434 -3.275 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.267 -2.674 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.699 -3.780 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.154 -4.397 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.732 -2.772 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.727 -4.500 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.566 -3.947 3.937 1.00 0.00 H new ATOM 369 N THR A 25 -0.222 -4.871 6.744 1.00 0.00 N ATOM 370 CA THR A 25 0.869 -4.898 7.710 1.00 0.00 C ATOM 371 C THR A 25 1.091 -6.311 8.240 1.00 0.00 C ATOM 372 O THR A 25 2.215 -6.692 8.569 1.00 0.00 O ATOM 373 CB THR A 25 0.575 -3.946 8.871 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.595 -4.345 9.562 1.00 0.00 O ATOM 375 CG2 THR A 25 0.383 -2.510 8.433 1.00 0.00 C ATOM 0 H THR A 25 -1.030 -4.321 7.035 1.00 0.00 H new ATOM 0 HA THR A 25 1.777 -4.572 7.203 1.00 0.00 H new ATOM 0 HB THR A 25 1.452 -3.998 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.140 -4.915 8.980 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.178 -1.888 9.304 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.288 -2.156 7.939 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.456 -2.450 7.739 1.00 0.00 H new ATOM 383 N ARG A 26 0.013 -7.083 8.320 1.00 0.00 N ATOM 384 CA ARG A 26 0.089 -8.455 8.811 1.00 0.00 C ATOM 385 C ARG A 26 1.011 -9.296 7.934 1.00 0.00 C ATOM 386 O ARG A 26 2.000 -9.852 8.411 1.00 0.00 O ATOM 387 CB ARG A 26 -1.306 -9.081 8.853 1.00 0.00 C ATOM 388 CG ARG A 26 -1.548 -9.948 10.079 1.00 0.00 C ATOM 389 CD ARG A 26 -2.961 -9.779 10.614 1.00 0.00 C ATOM 390 NE ARG A 26 -3.570 -11.059 10.967 1.00 0.00 N ATOM 391 CZ ARG A 26 -3.318 -11.712 12.099 1.00 0.00 C ATOM 392 NH1 ARG A 26 -2.471 -11.211 12.990 1.00 0.00 N ATOM 393 NH2 ARG A 26 -3.916 -12.871 12.342 1.00 0.00 N ATOM 0 H ARG A 26 -0.924 -6.783 8.051 1.00 0.00 H new ATOM 0 HA ARG A 26 0.500 -8.432 9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.052 -8.287 8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.451 -9.685 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.377 -10.994 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.830 -9.688 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.941 -9.133 11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.575 -9.280 9.864 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.227 -11.477 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.009 -10.320 12.809 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.283 -11.717 13.855 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.568 -13.261 11.662 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.724 -13.372 13.209 1.00 0.00 H new ATOM 407 N ILE A 27 0.680 -9.385 6.650 1.00 0.00 N ATOM 408 CA ILE A 27 1.478 -10.159 5.707 1.00 0.00 C ATOM 409 C ILE A 27 2.890 -9.593 5.589 1.00 0.00 C ATOM 410 O ILE A 27 3.870 -10.337 5.603 1.00 0.00 O ATOM 411 CB ILE A 27 0.829 -10.185 4.309 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.641 -10.600 4.409 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.589 -11.127 3.388 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.560 -9.786 3.525 1.00 0.00 C ATOM 0 H ILE A 27 -0.135 -8.931 6.239 1.00 0.00 H new ATOM 0 HA ILE A 27 1.527 -11.176 6.095 1.00 0.00 H new ATOM 0 HB ILE A 27 0.875 -9.181 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.732 -11.653 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.968 -10.504 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.118 -11.134 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.621 -10.789 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.574 -12.134 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.585 -10.135 3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.498 -8.735 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.259 -9.901 2.484 1.00 0.00 H new ATOM 426 N LEU A 28 2.985 -8.273 5.474 1.00 0.00 N ATOM 427 CA LEU A 28 4.277 -7.607 5.354 1.00 0.00 C ATOM 428 C LEU A 28 5.122 -7.829 6.605 1.00 0.00 C ATOM 429 O LEU A 28 6.299 -8.181 6.517 1.00 0.00 O ATOM 430 CB LEU A 28 4.081 -6.109 5.116 1.00 0.00 C ATOM 431 CG LEU A 28 3.341 -5.749 3.826 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.766 -4.344 3.916 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.271 -5.872 2.628 1.00 0.00 C ATOM 0 H LEU A 28 2.183 -7.643 5.461 1.00 0.00 H new ATOM 0 HA LEU A 28 4.802 -8.038 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.532 -5.691 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.059 -5.628 5.102 1.00 0.00 H new ATOM 0 HG LEU A 28 2.516 -6.449 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.243 -4.105 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.068 -4.289 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.574 -3.629 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.729 -5.613 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.116 -5.195 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.635 -6.897 2.554 1.00 0.00 H new ATOM 445 N ASP A 29 4.513 -7.620 7.768 1.00 0.00 N ATOM 446 CA ASP A 29 5.207 -7.798 9.038 1.00 0.00 C ATOM 447 C ASP A 29 5.703 -9.232 9.188 1.00 0.00 C ATOM 448 O ASP A 29 6.890 -9.469 9.411 1.00 0.00 O ATOM 449 CB ASP A 29 4.284 -7.439 10.204 1.00 0.00 C ATOM 450 CG ASP A 29 5.002 -7.466 11.539 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.677 -8.476 11.830 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.889 -6.478 12.294 1.00 0.00 O ATOM 0 H ASP A 29 3.540 -7.327 7.857 1.00 0.00 H new ATOM 0 HA ASP A 29 6.069 -7.131 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.865 -6.446 10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.448 -8.138 10.230 1.00 0.00 H new ATOM 457 N GLY A 30 4.786 -10.186 9.063 1.00 0.00 N ATOM 458 CA GLY A 30 5.150 -11.585 9.185 1.00 0.00 C ATOM 459 C GLY A 30 6.213 -11.994 8.185 1.00 0.00 C ATOM 460 O GLY A 30 7.010 -12.895 8.448 1.00 0.00 O ATOM 0 H GLY A 30 3.797 -10.015 8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.512 -11.777 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.263 -12.202 9.042 1.00 0.00 H new ATOM 464 N LYS A 31 6.226 -11.326 7.036 1.00 0.00 N ATOM 465 CA LYS A 31 7.200 -11.620 5.991 1.00 0.00 C ATOM 466 C LYS A 31 8.565 -11.018 6.324 1.00 0.00 C ATOM 467 O LYS A 31 9.567 -11.349 5.690 1.00 0.00 O ATOM 468 CB LYS A 31 6.710 -11.084 4.645 1.00 0.00 C ATOM 469 CG LYS A 31 5.794 -12.045 3.905 1.00 0.00 C ATOM 470 CD LYS A 31 5.199 -11.403 2.663 1.00 0.00 C ATOM 471 CE LYS A 31 6.130 -11.533 1.468 1.00 0.00 C ATOM 472 NZ LYS A 31 5.921 -12.814 0.738 1.00 0.00 N ATOM 0 H LYS A 31 5.573 -10.577 6.805 1.00 0.00 H new ATOM 0 HA LYS A 31 7.309 -12.703 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.182 -10.144 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.572 -10.860 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.353 -12.937 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.992 -12.368 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.242 -11.872 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.999 -10.349 2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.967 -10.697 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.165 -11.472 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.575 -12.864 -0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.101 -13.613 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.941 -12.861 0.393 1.00 0.00 H new ATOM 486 N ARG A 32 8.599 -10.134 7.319 1.00 0.00 N ATOM 487 CA ARG A 32 9.842 -9.491 7.728 1.00 0.00 C ATOM 488 C ARG A 32 10.411 -8.640 6.597 1.00 0.00 C ATOM 489 O ARG A 32 11.609 -8.684 6.313 1.00 0.00 O ATOM 490 CB ARG A 32 10.867 -10.542 8.165 1.00 0.00 C ATOM 491 CG ARG A 32 10.816 -10.859 9.650 1.00 0.00 C ATOM 492 CD ARG A 32 11.414 -9.736 10.482 1.00 0.00 C ATOM 493 NE ARG A 32 12.251 -10.243 11.566 1.00 0.00 N ATOM 494 CZ ARG A 32 12.901 -9.464 12.428 1.00 0.00 C ATOM 495 NH1 ARG A 32 12.814 -8.143 12.335 1.00 0.00 N ATOM 496 NH2 ARG A 32 13.641 -10.007 13.385 1.00 0.00 N ATOM 0 H ARG A 32 7.780 -9.848 7.855 1.00 0.00 H new ATOM 0 HA ARG A 32 9.624 -8.838 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.699 -11.459 7.600 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.867 -10.190 7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.782 -11.026 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.358 -11.785 9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.008 -9.086 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.612 -9.127 10.898 1.00 0.00 H new ATOM 0 HE ARG A 32 12.343 -11.254 