USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 446 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 18 LYS NZ :NH3+ -130:sc= -0.636 (180deg=-2.86!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.277 K(o=-0.28,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.332 (180deg=-1.27!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.94) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 44 SER OG : rot 121:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ -105:sc= -0.771 (180deg=-2.38!) USER MOD Single : A 47 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.023) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 71:sc= 0.67 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.240 23.485 6.579 1.00 0.00 N ATOM 2 CA MET A 1 -0.429 23.652 8.044 1.00 0.00 C ATOM 3 C MET A 1 0.344 22.592 8.825 1.00 0.00 C ATOM 4 O MET A 1 1.120 22.919 9.725 1.00 0.00 O ATOM 5 CB MET A 1 -1.925 23.562 8.362 1.00 0.00 C ATOM 6 CG MET A 1 -2.624 22.401 7.669 1.00 0.00 C ATOM 7 SD MET A 1 -4.414 22.595 7.623 1.00 0.00 S ATOM 8 CE MET A 1 -4.909 21.050 6.870 1.00 0.00 C ATOM 0 H1 MET A 1 -1.008 23.969 6.072 1.00 0.00 H new ATOM 0 H2 MET A 1 0.673 23.896 6.298 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.252 22.473 6.341 1.00 0.00 H new ATOM 0 HA MET A 1 -0.043 24.626 8.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.054 23.462 9.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.408 24.494 8.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.246 22.310 6.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.376 21.473 8.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.995 21.023 6.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.456 20.965 5.882 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.578 20.219 7.493 1.00 0.00 H new ATOM 20 N GLU A 2 0.130 21.327 8.481 1.00 0.00 N ATOM 21 CA GLU A 2 0.807 20.231 9.160 1.00 0.00 C ATOM 22 C GLU A 2 1.389 19.244 8.146 1.00 0.00 C ATOM 23 O GLU A 2 2.559 18.863 8.238 1.00 0.00 O ATOM 24 CB GLU A 2 -0.161 19.493 10.086 1.00 0.00 C ATOM 25 CG GLU A 2 0.515 18.874 11.302 1.00 0.00 C ATOM 26 CD GLU A 2 0.768 19.869 12.406 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.209 20.284 13.062 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.944 20.246 12.619 1.00 0.00 O ATOM 0 H GLU A 2 -0.505 21.037 7.738 1.00 0.00 H new ATOM 0 HA GLU A 2 1.618 20.655 9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.931 20.188 10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.665 18.708 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.108 18.066 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.462 18.429 10.997 1.00 0.00 H new ATOM 35 N ALA A 3 0.576 18.848 7.174 1.00 0.00 N ATOM 36 CA ALA A 3 1.007 17.910 6.147 1.00 0.00 C ATOM 37 C ALA A 3 1.392 16.565 6.752 1.00 0.00 C ATOM 38 O ALA A 3 2.308 16.486 7.573 1.00 0.00 O ATOM 39 CB ALA A 3 2.178 18.498 5.364 1.00 0.00 C ATOM 0 H ALA A 3 -0.389 19.164 7.076 1.00 0.00 H new ATOM 0 HA ALA A 3 0.172 17.740 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.495 17.791 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.868 19.430 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.008 18.693 6.043 1.00 0.00 H new ATOM 45 N VAL A 4 0.690 15.512 6.341 1.00 0.00 N ATOM 46 CA VAL A 4 0.960 14.176 6.842 1.00 0.00 C ATOM 47 C VAL A 4 0.563 13.121 5.811 1.00 0.00 C ATOM 48 O VAL A 4 0.165 12.018 6.161 1.00 