11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.247 -7.720 11.600 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.314 -7.551 12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.712 -11.022 13.461 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.139 -9.410 14.045 1.00 0.00 H new ATOM 510 N ILE A 33 9.544 -7.864 5.955 1.00 0.00 N ATOM 511 CA ILE A 33 9.959 -7.003 4.858 1.00 0.00 C ATOM 512 C ILE A 33 10.331 -5.616 5.365 1.00 0.00 C ATOM 513 O ILE A 33 9.913 -5.201 6.446 1.00 0.00 O ATOM 514 CB ILE A 33 8.851 -6.866 3.796 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.345 -8.245 3.371 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.363 -6.090 2.591 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.278 -8.193 2.298 1.00 0.00 C ATOM 0 H ILE A 33 8.550 -7.815 6.177 1.00 0.00 H new ATOM 0 HA ILE A 33 10.831 -7.471 4.402 1.00 0.00 H new ATOM 0 HB ILE A 33 8.019 -6.314 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.186 -8.836 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.946 -8.762 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.568 -6.002 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.677 -5.095 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.211 -6.616 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.966 -9.206 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.420 -7.630 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.679 -7.705 1.410 1.00 0.00 H new ATOM 529 N GLN A 34 11.117 -4.905 4.570 1.00 0.00 N ATOM 530 CA GLN A 34 11.551 -3.559 4.922 1.00 0.00 C ATOM 531 C GLN A 34 10.687 -2.517 4.217 1.00 0.00 C ATOM 532 O GLN A 34 11.195 -1.637 3.522 1.00 0.00 O ATOM 533 CB GLN A 34 13.022 -3.360 4.551 1.00 0.00 C ATOM 534 CG GLN A 34 13.961 -4.334 5.244 1.00 0.00 C ATOM 535 CD GLN A 34 14.740 -3.690 6.374 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.931 -3.947 6.547 1.00 0.00 O ATOM 537 NE2 GLN A 34 14.069 -2.847 7.150 1.00 0.00 N ATOM 0 H GLN A 34 11.469 -5.239 3.673 1.00 0.00 H new ATOM 0 HA GLN A 34 11.440 -3.433 5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.134 -3.466 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.317 -2.342 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.384 -5.172 5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.659 -4.742 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.082 -2.663 6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.541 -2.383 7.926 1.00 0.00 H new ATOM 546 N TYR A 35 9.376 -2.632 4.398 1.00 0.00 N ATOM 547 CA TYR A 35 8.433 -1.709 3.777 1.00 0.00 C ATOM 548 C TYR A 35 8.266 -0.442 4.611 1.00 0.00 C ATOM 549 O TYR A 35 8.609 -0.412 5.793 1.00 0.00 O ATOM 550 CB TYR A 35 7.075 -2.391 3.587 1.00 0.00 C ATOM 551 CG TYR A 35 6.362 -2.702 4.885 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.682 -3.836 5.621 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.371 -1.861 5.374 1.00 0.00 C ATOM 554 CE1 TYR A 35 6.033 -4.123 6.807 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.718 -2.140 6.559 1.00 0.00 C ATOM 556 CZ TYR A 35 5.053 -3.272 7.272 1.00 0.00 C ATOM 557 OH TYR A 35 4.405 -3.554 8.453 1.00 0.00 O ATOM 0 H TYR A 35 8.942 -3.356 4.970 1.00 0.00 H new ATOM 0 HA TYR A 35 8.834 -1.425 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.438 -1.749 2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.219 -3.317 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.450 -4.504 5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.106 -0.974 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.292 -5.009 7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.949 -1.475 6.925 1.00 0.00 H new ATOM 0 HH TYR A 35 3.744 -2.854 8.639 1.00 0.00 H new ATOM 567 N GLN A 36 7.731 0.599 3.982 1.00 0.00 N ATOM 568 CA GLN A 36 7.506 1.874 4.654 1.00 0.00 C ATOM 569 C GLN A 36 6.017 2.083 4.909 1.00 0.00 C ATOM 570 O GLN A 36 5.196 1.239 4.550 1.00 0.00 O ATOM 571 CB GLN A 36 8.060 3.021 3.803 1.00 0.00 C ATOM 572 CG GLN A 36 8.747 4.115 4.607 1.00 0.00 C ATOM 573 CD GLN A 36 9.786 3.573 5.569 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.309 2.474 5.383 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.091 4.344 6.605 1.00 0.00 N ATOM 0 H GLN A 36 7.444 0.584 3.003 1.00 0.00 H new ATOM 0 HA GLN A 36 8.026 1.861 5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.770 2.615 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.243 3.463 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.223 4.818 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.997 4.674 5.167 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.633 5.248 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.784 4.033 7.286 1.00 0.00 H new ATOM 584 N LEU A 37 5.669 3.211 5.519 1.00 0.00 N ATOM 585 CA LEU A 37 4.282 3.521 5.804 1.00 0.00 C ATOM 586 C LEU A 37 4.038 5.001 5.604 1.00 0.00 C ATOM 587 O LEU A 37 4.000 5.776 6.559 1.00 0.00 O ATOM 588 CB LEU A 37 3.930 3.117 7.230 1.00 0.00 C ATOM 589 CG LEU A 37 2.442 2.874 7.488 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.223 2.358 8.902 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.646 4.150 7.256 1.00 0.00 C ATOM 0 H LEU A 37 6.333 3.923 5.824 1.00 0.00 H new ATOM 0 HA LEU A 37 3.646 2.959 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.479 2.209 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.278 3.896 7.908 1.00 0.00 H new ATOM 0 HG LEU A 37 2.090 2.116 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.159 2.191 9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.763 1.420 9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.591 3.093 9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.589 3.959 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.000 4.928 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.777 4.478 6.225 1.00 0.00 H new ATOM 603 N VAL A 38 3.876 5.384 4.351 1.00 0.00 N ATOM 604 CA VAL A 38 3.637 6.776 4.017 1.00 0.00 C ATOM 605 C VAL A 38 2.182 7.129 4.269 1.00 0.00 C ATOM 606 O VAL A 38 1.366 7.181 3.350 1.00 0.00 O ATOM 607 CB VAL A 38 4.003 7.092 2.552 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.506 7.276 2.409 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.504 6.000 1.617 1.00 0.00 C ATOM 0 H VAL A 38 3.905 4.753 3.550 1.00 0.00 H new ATOM 0 HA VAL A 38 4.281 7.379 4.657 1.00 0.00 H new ATOM 0 HB VAL A 38 3.511 8.024 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.748 7.498 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.834 8.101 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.015 6.361 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.775 6.248 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.959 5.049 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.420 5.920 1.697 1.00 0.00 H new ATOM 619 N ASP A 39 1.871 7.361 5.535 1.00 0.00 N ATOM 620 CA ASP A 39 0.512 7.700 5.941 1.00 0.00 C ATOM 621 C ASP A 39 0.206 9.166 5.654 1.00 0.00 C ATOM 622 O ASP A 39 0.928 10.061 6.093 1.00 0.00 O ATOM 623 CB ASP A 39 0.313 7.410 7.431 1.00 0.00 C ATOM 624 CG ASP A 39 1.426 7.982 8.288 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.248 8.758 7.756 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.475 7.654 9.492 1.00 0.00 O ATOM 0 H ASP A 39 2.542 7.321 6.302 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.175 7.083 5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.641 7.827 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.258 6.332 7.584 1.00 0.00 H new ATOM 631 N ILE A 40 -0.868 9.397 4.907 1.00 0.00 N ATOM 632 CA ILE A 40 -1.277 10.748 4.547 1.00 0.00 C ATOM 633 C ILE A 40 -1.994 11.442 5.702 1.00 0.00 C ATOM 634 O ILE A 40 -2.004 12.670 5.788 1.00 0.00 O ATOM 635 CB ILE A 40 -2.198 10.743 3.311 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.479 9.959 3.600 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.470 10.151 2.112 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.481 10.008 2.469 1.00 0.00 C ATOM 0 H ILE A 40 -1.472 8.663 4.538 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.366 11.299 4.313 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.471 11.772 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.222 8.919 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.942 10.355 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.132 10.154 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.584 10.748 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.171 9.127 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.365 9.431 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.766 11.043 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.035 9.585 1.569 1.00 0.00 H new ATOM 650 N SER A 41 -2.588 10.651 6.590 1.00 0.00 N ATOM 651 CA SER A 41 -3.300 11.198 7.739 1.00 0.00 C ATOM 652 C SER A 41 -2.362 12.037 8.600 1.00 0.00 C ATOM 653 O SER A 41 -2.790 12.975 9.273 1.00 0.00 O ATOM 654 CB SER A 41 -3.909 10.070 8.575 1.00 0.00 C ATOM 655 OG SER A 41 -5.167 10.450 9.105 1.00 0.00 O ATOM 0 H SER A 41 -2.590 9.632 6.536 1.00 0.00 H new ATOM 0 HA SER A 41 -4.103 11.837 7.372 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.025 9.178 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.232 9.810 9.388 1.00 0.00 H new ATOM 0 HG SER A 41 -5.039 11.143 9.786 1.00 0.00 H new ATOM 661 N GLN A 42 -1.080 11.694 8.565 1.00 0.00 N ATOM 662 CA GLN A 42 -0.071 12.411 9.333 1.00 0.00 C ATOM 663 C GLN A 42 0.065 13.847 8.838 1.00 0.00 C ATOM 664 O GLN A 42 -0.211 14.797 9.571 1.00 0.00 O ATOM 665 CB GLN A 42 1.274 11.693 9.226 1.00 0.00 C ATOM 666 CG GLN A 42 2.323 12.212 10.195 1.00 0.00 C ATOM 667 CD GLN A 42 3.400 13.028 9.507 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.151 14.139 9.040 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.607 12.478 9.442 1.00 0.00 N ATOM 0 H GLN A 42 -0.714 10.920 8.010 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.384 12.434 10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.123 10.628 9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.650 11.795 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.838 12.825 10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.784 11.370 10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.769 11.554 9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.372 12.980 8.991 1.00 0.00 H new ATOM 678 N ASP A 43 0.490 13.996 7.587 1.00 0.00 N ATOM 679 CA ASP A 43 0.662 15.315 6.989 1.00 0.00 C ATOM 680 C ASP A 43 -0.369 15.549 5.889 1.00 0.00 C ATOM 681 O ASP A 43 -0.549 14.711 5.005 1.00 0.00 O ATOM 682 CB ASP A 43 2.075 15.460 6.421 1.00 0.00 C ATOM 683 CG ASP A 43 2.636 16.855 6.615 1.00 0.00 C ATOM 684 OD1 ASP A 43 2.172 17.784 5.920 1.00 0.00 O ATOM 685 OD2 ASP A 43 3.539 17.020 7.462 1.00 0.00 O ATOM 0 H ASP A 43 0.722 13.219 6.968 1.00 0.00 H new ATOM 0 HA ASP A 43 0.514 16.064 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.733 14.737 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.062 15.221 5.358 1.00 0.00 H new ATOM 690 N ASN A 44 -1.042 16.693 5.949 1.00 0.00 N ATOM 691 CA ASN A 44 -2.056 17.038 4.958 1.00 0.00 C ATOM 692 C ASN A 44 -1.453 17.129 3.558 1.00 0.00 C ATOM 693 O ASN A 44 -2.167 17.035 2.560 1.00 0.00 O ATOM 694 CB ASN A 44 -2.725 18.364 5.325 1.00 0.00 C ATOM 695 CG ASN A 44 -1.747 19.523 5.329 1.00 0.00 C ATOM 696 OD1 ASN A 44 -1.312 19.979 6.386 1.00 0.00 O ATOM 697 ND2 ASN A 44 -1.397 20.005 4.142 1.00 0.00 N ATOM 0 H ASN A 44 -0.904 17.398 6.673 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.805 16.246 4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.527 18.571 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.184 18.276 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.742 20.785 4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.783 19.595 3.291 1.00 0.00 H new ATOM 704 N ALA A 45 -0.138 17.316 3.490 1.00 0.00 N ATOM 705 CA ALA A 45 0.552 17.422 2.209 1.00 0.00 C ATOM 706 C ALA A 45 0.522 16.099 1.455 1.00 0.00 C ATOM 707 O ALA A 45 0.468 16.076 0.227 1.00 0.00 O ATOM 708 CB ALA A 45 1.987 17.880 2.419 1.00 0.00 C ATOM 0 H ALA A 45 0.470 17.397 4.305 1.00 0.00 H new ATOM 0 HA ALA A 45 0.029 18.164 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.490 17.955 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.990 18.855 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.511 17.159 3.047 1.00 0.00 H new ATOM 714 N LEU A 46 0.552 14.998 2.196 1.00 0.00 N ATOM 715 CA LEU A 46 0.523 13.675 1.590 1.00 0.00 C ATOM 716 C LEU A 46 -0.860 13.381 1.019 1.00 0.00 C ATOM 717 O LEU A 46 -0.996 12.651 0.037 1.00 0.00 O ATOM 718 CB LEU A 46 0.905 12.611 2.620 1.00 0.00 C ATOM 719 CG LEU A 46 2.409 12.386 2.792 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.726 11.970 4.220 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.907 11.339 1.807 1.00 0.00 C ATOM 0 H LEU A 46 0.596 14.996 3.215 1.00 0.00 H new ATOM 0 HA LEU A 46 1.248 13.652 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.483 12.893 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.442 11.667 2.333 1.00 0.00 H new ATOM 0 HG LEU A 46 2.924 13.324 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.800 11.814 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.405 12.753 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.201 11.044 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.978 11.192 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.386 10.398 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.714 11.676 0.789 1.00 0.00 H new ATOM 733 N ARG A 47 -1.883 13.962 1.640 1.00 0.00 N ATOM 734 CA ARG A 47 -3.256 13.770 1.194 1.00 0.00 C ATOM 735 C ARG A 47 -3.476 14.413 -0.172 1.00 0.00 C ATOM 736 O ARG A 47 -4.034 13.793 -1.078 1.00 0.00 O ATOM 737 CB ARG A 47 -4.233 14.357 2.216 1.00 0.00 C ATOM 738 CG ARG A 47 -5.067 13.306 2.932 1.00 0.00 C ATOM 739 CD ARG A 47 -5.586 13.818 4.267 1.00 0.00 C ATOM 740 NE ARG A 47 -6.994 13.486 4.470 1.00 0.00 N ATOM 741 CZ ARG A 47 -7.998 14.097 3.846 1.00 0.00 C ATOM 742 NH1 ARG A 47 -7.754 15.072 2.979 1.00 0.00 N ATOM 743 NH2 ARG A 47 -9.249 13.733 4.089 1.00 0.00 N ATOM 0 H ARG A 47 -1.785 14.569 2.454 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.439 12.699 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.673 14.930 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.900 15.055 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.907 13.016 2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.466 12.411 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.992 13.390 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.458 14.899 4.315 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.221 12.742 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.793 15.356 2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.527 15.537 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.442 12.984 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.019 14.201 3.611 1.00 0.00 H new ATOM 757 N ASP A 48 -3.033 15.660 -0.316 1.00 0.00 N ATOM 758 CA ASP A 48 -3.185 16.378 -1.577 1.00 0.00 C ATOM 759 C ASP A 48 -2.046 16.064 -2.537 1.00 0.00 C ATOM 760 O ASP A 48 -2.005 16.564 -3.662 1.00 0.00 O ATOM 761 CB ASP A 48 -3.270 17.884 -1.331 1.00 0.00 C ATOM 762 CG ASP A 48 -4.313 18.555 -2.203 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.513 18.473 -1.864 1.00 0.00 O ATOM 764 OD2 ASP A 48 -3.931 19.162 -3.226 1.00 0.00 O ATOM 0 H ASP A 48 -2.569 16.191 0.421 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.115 16.043 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.506 18.065 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.296 18.336 -1.521 1.00 0.00 H new ATOM 769 N GLU A 49 -1.138 15.221 -2.087 1.00 0.00 N ATOM 770 CA GLU A 49 0.002 14.808 -2.895 1.00 0.00 C ATOM 771 C GLU A 49 -0.251 13.432 -3.500 1.00 0.00 C ATOM 772 O GLU A 49 0.228 13.120 -4.591 1.00 0.00 O ATOM 773 CB GLU A 49 1.279 14.787 -2.049 1.00 0.00 C ATOM 774 CG GLU A 49 2.497 14.264 -2.794 1.00 0.00 C ATOM 775 CD GLU A 49 2.946 15.195 -3.904 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.607 16.396 -3.844 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.636 14.724 -4.832 1.00 0.00 O ATOM 0 H GLU A 49 -1.165 14.803 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 49 0.133 15.528 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.486 15.797 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.110 14.169 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.317 14.123 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.268 13.286 -3.216 1.00 0.00 H new ATOM 784 N MET A 50 -1.010 12.613 -2.778 1.00 0.00 N ATOM 785 CA MET A 50 -1.337 11.267 -3.232 1.00 0.00 C ATOM 786 C MET A 50 -2.516 11.294 -4.200 1.00 0.00 C ATOM 787 O MET A 50 -2.490 10.644 -5.244 1.00 0.00 O ATOM 788 CB MET A 50 -1.661 10.370 -2.035 1.00 0.00 C ATOM 789 CG MET A 50 -2.023 8.944 -2.419 1.00 0.00 C ATOM 790 SD MET A 50 -0.573 7.931 -2.772 1.00 0.00 S ATOM 791 CE MET A 50 -0.171 8.479 -4.429 1.00 0.00 C ATOM 0 H MET A 50 -1.411 12.860 -1.873 1.00 0.00 H new ATOM 0 HA MET A 50 -0.471 10.862 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.802 10.349 -1.365 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.489 10.808 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.592 