0.00 O ATOM 49 CB VAL A 4 0.205 13.893 8.147 1.00 0.00 C ATOM 50 CG1 VAL A 4 0.719 12.625 8.806 1.00 0.00 C ATOM 51 CG2 VAL A 4 0.326 15.079 9.098 1.00 0.00 C ATOM 0 H VAL A 4 -0.069 15.563 5.662 1.00 0.00 H new ATOM 0 HA VAL A 4 2.032 14.125 7.035 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.848 13.746 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.168 12.446 9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.579 11.781 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.779 12.737 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.215 14.863 10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.377 15.256 9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.097 15.967 8.628 1.00 0.00 H new ATOM 61 N ASP A 5 0.675 13.482 4.537 1.00 0.00 N ATOM 62 CA ASP A 5 0.329 12.582 3.452 1.00 0.00 C ATOM 63 C ASP A 5 1.307 11.410 3.376 1.00 0.00 C ATOM 64 O ASP A 5 0.904 10.253 3.276 1.00 0.00 O ATOM 65 CB ASP A 5 0.303 13.328 2.119 1.00 0.00 C ATOM 66 CG ASP A 5 1.607 14.047 1.837 1.00 0.00 C ATOM 67 OD1 ASP A 5 1.754 15.209 2.278 1.00 0.00 O ATOM 68 OD2 ASP A 5 2.481 13.449 1.173 1.00 0.00 O ATOM 0 H ASP A 5 1.005 14.398 4.233 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.667 12.187 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.098 12.622 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.514 14.050 2.125 1.00 0.00 H new ATOM 73 N ALA A 6 2.599 11.728 3.420 1.00 0.00 N ATOM 74 CA ALA A 6 3.636 10.705 3.354 1.00 0.00 C ATOM 75 C ALA A 6 3.533 9.738 4.527 1.00 0.00 C ATOM 76 O ALA A 6 3.784 8.544 4.379 1.00 0.00 O ATOM 77 CB ALA A 6 5.013 11.355 3.320 1.00 0.00 C ATOM 0 H ALA A 6 2.950 12.682 3.501 1.00 0.00 H new ATOM 0 HA ALA A 6 3.491 10.134 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.779 10.581 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.090 11.998 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.156 11.951 4.221 1.00 0.00 H new ATOM 83 N ASN A 7 3.158 10.254 5.693 1.00 0.00 N ATOM 84 CA ASN A 7 3.023 9.430 6.887 1.00 0.00 C ATOM 85 C ASN A 7 1.898 8.420 6.716 1.00 0.00 C ATOM 86 O ASN A 7 2.070 7.235 6.991 1.00 0.00 O ATOM 87 CB ASN A 7 2.758 10.306 8.113 1.00 0.00 C ATOM 88 CG ASN A 7 3.390 9.744 9.372 1.00 0.00 C ATOM 89 OD1 ASN A 7 4.485 10.160 9.767 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.707 8.801 10.008 1.00 0.00 N ATOM 0 H ASN A 7 2.942 11.241 5.836 1.00 0.00 H new ATOM 0 HA ASN A 7 3.958 8.889 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.146 11.308 7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.683 10.403 8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.082 8.387 10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.807 8.490 9.643 1.00 0.00 H new ATOM 97 N SER A 8 0.746 8.892 6.247 1.00 0.00 N ATOM 98 CA SER A 8 -0.401 8.033 6.028 1.00 0.00 C ATOM 99 C SER A 8 -0.131 7.073 4.876 1.00 0.00 C ATOM 100 O SER A 8 -0.620 5.943 4.867 1.00 0.00 O ATOM 101 CB SER A 8 -1.647 8.870 5.731 1.00 0.00 C ATOM 102 OG SER A 8 -2.816 8.069 5.753 1.00 0.00 O ATOM 0 H SER A 8 0.588 9.872 6.012 1.00 0.00 H new ATOM 0 HA SER A 8 -0.576 7.455 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.736 9.669 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.546 9.345 4.755 1.00 0.00 H new ATOM 0 HG SER A 8 -3.599 8.627 5.562 1.00 0.00 H new ATOM 108 N LEU A 9 0.657 7.533 3.910 1.00 0.00 N ATOM 109 CA LEU A 9 1.003 6.721 2.751 1.00 0.00 C ATOM 110 C