8.487 -1.610 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.672 8.961 -3.295 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.024 7.612 -5.073 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.987 9.087 -4.819 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.744 9.072 -4.404 1.00 0.00 H new ATOM 801 N ARG A 51 -3.547 12.053 -3.845 1.00 0.00 N ATOM 802 CA ARG A 51 -4.736 12.168 -4.681 1.00 0.00 C ATOM 803 C ARG A 51 -4.376 12.679 -6.074 1.00 0.00 C ATOM 804 O ARG A 51 -5.043 12.355 -7.056 1.00 0.00 O ATOM 805 CB ARG A 51 -5.755 13.104 -4.027 1.00 0.00 C ATOM 806 CG ARG A 51 -6.872 12.375 -3.299 1.00 0.00 C ATOM 807 CD ARG A 51 -6.485 12.050 -1.865 1.00 0.00 C ATOM 808 NE ARG A 51 -7.590 11.449 -1.123 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.678 12.116 -0.742 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.808 13.405 -1.029 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.637 11.492 -0.073 1.00 0.00 N ATOM 0 H ARG A 51 -3.583 12.598 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.177 11.176 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.238 13.755 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.190 13.746 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.772 12.990 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.113 11.454 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.635 11.368 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.163 12.961 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.525 10.460 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.073 13.890 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.643 13.911 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.542 10.501 0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.470 12.003 0.219 1.00 0.00 H new ATOM 825 N ALA A 52 -3.317 13.479 -6.150 1.00 0.00 N ATOM 826 CA ALA A 52 -2.869 14.035 -7.421 1.00 0.00 C ATOM 827 C ALA A 52 -2.058 13.014 -8.212 1.00 0.00 C ATOM 828 O ALA A 52 -2.365 12.724 -9.368 1.00 0.00 O ATOM 829 CB ALA A 52 -2.049 15.294 -7.186 1.00 0.00 C ATOM 0 H ALA A 52 -2.754 13.756 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.751 14.293 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.721 15.699 -8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.659 16.035 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.178 15.053 -6.577 1.00 0.00 H new ATOM 835 N LEU A 53 -1.021 12.473 -7.581 1.00 0.00 N ATOM 836 CA LEU A 53 -0.164 11.485 -8.227 1.00 0.00 C ATOM 837 C LEU A 53 -0.929 10.193 -8.498 1.00 0.00 C ATOM 838 O LEU A 53 -0.627 9.468 -9.446 1.00 0.00 O ATOM 839 CB LEU A 53 1.059 11.193 -7.356 1.00 0.00 C ATOM 840 CG LEU A 53 2.116 12.299 -7.332 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.281 11.904 -6.438 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.602 12.602 -8.741 1.00 0.00 C ATOM 0 H LEU A 53 -0.754 12.702 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 53 0.167 11.897 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.724 11.010 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.526 10.273 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 53 1.661 13.202 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.023 12.703 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.920 11.737 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.736 10.989 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.353 13.391 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.040 11.704 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.762 12.929 -9.353 1.00 0.00 H new ATOM 854 N ALA A 54 -1.921 9.909 -7.659 1.00 0.00 N ATOM 855 CA ALA A 54 -2.727 8.704 -7.807 1.00 0.00 C ATOM 856 C ALA A 54 -3.744 8.847 -8.936 1.00 0.00 C ATOM 857 O ALA A 54 -4.265 7.853 -9.442 1.00 0.00 O ATOM 858 CB ALA A 54 -3.432 8.378 -6.499 1.00 0.00 C ATOM 0 H ALA A 54 -2.185 10.498 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.057 7.884 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.031 7.476 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.691 8.217 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.081 9.208 -6.219 1.00 0.00 H new ATOM 864 N GLY A 55 -4.027 10.087 -9.327 1.00 0.00 N ATOM 865 CA GLY A 55 -4.984 10.324 -10.392 1.00 0.00 C ATOM 866 C GLY A 55 -6.377 9.853 -10.027 1.00 0.00 C ATOM 867 O GLY A 55 -7.054 9.211 -10.830 1.00 0.00 O ATOM 0 H GLY A 55 -3.612 10.928 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.012 11.389 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.654 9.811 -11.295 1.00 0.00 H new ATOM 871 N ASN A 56 -6.805 10.175 -8.811 1.00 0.00 N ATOM 872 CA ASN A 56 -8.125 9.785 -8.332 1.00 0.00 C ATOM 873 C ASN A 56 -8.347 10.286 -6.923 1.00 0.00 C ATOM 874 O ASN A 56 -7.685 9.857 -5.979 1.00 0.00 O ATOM 875 CB ASN A 56 -8.308 8.265 -8.388 1.00 0.00 C ATOM 876 CG ASN A 56 -7.045 7.509 -8.022 1.00 0.00 C ATOM 877 OD1 ASN A 56 -6.474 6.795 -8.846 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.602 7.663 -6.780 1.00 0.00 N ATOM 0 H ASN A 56 -6.254 10.707 -8.137 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.866 10.241 -8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.110 7.975 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.620 7.978 -9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.757 7.179 -6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.107 8.265 -6.129 1.00 0.00 H new ATOM 885 N PRO A 57 -9.287 11.223 -6.771 1.00 0.00 N ATOM 886 CA PRO A 57 -9.612 11.817 -5.493 1.00 0.00 C ATOM 887 C PRO A 57 -10.658 11.019 -4.721 1.00 0.00 C ATOM 888 O PRO A 57 -11.374 11.563 -3.881 1.00 0.00 O ATOM 889 CB PRO A 57 -10.158 13.193 -5.886 1.00 0.00 C ATOM 890 CG PRO A 57 -10.248 13.219 -7.380 1.00 0.00 C ATOM 891 CD PRO A 57 -10.105 11.804 -7.837 1.00 0.00 C ATOM 0 HA PRO A 57 -8.751 11.854 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.137 13.361 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.502 13.985 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.201 13.637 -7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.464 13.845 -7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.070 11.305 -7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.617 11.736 -8.809 1.00 0.00 H new ATOM 899 N LYS A 58 -10.733 9.726 -5.008 1.00 0.00 N ATOM 900 CA LYS A 58 -11.681 8.844 -4.339 1.00 0.00 C ATOM 901 C LYS A 58 -10.995 7.565 -3.860 1.00 0.00 C ATOM 902 O LYS A 58 -11.650 6.648 -3.365 1.00 0.00 O ATOM 903 CB LYS A 58 -12.836 8.495 -5.280 1.00 0.00 C ATOM 904 CG LYS A 58 -14.014 9.450 -5.176 1.00 0.00 C ATOM 905 CD LYS A 58 -15.341 8.706 -5.192 1.00 0.00 C ATOM 906 CE LYS A 58 -15.862 8.520 -6.609 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.218 9.109 -6.784 1.00 0.00 N ATOM 0 H LYS A 58 -10.146 9.263 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.075 9.370 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.470 8.493 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.178 7.483 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.933 10.030 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.983 10.158 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.218 7.732 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.075 9.257 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.171 8.983 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.895 7.457 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.537 8.961 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.883 8.649 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.182 10.129 -6.582 1.00 0.00 H new ATOM 921 N ALA A 59 -9.672 7.508 -4.011 1.00 0.00 N ATOM 922 CA ALA A 59 -8.903 6.342 -3.595 1.00 0.00 C ATOM 923 C ALA A 59 -9.081 6.064 -2.105 1.00 0.00 C ATOM 924 O ALA A 59 -9.983 6.604 -1.465 1.00 0.00 O ATOM 925 CB ALA A 59 -7.430 6.540 -3.930 1.00 0.00 C ATOM 0 H ALA A 59 -9.113 8.257 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.277 5.476 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.864 5.663 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.317 6.678 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.054 7.421 -3.410 1.00 0.00 H new ATOM 931 N THR A 60 -8.211 5.219 -1.560 1.00 0.00 N ATOM 932 CA THR A 60 -8.265 4.866 -0.146 1.00 0.00 C ATOM 933 C THR A 60 -6.858 4.665 0.411 1.00 0.00 C ATOM 934 O THR A 60 -5.911 4.450 -0.346 1.00 0.00 O ATOM 935 CB THR A 60 -9.094 3.595 0.052 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.765 2.625 -0.926 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.586 3.837 -0.025 1.00 0.00 C ATOM 0 H THR A 60 -7.459 4.765 -2.078 1.00 0.00 H new ATOM 0 HA THR A 60 -8.739 5.685 0.395 1.00 0.00 H new ATOM 0 HB THR A 60 -8.850 3.243 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.304 1.819 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.115 2.896 0.124 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.880 4.545 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.838 4.245 -1.004 1.00 0.00 H new ATOM 945 N PRO A 61 -6.700 4.742 1.746 1.00 0.00 N ATOM 946 CA PRO A 61 -5.411 4.580 2.413 1.00 0.00 C ATOM 947 C PRO A 61 -4.521 3.524 1.750 1.00 0.00 C ATOM 948 O PRO A 61 -3.350 3.784 1.473 1.00 0.00 O ATOM 949 CB PRO A 61 -5.787 4.155 3.841 1.00 0.00 C ATOM 950 CG PRO A 61 -7.277 4.307 3.959 1.00 0.00 C ATOM 951 CD PRO A 61 -7.763 5.008 2.718 1.00 0.00 C ATOM 0 HA PRO A 61 -4.824 5.498 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.487 3.124 4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.275 4.775 4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.754 3.332 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.534 4.882 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.723 4.615 2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.897 6.077 2.886 1.00 0.00 H new ATOM 959 N PRO A 62 -5.057 2.319 1.480 1.00 0.00 N ATOM 960 CA PRO A 62 -4.288 1.243 0.844 1.00 0.00 C ATOM 961 C PRO A 62 -3.779 1.636 -0.538 1.00 0.00 C ATOM 962 O PRO A 62 -4.497 1.518 -1.530 1.00 0.00 O ATOM 963 CB PRO A 62 -5.291 0.088 0.730 1.00 0.00 C ATOM 964 CG PRO A 62 -6.366 0.407 1.710 1.00 0.00 C ATOM 965 CD PRO A 62 -6.442 1.906 1.766 1.00 0.00 C ATOM 0 HA PRO A 62 -3.398 0.992 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.690 0.011 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.819 -0.867 0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.319 -0.021 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.136 -0.009 2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.141 2.302 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.774 2.257 2.743 1.00 0.00 H new ATOM 973 N GLN A 63 -2.537 2.102 -0.596 1.00 0.00 N ATOM 974 CA GLN A 63 -1.933 2.509 -1.860 1.00 0.00 C ATOM 975 C GLN A 63 -0.420 2.324 -1.820 1.00 0.00 C ATOM 976 O GLN A 63 0.300 3.131 -1.232 1.00 0.00 O ATOM 977 CB GLN A 63 -2.278 3.967 -2.170 1.00 0.00 C ATOM 978 CG GLN A 63 -3.720 4.172 -2.604 1.00 0.00 C ATOM 979 CD GLN A 63 -4.038 3.479 -3.915 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.167 3.308 -4.767 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.292 3.075 -4.081 1.00 0.00 N ATOM 0 H GLN A 63 -1.929 2.208 0.216 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.337 1.876 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.084 4.574 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.616 4.329 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.386 3.796 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.917 5.239 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.982 3.238 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.566 2.602 -4.942 1.00 0.00 H new ATOM 990 N ILE A 64 0.056 1.254 -2.447 1.00 0.00 N ATOM 991 CA ILE A 64 1.483 0.960 -2.478 1.00 0.00 C ATOM 992 C ILE A 64 2.184 1.734 -3.589 1.00 0.00 C ATOM 993 O ILE A 64 1.679 1.834 -4.707 1.00 0.00 O ATOM 994 CB ILE A 64 1.742 -0.546 -2.674 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.907 -1.361 -1.685 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.222 -0.855 -2.507 1.00 0.00 C ATOM 997 CD1 ILE A 64 0.831 -2.833 -2.026 1.00 0.00 C ATOM 0 H ILE A 64 -0.525 0.576 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 64 1.889 1.269 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 64 1.445 -0.823 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.330 -1.249 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.103 -0.952 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.389 -1.923 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.796 -0.297 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.543 -0.567 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.223 -3.348 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.380 -2.956 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.835 -3.258 -2.031 1.00 0.00 H new ATOM 1009 N VAL A 65 3.354 2.279 -3.271 1.00 0.00 N ATOM 1010 CA VAL A 65 4.132 3.044 -4.238 1.00 0.00 C ATOM 1011 C VAL A 65 5.598 2.622 -4.209 1.00 0.00 C ATOM 1012 O VAL A 65 6.176 2.416 -3.142 1.00 0.00 O ATOM 1013 CB VAL A 65 4.030 4.559 -3.967 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.833 5.355 -4.988 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.574 5.001 -3.966 1.00 0.00 C ATOM 0 H VAL A 65 3.784 2.205 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 65 3.717 2.836 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 65 4.454 4.756 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.743 6.420 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.881 5.062 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.450 5.154 -5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.519 6.072 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.127 4.783 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.031 4.464 -3.188 1.00 0.00 H new ATOM 1025 N ASN A 66 6.190 2.494 -5.390 1.00 0.00 N ATOM 1026 CA ASN A 66 7.588 2.095 -5.509 1.00 0.00 C ATOM 1027 C ASN A 66 8.365 3.092 -6.363 1.00 0.00 C ATOM 1028 O ASN A 66 8.006 3.352 -7.511 1.00 0.00 O ATOM 1029 CB ASN A 66 7.689 0.693 -6.117 1.00 0.00 C ATOM 1030 CG ASN A 66 8.469 -0.266 -5.238 1.00 0.00 C ATOM 1031 OD1 ASN A 66 8.101 -1.432 -5.095 1.00 0.00 O ATOM 1032 ND2 ASN A 66 9.552 0.221 -4.644 1.00 0.00 N ATOM 0 H ASN A 66 5.723 2.661 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 66 8.025 2.082 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.686 0.298 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.169 0.758 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.116 -0.378 -4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.820 1.194 -4.791 1.00 0.00 H new ATOM 1039 N GLY A 67 9.429 3.649 -5.795 1.00 0.00 N ATOM 1040 CA GLY A 67 10.235 4.612 -6.521 1.00 0.00 C ATOM 1041 C GLY A 67 9.452 5.855 -6.897 1.00 0.00 C ATOM 1042 O GLY A 67 9.762 6.515 -7.888 1.00 0.00 O ATOM 0 H GLY A 67 9.747 3.451 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.093 4.897 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.627 4.146 -7.425 1.00 0.00 H new ATOM 1046 N ASP A 68 8.434 6.173 -6.102 1.00 0.00 N ATOM 1047 CA ASP A 68 7.599 7.344 -6.350 1.00 0.00 C ATOM 1048 C ASP A 68 6.718 7.136 -7.578 1.00 0.00 C ATOM 1049 O ASP A 68 6.450 8.075 -8.327 1.00 0.00 O ATOM 1050 CB ASP A 68 8.465 8.593 -6.533 1.00 0.00 C ATOM 1051 CG ASP A 68 7.916 9.792 -5.785 1.00 0.00 C ATOM 1052 OD1 ASP A 68 6.932 10.393 -6.266 1.00 0.00 O ATOM 1053 OD2 ASP A 68 8.470 10.130 -4.718 1.00 0.00 O ATOM 0 H ASP A 68 8.167 5.634 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 68 6.955 7.485 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.477 8.384 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.535 8.831 -7.594 1.00 0.00 H new ATOM 1058 N GLN A 69 6.269 5.900 -7.777 1.00 0.00 N ATOM 1059 CA GLN A 69 5.421 5.570 -8.909 1.00 0.00 C ATOM 1060 C GLN A 69 4.126 4.921 -8.437 1.00 0.00 C ATOM 1061 O GLN A 69 4.065 4.357 -7.346 1.00 0.00 O ATOM 1062 CB GLN A 69 6.159 4.630 -9.859 1.00 0.00 C ATOM 1063 CG GLN A 69 6.909 5.351 -10.966 1.00 0.00 C ATOM 1064 CD GLN A 69 7.371 4.413 -12.064 1.00 0.00 C ATOM 1065 OE1 GLN A 69 8.569 4.220 -12.269 1.00 0.00 O ATOM 1066 NE2 GLN A 69 6.419 3.824 -12.778 1.00 0.00 N ATOM 0 H GLN A 69 6.481 5.112 -7.165 1.00 0.00 H new ATOM 0 HA GLN A 69 5.175 6.491 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.864 4.028 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.442 3.942 -10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.265 6.118 -11.396 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.774 5.861 -10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.438 4.013 -12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.669 3.183 -13.531 1.00 0.00 H new ATOM 1075 N TYR A 70 3.093 5.000 -9.263 1.00 0.00 N ATOM 1076 CA TYR A 70 1.803 4.418 -8.921 1.00 0.00 C ATOM 1077 C TYR A 70 1.806 2.914 -9.172 1.00 0.00 C ATOM 1078 O TYR A 70 1.591 2.460 -10.296 1.00 0.00 O ATOM 1079 CB TYR A 70 0.689 5.082 -9.731 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.698 4.796 -9.203 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.005 4.985 -7.862 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.702 4.337 -10.047 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.272 