LEU A 9 1.864 5.530 3.167 1.00 0.00 C ATOM 111 O LEU A 9 1.646 4.404 2.722 1.00 0.00 O ATOM 112 CB LEU A 9 1.766 7.568 1.727 1.00 0.00 C ATOM 113 CG LEU A 9 1.989 6.915 0.359 1.00 0.00 C ATOM 114 CD1 LEU A 9 2.558 7.923 -0.618 1.00 0.00 C ATOM 115 CD2 LEU A 9 2.910 5.709 0.473 1.00 0.00 C ATOM 0 H LEU A 9 1.069 8.466 3.908 1.00 0.00 H new ATOM 0 HA LEU A 9 0.080 6.351 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.224 8.502 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.737 7.827 2.148 1.00 0.00 H new ATOM 0 HG LEU A 9 1.025 6.570 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.711 7.445 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.862 8.754 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.511 8.296 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.051 5.265 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.875 6.024 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.465 4.973 1.142 1.00 0.00 H new ATOM 127 N ALA A 10 2.854 5.800 4.012 1.00 0.00 N ATOM 128 CA ALA A 10 3.771 4.769 4.481 1.00 0.00 C ATOM 129 C ALA A 10 3.061 3.704 5.310 1.00 0.00 C ATOM 130 O ALA A 10 3.577 2.602 5.476 1.00 0.00 O ATOM 131 CB ALA A 10 4.896 5.399 5.288 1.00 0.00 C ATOM 0 H ALA A 10 3.042 6.730 4.387 1.00 0.00 H new ATOM 0 HA ALA A 10 4.186 4.275 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.576 4.620 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.442 6.105 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.478 5.924 6.147 1.00 0.00 H new ATOM 137 N GLN A 11 1.883 4.031 5.830 1.00 0.00 N ATOM 138 CA GLN A 11 1.121 3.094 6.640 1.00 0.00 C ATOM 139 C GLN A 11 0.361 2.112 5.762 1.00 0.00 C ATOM 140 O GLN A 11 0.356 0.913 6.027 1.00 0.00 O ATOM 141 CB GLN A 11 0.159 3.847 7.555 1.00 0.00 C ATOM 142 CG GLN A 11 -0.829 2.935 8.247 1.00 0.00 C ATOM 143 CD GLN A 11 -1.857 3.689 9.056 1.00 0.00 C ATOM 144 OE1 GLN A 11 -2.013 3.451 10.252 1.00 0.00 O ATOM 145 NE2 GLN A 11 -2.565 4.608 8.410 1.00 0.00 N ATOM 0 H GLN A 11 1.437 4.939 5.704 1.00 0.00 H new ATOM 0 HA GLN A 11 1.819 2.527 7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.731 4.392 8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.386 4.588 6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.338 2.325 7.500 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.288 2.252 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.402 4.772 7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.272 5.150 8.907 1.00 0.00 H new ATOM 154 N ALA A 12 -0.270 2.616 4.709 1.00 0.00 N ATOM 155 CA ALA A 12 -1.011 1.756 3.797 1.00 0.00 C ATOM 156 C ALA A 12 -0.146 0.577 3.385 1.00 0.00 C ATOM 157 O ALA A 12 -0.622 -0.546 3.249 1.00 0.00 O ATOM 158 CB ALA A 12 -1.443 2.540 2.577 1.00 0.00 C ATOM 0 H ALA A 12 -0.284 3.607 4.467 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.901 1.383 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.996 1.887 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.081 3.369 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.563 2.930 2.065 1.00 0.00 H new ATOM 164 N LYS A 13 1.140 0.858 3.212 1.00 0.00 N ATOM 165 CA LYS A 13 2.113 -0.162 2.839 1.00 0.00 C ATOM 166 C LYS A 13 2.657 -0.838 4.088 1.00 0.00 C ATOM 167 O LYS A 13 2.527 -2.048 4.247 1.00 0.00 O ATOM 168 CB LYS A 13 3.260 0.445 2.028 1.00 0.00 C ATOM 169 CG LYS A 13 3.487 1.919 2.293 1.00 0.00 C ATOM 170 CD LYS A 13 4.885 2.356 1.877 1.00 0.00 C ATOM 