4.724 -7.376 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -2.972 4.075 -9.569 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.251 4.270 -8.233 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.514 4.009 -7.753 1.00 0.00 O ATOM 0 H TYR A 70 3.122 5.460 -10.173 1.00 0.00 H new ATOM 0 HA TYR A 70 1.621 4.592 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.850 6.160 -9.739 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.752 4.743 -10.765 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.241 5.342 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.486 4.182 -11.094 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.494 4.875 -6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.742 3.720 -10.238 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.085 3.698 -8.486 1.00 0.00 H new ATOM 1096 N CYS A 71 2.057 2.147 -8.116 1.00 0.00 N ATOM 1097 CA CYS A 71 2.094 0.693 -8.220 1.00 0.00 C ATOM 1098 C CYS A 71 0.685 0.109 -8.226 1.00 0.00 C ATOM 1099 O CYS A 71 0.266 -0.510 -9.203 1.00 0.00 O ATOM 1100 CB CYS A 71 2.899 0.099 -7.062 1.00 0.00 C ATOM 1101 SG CYS A 71 3.787 -1.418 -7.483 1.00 0.00 S ATOM 0 H CYS A 71 2.238 2.508 -7.179 1.00 0.00 H new ATOM 0 HA CYS A 71 2.578 0.435 -9.162 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.616 0.842 -6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.223 -0.107 -6.232 1.00 0.00 H new ATOM 0 HG CYS A 71 3.174 -2.439 -6.962 1.00 0.00 H new ATOM 1107 N GLY A 72 -0.045 0.310 -7.132 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.398 -0.206 -7.046 1.00 0.00 C ATOM 1109 C GLY A 72 -2.051 0.072 -5.706 1.00 0.00 C ATOM 1110 O GLY A 72 -1.938 1.173 -5.167 1.00 0.00 O ATOM 0 H GLY A 72 0.275 0.819 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.002 0.238 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.383 -1.282 -7.221 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.742 -0.930 -5.171 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.425 -0.793 -3.890 1.00 0.00 C ATOM 1116 C ASP A 73 -3.669 -2.161 -3.253 1.00 0.00 C ATOM 1117 O ASP A 73 -3.071 -3.159 -3.655 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.751 -0.050 -4.081 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.737 -0.830 -4.931 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.208 -1.891 -4.470 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -6.037 -0.380 -6.056 1.00 0.00 O ATOM 0 H ASP A 73 -2.844 -1.847 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.788 -0.217 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.195 0.150 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.559 0.916 -4.548 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.549 -2.198 -2.255 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.871 -3.440 -1.557 1.00 0.00 C ATOM 1128 C TYR A 74 -5.294 -4.535 -2.534 1.00 0.00 C ATOM 1129 O TYR A 74 -4.739 -5.633 -2.528 1.00 0.00 O ATOM 1130 CB TYR A 74 -5.986 -3.196 -0.537 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.367 -4.429 0.252 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -5.604 -4.849 1.334 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.492 -5.172 -0.085 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -5.949 -5.974 2.057 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -7.844 -6.298 0.634 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.070 -6.695 1.703 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.417 -7.817 2.421 1.00 0.00 O ATOM 0 H TYR A 74 -5.053 -1.380 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.972 -3.775 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.669 -2.416 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.867 -2.822 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.726 -4.286 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.101 -4.864 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.344 -6.287 2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.722 -6.864 0.360 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.232 -8.208 2.043 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.284 -4.231 -3.368 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.791 -5.182 -4.345 1.00 0.00 C ATOM 1149 C GLU A 75 -5.664 -5.788 -5.179 1.00 0.00 C ATOM 1150 O GLU A 75 -5.447 -7.000 -5.160 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.799 -4.484 -5.253 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.025 -5.323 -5.556 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.113 -5.729 -7.014 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.073 -6.117 -7.587 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.223 -5.659 -7.584 1.00 0.00 O ATOM 0 H GLU A 75 -6.753 -3.325 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.277 -5.997 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.114 -3.552 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.309 -4.220 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.010 -6.218 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.920 -4.762 -5.285 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.952 -4.938 -5.913 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.849 -5.389 -6.758 1.00 0.00 C ATOM 1164 C LEU A 76 -2.868 -6.252 -5.970 1.00 0.00 C ATOM 1165 O LEU A 76 -2.652 -7.420 -6.295 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.115 -4.189 -7.358 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.948 -3.329 -8.310 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.630 -2.198 -7.552 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.076 -2.778 -9.428 1.00 0.00 C ATOM 0 H LEU A 76 -5.119 -3.932 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.270 -5.993 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.755 -3.559 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.237 -4.550 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.721 -3.955 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.218 -1.597 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.286 -2.616 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.875 -1.570 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.684 -2.168 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.281 -2.166 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.638 -3.604 -9.988 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.277 -5.667 -4.933 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.317 -6.377 -4.093 1.00 0.00 C ATOM 1183 C PHE A 77 -1.855 -7.751 -3.691 1.00 0.00 C ATOM 1184 O PHE A 77 -1.194 -8.771 -3.892 1.00 0.00 O ATOM 1185 CB PHE A 77 -0.996 -5.544 -2.848 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.234 -6.294 -1.790 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.899 -7.087 -0.870 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.148 -6.205 -1.717 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.202 -7.779 0.103 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.850 -6.894 -0.747 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.174 -7.682 0.165 1.00 0.00 C ATOM 0 H PHE A 77 -2.446 -4.701 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.402 -6.528 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.417 -4.670 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.928 -5.177 -2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.975 -7.166 -0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.682 -5.590 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.733 -8.395 0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.926 -6.817 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.721 -8.221 0.925 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.060 -7.768 -3.128 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.686 -9.015 -2.705 1.00 0.00 C ATOM 1203 C VAL A 78 -3.955 -9.921 -3.902 1.00 0.00 C ATOM 1204 O VAL A 78 -3.909 -11.146 -3.788 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.010 -8.757 -1.959 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.594 -10.061 -1.435 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.798 -7.767 -0.824 1.00 0.00 C ATOM 0 H VAL A 78 -3.621 -6.934 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.990 -9.507 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.722 -8.324 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.528 -9.857 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.785 -10.735 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.887 -10.526 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.743 -7.597 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.069 -8.170 