171 CE LYS A 13 5.961 1.596 2.636 1.00 0.00 C ATOM 172 NZ LYS A 13 6.882 2.514 3.361 1.00 0.00 N ATOM 0 H LYS A 13 1.536 1.791 3.325 1.00 0.00 H new ATOM 0 HA LYS A 13 1.612 -0.904 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.177 -0.100 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.056 0.304 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.746 2.505 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.342 2.125 3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.013 2.196 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.000 3.425 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.492 0.916 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.533 0.984 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.601 1.957 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.349 3.146 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.340 3.081 4.044 1.00 0.00 H new ATOM 186 N GLU A 14 3.247 -0.045 4.989 1.00 0.00 N ATOM 187 CA GLU A 14 3.784 -0.578 6.238 1.00 0.00 C ATOM 188 C GLU A 14 2.780 -1.540 6.853 1.00 0.00 C ATOM 189 O GLU A 14 3.142 -2.562 7.438 1.00 0.00 O ATOM 190 CB GLU A 14 4.089 0.555 7.222 1.00 0.00 C ATOM 191 CG GLU A 14 5.494 1.119 7.086 1.00 0.00 C ATOM 192 CD GLU A 14 6.032 1.663 8.395 1.00 0.00 C ATOM 193 OE1 GLU A 14 5.515 1.266 9.461 1.00 0.00 O ATOM 194 OE2 GLU A 14 6.969 2.488 8.354 1.00 0.00 O ATOM 0 H GLU A 14 3.363 0.962 4.875 1.00 0.00 H new ATOM 0 HA GLU A 14 4.713 -1.107 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.368 1.359 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.951 0.188 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.161 0.339 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.492 1.913 6.340 1.00 0.00 H new ATOM 201 N ALA A 15 1.509 -1.203 6.690 1.00 0.00 N ATOM 202 CA ALA A 15 0.428 -2.033 7.203 1.00 0.00 C ATOM 203 C ALA A 15 0.085 -3.150 6.216 1.00 0.00 C ATOM 204 O ALA A 15 -0.120 -4.301 6.609 1.00 0.00 O ATOM 205 CB ALA A 15 -0.801 -1.183 7.490 1.00 0.00 C ATOM 0 H ALA A 15 1.200 -0.360 6.206 1.00 0.00 H new ATOM 0 HA ALA A 15 0.761 -2.491 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.601 -1.817 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.553 -0.424 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.131 -0.698 6.571 1.00 0.00 H new ATOM 211 N ALA A 16 0.028 -2.803 4.932 1.00 0.00 N ATOM 212 CA ALA A 16 -0.287 -3.776 3.889 1.00 0.00 C ATOM 213 C ALA A 16 0.785 -4.855 3.791 1.00 0.00 C ATOM 214 O ALA A 16 0.509 -5.975 3.359 1.00 0.00 O ATOM 215 CB ALA A 16 -0.458 -3.082 2.545 1.00 0.00 C ATOM 0 H ALA A 16 0.196 -1.857 4.589 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.226 -4.258 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.692 -3.823 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.270 -2.358 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.466 -2.568 2.281 1.00 0.00 H new ATOM 221 N ILE A 17 2.006 -4.518 4.193 1.00 0.00 N ATOM 222 CA ILE A 17 3.105 -5.471 4.146 1.00 0.00 C ATOM 223 C ILE A 17 3.030 -6.430 5.325 1.00 0.00 C ATOM 224 O ILE A 17 3.398 -7.600 5.211 1.00 0.00 O ATOM 225 CB ILE A 17 4.477 -4.769 4.133 1.00 0.00 C ATOM 226 CG1 ILE A 17 4.680 -3.949 5.407 1.00 0.00 C ATOM 227 CG2 ILE A 17 4.605 -3.882 2.901 1.00 0.00 C ATOM 228 CD1 ILE A 17 5.996 -3.202 5.441 1.00 0.00 C ATOM 0 H ILE A 17 2.257 -3.597 4.553 1.00 0.00 H new ATOM 0 HA ILE A 17 3.005 -6.030 3.216 1.00 0.00 H new ATOM 