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.430 -6.824 -1.228 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.233 -9.311 -5.050 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.506 -10.065 -6.268 1.00 0.00 C ATOM 1219 C GLU A 79 -3.214 -10.591 -6.896 1.00 0.00 C ATOM 1220 O GLU A 79 -3.249 -11.316 -7.890 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.254 -9.194 -7.278 1.00 0.00 C ATOM 1222 CG GLU A 79 -5.747 -9.965 -8.493 1.00 0.00 C ATOM 1223 CD GLU A 79 -5.347 -9.311 -9.801 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -5.433 -8.068 -9.894 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -4.949 -10.041 -10.733 1.00 0.00 O ATOM 0 H GLU A 79 -4.275 -8.298 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.129 -10.918 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.106 -8.727 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.597 -8.390 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.348 -10.979 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.833 -10.048 -8.450 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.075 -10.221 -6.318 1.00 0.00 N ATOM 1233 CA ALA A 80 -0.784 -10.658 -6.832 1.00 0.00 C ATOM 1234 C ALA A 80 -0.286 -11.899 -6.096 1.00 0.00 C ATOM 1235 O ALA A 80 0.049 -12.906 -6.719 1.00 0.00 O ATOM 1236 CB ALA A 80 0.230 -9.531 -6.723 1.00 0.00 C ATOM 0 H ALA A 80 -2.021 -9.621 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.908 -10.923 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.192 -9.868 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.114 -8.674 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.341 -9.241 -5.678 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.239 -11.822 -4.769 1.00 0.00 N ATOM 1243 CA VAL A 81 0.222 -12.944 -3.952 1.00 0.00 C ATOM 1244 C VAL A 81 -0.542 -14.223 -4.289 1.00 0.00 C ATOM 1245 O VAL A 81 -0.010 -15.327 -4.177 1.00 0.00 O ATOM 1246 CB VAL A 81 0.055 -12.652 -2.446 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.683 -13.759 -1.614 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.656 -11.301 -2.085 1.00 0.00 C ATOM 0 H VAL A 81 -0.514 -10.997 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 81 1.280 -13.080 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.011 -12.617 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.555 -13.535 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.199 -14.708 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.746 -13.829 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.526 -11.118 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.719 -11.299 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.154 -10.517 -2.652 1.00 0.00 H new ATOM 1258 N GLU A 82 -1.795 -14.057 -4.691 1.00 0.00 N ATOM 1259 CA GLU A 82 -2.657 -15.185 -5.038 1.00 0.00 C ATOM 1260 C GLU A 82 -2.066 -16.034 -6.162 1.00 0.00 C ATOM 1261 O GLU A 82 -2.029 -17.261 -6.069 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.037 -14.676 -5.455 1.00 0.00 C ATOM 1263 CG GLU A 82 -3.986 -13.419 -6.309 1.00 0.00 C ATOM 1264 CD GLU A 82 -4.794 -13.547 -7.586 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -4.321 -14.224 -8.523 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.901 -12.972 -7.649 1.00 0.00 O ATOM 0 H GLU A 82 -2.242 -13.145 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.742 -15.815 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.553 -15.461 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.627 -14.475 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.361 -12.575 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.949 -13.197 -6.561 1.00 0.00 H new ATOM 1273 N GLN A 83 -1.612 -15.378 -7.225 1.00 0.00 N ATOM 1274 CA GLN A 83 -1.034 -16.081 -8.365 1.00 0.00 C ATOM 1275 C GLN A 83 0.488 -16.044 -8.314 1.00 0.00 C ATOM 1276 O GLN A 83 1.162 -16.428 -9.270 1.00 0.00 O ATOM 1277 CB GLN A 83 -1.527 -15.458 -9.673 1.00 0.00 C ATOM 1278 CG GLN A 83 -1.908 -16.481 -10.729 1.00 0.00 C ATOM 1279 CD GLN A 83 -1.948 -15.891 -12.125 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -2.069 -14.677 -12.295 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -1.847 -16.749 -13.134 1.00 0.00 N ATOM 0 H GLN A 83 -1.633 -14.363 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.354 -17.122 -8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.391 -14.827 -9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.748 -14.809 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.194 -17.304 -10.707 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.885 -16.900 -10.488 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.748 -17.747 -12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.868 -16.410 -14.096 1.00 0.00 H new ATOM 1290 N ASN A 84 1.023 -15.566 -7.196 1.00 0.00 N ATOM 1291 CA ASN A 84 2.460 -15.457 -7.011 1.00 0.00 C ATOM 1292 C ASN A 84 3.006 -14.284 -7.811 1.00 0.00 C ATOM 1293 O ASN A 84 4.202 -14.211 -8.094 1.00 0.00 O ATOM 1294 CB ASN A 84 3.169 -16.753 -7.416 1.00 0.00 C ATOM 1295 CG ASN A 84 2.462 -17.989 -6.894 1.00 0.00 C ATOM 1296 OD1 ASN A 84 1.688 -17.918 -5.939 1.00 0.00 O ATOM 1297 ND2 ASN A 84 2.726 -19.130 -7.519 1.00 0.00 N ATOM 0 H ASN A 84 0.474 -15.246 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 84 2.653 -15.284 -5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.230 -16.805 -8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.192 -16.737 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.280 -19.995 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.374 -19.142 -8.306 1.00 0.00 H new ATOM 1304 N THR A 85 2.117 -13.362 -8.166 1.00 0.00 N ATOM 1305 CA THR A 85 2.501 -12.185 -8.923 1.00 0.00 C ATOM 1306 C THR A 85 3.068 -11.113 -7.998 1.00 0.00 C ATOM 1307 O THR A 85 3.772 -10.207 -8.444 1.00 0.00 O ATOM 1308 CB THR A 85 1.303 -11.631 -9.696 1.00 0.00 C ATOM 1309 OG1 THR A 85 0.325 -12.636 -9.893 1.00 0.00 O ATOM 1310 CG2 THR A 85 1.671 -11.076 -11.055 1.00 0.00 C ATOM 0 H THR A 85 1.124 -13.411 -7.939 1.00 0.00 H new ATOM 0 HA THR A 85 3.274 -12.475 -9.635 1.00 0.00 H new ATOM 0 HB THR A 85 0.916 -10.818 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.434 -12.262 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.775 -10.700 -11.549 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.387 -10.263 -10.934 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.116 -11.865 -11.662 1.00 0.00 H new ATOM 1318 N LEU A 86 2.748 -11.227 -6.705 1.00 0.00 N ATOM 1319 CA LEU A 86 3.213 -10.277 -5.693 1.00 0.00 C ATOM 1320 C LEU A 86 4.597 -9.720 -6.022 1.00 0.00 C ATOM 1321 O LEU A 86 4.835 -8.519 -5.893 1.00 0.00 O ATOM 1322 CB LEU A 86 3.242 -10.949 -4.321 1.00 0.00 C ATOM 1323 CG LEU A 86 3.713 -10.052 -3.178 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.673 -8.983 -2.875 1.00 0.00 C ATOM 1325 CD2 LEU A 86 4.011 -10.882 -1.937 1.00 0.00 C ATOM 0 H LEU A 86 2.163 -11.976 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 86 2.513 -9.442 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.241 -11.313 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.895 -11.821 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 86 4.633 -9.555 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.026 -8.353 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.512 -8.370 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.735 -9.459 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.345 -10.227 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.108 -11.408 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.793 -11.607 -2.163 1.00 0.00 H new ATOM 1337 N GLN A 87 5.506 -10.592 -6.449 1.00 0.00 N ATOM 1338 CA GLN A 87 6.859 -10.167 -6.795 1.00 0.00 C ATOM 1339 C GLN A 87 6.820 -9.065 -7.847 1.00 0.00 C ATOM 1340 O GLN A 87 7.349 -7.975 -7.637 1.00 0.00 O ATOM 1341 CB GLN A 87 7.686 -11.347 -7.310 1.00 0.00 C ATOM 1342 CG GLN A 87 9.007 -10.930 -7.940 1.00 0.00 C ATOM 1343 CD GLN A 87 9.932 -12.105 -8.190 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.720 -12.892 -9.113 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.967 -12.228 -7.367 1.00 0.00 N ATOM 0 H GLN A 87 5.332 -11.591 -6.563 1.00 0.00 H new ATOM 0 HA GLN A 87 7.330 -9.779 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.885 -12.029 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.100 -11.899 -8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.810 -10.420 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.505 -10.213 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.104 -11.552 -6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.625 -12.998 -7.487 1.00 