0 HB ILE A 17 5.253 -5.533 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.863 -3.234 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.626 -4.613 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.579 -3.392 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.509 -4.491 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.819 -3.127 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.072 -2.642 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.820 -3.913 5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.045 -2.512 4.598 1.00 0.00 H new ATOM 240 N LYS A 18 2.530 -5.934 6.454 1.00 0.00 N ATOM 241 CA LYS A 18 2.383 -6.759 7.646 1.00 0.00 C ATOM 242 C LYS A 18 1.549 -7.992 7.324 1.00 0.00 C ATOM 243 O LYS A 18 1.775 -9.071 7.871 1.00 0.00 O ATOM 244 CB LYS A 18 1.733 -5.953 8.773 1.00 0.00 C ATOM 245 CG LYS A 18 2.568 -5.897 10.041 1.00 0.00 C ATOM 246 CD LYS A 18 2.152 -6.973 11.031 1.00 0.00 C ATOM 247 CE LYS A 18 2.830 -6.786 12.379 1.00 0.00 C ATOM 248 NZ LYS A 18 3.319 -8.077 12.939 1.00 0.00 N ATOM 0 H LYS A 18 2.221 -4.968 6.567 1.00 0.00 H new ATOM 0 HA LYS A 18 3.370 -7.080 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.550 -4.937 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.762 -6.389 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.621 -6.020 9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.463 -4.916 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.070 -6.950 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.404 -7.955 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.667 -6.097 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.129 -6.330 13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.993 -8.175 13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.947 -8.865 12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.359 -8.094 12.916 1.00 0.00 H new ATOM 262 N GLU A 19 0.593 -7.824 6.417 1.00 0.00 N ATOM 263 CA GLU A 19 -0.260 -8.928 6.002 1.00 0.00 C ATOM 264 C GLU A 19 0.501 -9.846 5.059 1.00 0.00 C ATOM 265 O GLU A 19 0.339 -11.066 5.096 1.00 0.00 O ATOM 266 CB GLU A 19 -1.527 -8.403 5.319 1.00 0.00 C ATOM 267 CG GLU A 19 -2.810 -8.812 6.022 1.00 0.00 C ATOM 268 CD GLU A 19 -3.237 -7.815 7.082 1.00 0.00 C ATOM 269 OE1 GLU A 19 -3.044 -6.600 6.866 1.00 0.00 O ATOM 270 OE2 GLU A 19 -3.763 -8.250 8.128 1.00 0.00 O ATOM 0 H GLU A 19 0.391 -6.936 5.957 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.554 -9.492 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.480 -7.315 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.553 -8.767 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.606 -8.917 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.672 -9.790 6.483 1.00 0.00 H new ATOM 277 N LEU A 20 1.342 -9.251 4.221 1.00 0.00 N ATOM 278 CA LEU A 20 2.139 -10.017 3.278 1.00 0.00 C ATOM 279 C LEU A 20 3.082 -10.951 4.022 1.00 0.00 C ATOM 280 O LEU A 20 3.363 -12.061 3.569 1.00 0.00 O ATOM 281 CB LEU A 20 2.930 -9.086 2.364 1.00 0.00 C ATOM 282 CG LEU A 20 2.912 -9.492 0.891 1.00 0.00 C ATOM 283 CD1 LEU A 20 2.241 -8.418 0.046 1.00 0.00 C ATOM 284 CD2 LEU A 20 4.319 -9.780 0.389 1.00 0.00 C ATOM 0 H LEU A 20 1.488 -8.242 4.177 1.00 0.00 H new ATOM 0 HA LEU A 20 1.466 -10.614 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.528 -8.077 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.964 -9.050 2.707 1.00 0.00 H new ATOM 0 HG LEU A 20 2.330 -10.409 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.238 -8.726 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.215 -8.277 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.789 -7.481 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.279 -10.067 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.934 -8.887 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.753 -10.593 0.971 1.00 0.00 H new ATOM 296 N LYS A 21 3.554 -10.498 5.179 1.00 0.00 N ATOM 297 CA LYS A 21 4.451 -11.299 6.000 1.00 0.00 C ATOM 298 C LYS A 21 3.642 -12.291 6.820 1.00 0.00 C ATOM 299 O LYS A 21 4.064 -13.427 7.040 1.00 0.00 O ATOM 300 CB LYS A 21 5.285 -10.406 6.920 1.00 0.00 C ATOM 301 CG LYS A 21 4.454 -9.594 7.897 1.00 0.00 C ATOM 302 CD LYS A 21 5.321 -8.938 8.960 1.00 0.00 C ATOM 303 CE LYS A 21 4.684 -9.035 10.338 1.00 0.00 C ATOM 304 NZ LYS A 21 5.441 -9.949 11.238 1.00 0.00 N ATOM 0 H LYS A 21 3.330 -9.582 5.568 1.00 0.00 H new ATOM 0 HA LYS A 21 5.133 -11.844 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.984 -11.028 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.881 -9.726 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.900 -8.828 7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.718 -10.241 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.301 -9.415 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.481 -7.890 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.636 -8.043 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.658 -9.390 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.974 -9.987 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.466 -10.903 10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.413 -9.596 11.353 1.00 0.00 H new ATOM 318 N GLN A 22 2.463 -11.856 7.255 1.00 0.00 N ATOM 319 CA GLN A 22 1.577 -12.710 8.031 1.00 0.00 C ATOM 320 C GLN A 22 0.983 -13.797 7.140 1.00 0.00 C ATOM 321 O GLN A 22 0.662 -14.891 7.603 1.00 0.00 O ATOM 322 CB GLN A 22 0.459 -11.881 8.668 1.00 0.00 C ATOM 323 CG GLN A 22 -0.386 -12.661 9.663 1.00 0.00 C ATOM 324 CD GLN A 22 -1.798 -12.903 9.167 1.00 0.00 C ATOM 325 OE1 GLN A 22 -2.377 -12.065 8.474 1.00 0.00 O ATOM 326 NE2 GLN A 22 -2.361 -14.052 9.520 1.00 0.00 N ATOM 0 H GLN A 22 2.102 -10.918 7.082 1.00 0.00 H new ATOM 0 HA GLN A 22 2.156 -13.182 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.899 -11.021 9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.187 -11.493 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.092 -13.619 9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.425 -12.116 10.606 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.845 -14.717 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.310 -14.270 9.216 1.00 0.00 H new ATOM 335 N TYR A 23 0.849 -13.483 5.854 1.00 0.00 N ATOM 336 CA TYR A 23 0.306 -14.424 4.883 1.00 0.00 C ATOM 337 C TYR A 23 1.395 -15.361 4.379 1.00 0.00 C ATOM 338 O TYR A 23 1.186 -16.569 4.260 1.00 0.00 O ATOM 339 CB TYR A 23 -0.306 -13.672 3.699 1.00 0.00 C ATOM 340 CG TYR A 23 -1.783 -13.405 3.847 1.00 0.00 C ATOM 341 CD1 TYR A 23 -2.696 -14.449 3.858 1.00 0.00 C ATOM 342 CD2 TYR A 23 -2.262 -12.110 3.969 1.00 0.00 C ATOM 343 CE1 TYR A 23 -4.048 -14.209 3.988 1.00 0.00 C ATOM 344 CE2 TYR A 23 -3.612 -11.861 4.099 1.00 0.00 C ATOM 345 CZ TYR A 23 -4.503 -12.913 4.109 1.00 0.00 C ATOM 346 OH TYR A 23 -5.851 -12.669 4.239 1.00 0.00 O ATOM 0 H TYR A 23 1.111 -12.579 