0.00 H new ATOM 1354 N GLU A 88 6.181 -9.356 -8.978 1.00 0.00 N ATOM 1355 CA GLU A 88 6.063 -8.388 -10.066 1.00 0.00 C ATOM 1356 C GLU A 88 5.632 -7.022 -9.539 1.00 0.00 C ATOM 1357 O GLU A 88 5.902 -5.994 -10.158 1.00 0.00 O ATOM 1358 CB GLU A 88 5.059 -8.884 -11.109 1.00 0.00 C ATOM 1359 CG GLU A 88 5.402 -8.467 -12.530 1.00 0.00 C ATOM 1360 CD GLU A 88 4.561 -7.303 -13.015 1.00 0.00 C ATOM 1361 OE1 GLU A 88 4.783 -6.171 -12.538 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.680 -7.524 -13.873 1.00 0.00 O ATOM 0 H GLU A 88 5.737 -10.255 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 88 7.043 -8.283 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.006 -9.972 -11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.069 -8.505 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.456 -8.195 -12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.260 -9.316 -13.198 1.00 0.00 H new ATOM 1369 N PHE A 89 4.957 -7.022 -8.394 1.00 0.00 N ATOM 1370 CA PHE A 89 4.486 -5.790 -7.777 1.00 0.00 C ATOM 1371 C PHE A 89 5.410 -5.350 -6.642 1.00 0.00 C ATOM 1372 O PHE A 89 5.455 -4.171 -6.291 1.00 0.00 O ATOM 1373 CB PHE A 89 3.066 -5.989 -7.245 1.00 0.00 C ATOM 1374 CG PHE A 89 2.405 -4.720 -6.792 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.797 -4.099 -5.617 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.387 -4.151 -7.539 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.185 -2.934 -5.196 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.773 -2.987 -7.124 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.172 -2.377 -5.951 1.00 0.00 C ATOM 0 H PHE A 89 4.724 -7.867 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 89 4.486 -5.007 -8.535 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.457 -6.447 -8.025 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.096 -6.690 -6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.590 -4.530 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.070 -4.624 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.499 -2.460 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.019 -2.553 -7.716 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.693 -1.466 -5.625 1.00 0.00 H new ATOM 1389 N LEU A 90 6.131 -6.305 -6.059 1.00 0.00 N ATOM 1390 CA LEU A 90 7.035 -6.011 -4.950 1.00 0.00 C ATOM 1391 C LEU A 90 8.490 -5.906 -5.408 1.00 0.00 C ATOM 1392 O LEU A 90 9.094 -4.837 -5.335 1.00 0.00 O ATOM 1393 CB LEU A 90 6.910 -7.088 -3.870 1.00 0.00 C ATOM 1394 CG LEU A 90 5.845 -6.818 -2.807 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.851 -7.915 -1.753 1.00 0.00 C ATOM 1396 CD2 LEU A 90 6.069 -5.457 -2.164 1.00 0.00 C ATOM 0 H LEU A 90 6.107 -7.287 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 90 6.745 -5.043 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.687 -8.040 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.875 -7.199 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 90 4.868 -6.814 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.086 -7.705 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.643 -8.875 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.828 -7.952 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.302 -5.280 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.052 -5.434 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.013 -4.681 -2.927 1.00 0.00 H new ATOM 1408 N LYS A 91 9.054 -7.025 -5.857 1.00 0.00 N ATOM 1409 CA LYS A 91 10.448 -7.055 -6.302 1.00 0.00 C ATOM 1410 C LYS A 91 10.567 -6.922 -7.820 1.00 0.00 C ATOM 1411 O LYS A 91 11.673 -6.898 -8.360 1.00 0.00 O ATOM 1412 CB LYS A 91 11.125 -8.350 -5.844 1.00 0.00 C ATOM 1413 CG LYS A 91 10.601 -8.881 -4.518 1.00 0.00 C ATOM 1414 CD LYS A 91 11.629 -9.760 -3.824 1.00 0.00 C ATOM 1415 CE LYS A 91 12.473 -8.963 -2.844 1.00 0.00 C ATOM 1416 NZ LYS A 91 13.353 -9.841 -2.025 1.00 0.00 N ATOM 0 H LYS A 91 8.570 -7.921 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 91 10.949 -6.199 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.986 -9.112 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.198 -8.177 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.338 -8.046 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.688 -9.452 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.122 -10.567 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.275 -10.223 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.085 -8.246 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.820 -8.389 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.912 -9.258 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.769 -10.509 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.994 -10.370 -2.650 1.00 0.00 H new ATOM 1430 N LEU A 92 9.430 -6.835 -8.507 1.00 0.00 N ATOM 1431 CA LEU A 92 9.421 -6.704 -9.963 1.00 0.00 C ATOM 1432 C LEU A 92 10.353 -7.720 -10.619 1.00 0.00 C ATOM 1433 O LEU A 92 10.884 -7.480 -11.703 1.00 0.00 O ATOM 1434 CB LEU A 92 9.830 -5.286 -10.376 1.00 0.00 C ATOM 1435 CG LEU A 92 9.279 -4.157 -9.498 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.802 -4.371 -9.204 1.00 0.00 C ATOM 1437 CD2 LEU A 92 10.071 -4.054 -8.205 1.00 0.00 C ATOM 0 H LEU A 92 8.504 -6.853 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 92 8.405 -6.900 -10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.918 -5.226 -10.374 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.503 -5.117 -11.402 1.00 0.00 H new ATOM 0 HG LEU A 92 9.384 -3.219 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.434 -3.557 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.244 -4.391 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.669 -5.318 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.666 -3.247 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.999 -4.994 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.116 -3.846 -8.434 1.00 0.00 H new ATOM 1449 N ALA A 93 10.550 -8.854 -9.954 1.00 0.00 N ATOM 1450 CA ALA A 93 11.419 -9.903 -10.474 1.00 0.00 C ATOM 1451 C ALA A 93 10.610 -10.984 -11.185 1.00 0.00 C ATOM 1452 O ALA A 93 10.966 -12.162 -11.152 1.00 0.00 O ATOM 1453 CB ALA A 93 12.246 -10.507 -9.348 1.00 0.00 C ATOM 0 H ALA A 93 10.120 -9.070 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 93 12.094 -9.456 -11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.891 -11.289 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.859 -9.731 -8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.581 -10.934 -8.597 1.00 0.00 H new ATOM 1459 N LEU A 94 9.521 -10.575 -11.827 1.00 0.00 N ATOM 1460 CA LEU A 94 8.662 -11.508 -12.547 1.00 0.00 C ATOM 1461 C LEU A 94 8.534 -11.108 -14.013 1.00 0.00 C ATOM 1462 O LEU A 94 7.495 -11.324 -14.638 1.00 0.00 O ATOM 1463 CB LEU A 94 7.278 -11.566 -11.896 1.00 0.00 C ATOM 1464 CG LEU A 94 6.681 -12.968 -11.771 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.500 -12.963 -10.812 1.00 0.00 C ATOM 1466 CD2 LEU A 94 6.258 -13.489 -13.137 1.00 0.00 C ATOM 0 H LEU A 94 9.212 -9.604 -11.863 1.00 0.00 H new ATOM 0 HA LEU A 94 9.119 -12.497 -12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.342 -11.125 -10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.594 -10.947 -12.476 1.00 0.00 H new ATOM 0 HG LEU A 94 7.445 -13.633 -11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.089 -13.970 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.832 -12.632 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.732 -12.284 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.835 -14.488 -13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.510 -12.822 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.126 -13.531 -13.795 1.00 0.00 H new ATOM 1478 N GLU A 95 9.597 -10.525 -14.557 1.00 0.00 N ATOM 1479 CA GLU A 95 9.604 -10.095 -15.950 1.00 0.00 C ATOM 1480 C GLU A 95 9.770 -11.288 -16.886 1.00 0.00 C ATOM 1481 O GLU A 95 9.113 -11.302 -17.948 1.00 0.00 O ATOM 1482 CB GLU A 95 10.728 -9.085 -16.189 1.00 0.00 C ATOM 1483 CG GLU A 95 12.102 -9.599 -15.789 1.00 0.00 C ATOM 1484 CD GLU A 95 13.228 -8.785 -16.396 1.00 0.00 C ATOM 1485 OE1 GLU A 95 13.323 -8.738 -17.641 1.00 0.00 O ATOM 1486 OE2 GLU A 95 14.015 -8.194 -15.627 1.00 0.00 O ATOM 0 H GLU A 95 10.465 -10.340 -14.054 1.00 0.00 H new ATOM 0 HA GLU A 95 8.647 -9.619 -16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.744 -8.814 -17.245 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.513 -8.175 -15.629 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.190 -9.581 -14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.202 -10.639 -16.100 1.00 0.00 H new TER 1493 GLU A 95