5.461 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.468 -15.011 5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.215 -12.723 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.140 -14.248 2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.343 -15.465 3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.567 -11.283 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.747 -15.032 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.970 -10.846 4.193 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.003 -11.704 4.314 1.00 0.00 H new ATOM 356 N GLY A 24 2.558 -14.791 4.083 1.00 0.00 N ATOM 357 CA GLY A 24 3.667 -15.586 3.592 1.00 0.00 C ATOM 358 C GLY A 24 3.939 -15.373 2.113 1.00 0.00 C ATOM 359 O GLY A 24 4.845 -15.991 1.554 1.00 0.00 O ATOM 0 H GLY A 24 2.752 -13.794 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.564 -15.339 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.458 -16.641 3.769 1.00 0.00 H new ATOM 363 N ILE A 25 3.159 -14.501 1.470 1.00 0.00 N ATOM 364 CA ILE A 25 3.343 -14.229 0.038 1.00 0.00 C ATOM 365 C ILE A 25 4.815 -13.946 -0.277 1.00 0.00 C ATOM 366 O ILE A 25 5.638 -13.835 0.631 1.00 0.00 O ATOM 367 CB ILE A 25 2.479 -13.044 -0.474 1.00 0.00 C ATOM 368 CG1 ILE A 25 1.370 -12.671 0.519 1.00 0.00 C ATOM 369 CG2 ILE A 25 1.872 -13.397 -1.825 1.00 0.00 C ATOM 370 CD1 ILE A 25 0.437 -11.592 0.007 1.00 0.00 C ATOM 0 H ILE A 25 2.403 -13.976 1.909 1.00 0.00 H new ATOM 0 HA ILE A 25 3.013 -15.129 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 25 3.131 -12.177 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.788 -13.562 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.825 -12.334 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.267 -12.563 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.669 -13.598 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.245 -14.283 -1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.321 -11.379 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.007 -10.686 -0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.047 -11.933 -0.908 1.00 0.00 H new ATOM 382 N GLY A 26 5.146 -13.838 -1.565 1.00 0.00 N ATOM 383 CA GLY A 26 6.521 -13.583 -1.954 1.00 0.00 C ATOM 384 C GLY A 26 6.984 -12.188 -1.588 1.00 0.00 C ATOM 385 O GLY A 26 6.203 -11.237 -1.625 1.00 0.00 O ATOM 0 H GLY A 26 4.488 -13.922 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.171 -14.315 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.622 -13.724 -3.030 1.00 0.00 H new ATOM 389 N ASP A 27 8.260 -12.065 -1.240 1.00 0.00 N ATOM 390 CA ASP A 27 8.830 -10.774 -0.873 1.00 0.00 C ATOM 391 C ASP A 27 8.695 -9.778 -2.019 1.00 0.00 C ATOM 392 O ASP A 27 8.710 -8.565 -1.811 1.00 0.00 O ATOM 393 CB ASP A 27 10.300 -10.931 -0.481 1.00 0.00 C ATOM 394 CG ASP A 27 11.144 -11.488 -1.610 1.00 0.00 C ATOM 395 OD1 ASP A 27 10.962 -12.674 -1.957 1.00 0.00 O ATOM 396 OD2 ASP A 27 11.985 -10.738 -2.149 1.00 0.00 O ATOM 0 H ASP A 27 8.919 -12.843 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 27 8.277 -10.390 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.698 -9.962 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.374 -11.591 0.384 1.00 0.00 H new ATOM 401 N TYR A 28 8.558 -10.299 -3.231 1.00 0.00 N ATOM 402 CA TYR A 28 8.408 -9.462 -4.416 1.00 0.00 C ATOM 403 C TYR A 28 7.361 -8.380 -4.196 1.00 0.00 C ATOM 404 O TYR A 28 7.549 -7.220 -4.561 1.00 0.00 O ATOM 405 CB TYR A 28 7.968 -10.317 -5.603 1.00 0.00 C ATOM 406 CG TYR A 28 8.484 -9.796 -6.919 1.00 0.00 C ATOM 407 CD1 TYR A 28 9.831 -9.522 -7.092 1.00 0.00 C ATOM 408 CD2 TYR A 28 7.623 -9.561 -7.980 1.00 0.00 C ATOM 409 CE1 TYR A 28 10.310 -9.029 -8.286 1.00 0.00 C ATOM 410 CE2 TYR A 28 8.092 -9.069 -9.181 1.00 0.00 C ATOM 411 CZ TYR A 28 9.436 -8.804 -9.330 1.00 0.00 C ATOM 412 OH TYR A 28 9.911 -8.312 -10.525 1.00 0.00 O ATOM 0 H TYR A 28 8.548 -11.301 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 28 9.373 -8.995 -4.615 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.319 -11.339 -5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.879 -10.355 -5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.517 -9.698 -6.277 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.569 -9.766 -7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.363 -8.820 -8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.410 -8.893 -9.999 1.00 0.00 H new ATOM 0 HH TYR A 28 9.168 -8.211 -11.156 1.00 0.00 H new ATOM 422 N TYR A 29 6.239 -8.801 -3.638 1.00 0.00 N ATOM 423 CA TYR A 29 5.096 -7.922 -3.399 1.00 0.00 C ATOM 424 C TYR A 29 5.319 -6.945 -2.247 1.00 0.00 C ATOM 425 O TYR A 29 5.069 -5.755 -2.386 1.00 0.00 O ATOM 426 CB TYR A 29 3.859 -8.786 -3.182 1.00 0.00 C ATOM 427 CG TYR A 29 3.778 -9.894 -4.212 1.00 0.00 C ATOM 428 CD1 TYR A 29 4.287 -9.700 -5.496 1.00 0.00 C ATOM 429 CD2 TYR A 29 3.229 -11.130 -3.903 1.00 0.00 C ATOM 430 CE1 TYR A 29 4.245 -10.711 -6.437 1.00 0.00 C ATOM 431 CE2 TYR A 29 3.179 -12.143 -4.841 1.00 0.00 C ATOM 432 CZ TYR A 29 3.689 -11.929 -6.106 1.00 0.00 C ATOM 433 OH TYR A 29 3.645 -12.937 -7.040 1.00 0.00 O ATOM 0 H TYR A 29 6.090 -9.764 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 29 4.957 -7.290 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.884 -9.217 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.964 -8.166 -3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.720 -8.746 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.834 -11.303 -2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.646 -10.548 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.743 -13.098 -4.586 1.00 0.00 H new ATOM 0 HH TYR A 29 3.223 -13.729 -6.647 1.00 0.00 H new ATOM 443 N ILE A 30 5.812 -7.413 -1.117 1.00 0.00 N ATOM 444 CA ILE A 30 6.070 -6.501 -0.011 1.00 0.00 C ATOM 445 C ILE A 30 6.985 -5.380 -0.509 1.00 0.00 C ATOM 446 O ILE A 30 6.946 -4.249 -0.020 1.00 0.00 O ATOM 447 CB ILE A 30 6.705 -7.235 1.183 1.00 0.00 C ATOM 448 CG1 ILE A 30 7.069 -6.262 2.309 1.00 0.00 C ATOM 449 CG2 ILE A 30 7.911 -8.026 0.724 1.00 0.00 C ATOM 450 CD1 ILE A 30 8.296 -5.423 2.032 1.00 0.00 C ATOM 0 H ILE A 30 6.038 -8.391 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 30 5.127 -6.081 0.338 1.00 0.00 H new ATOM 0 HB ILE A 30 5.971 -7.931 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.223 -5.599 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.230 -6.829 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.354 -8.542 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.603 -8.757 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.646 -7.349 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.484 -4.762 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.157 -6.075 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.134 -4.826 1.135 1.00 0.00 H new ATOM 462 N LYS A 31 7.790 -5.717 -1.516 1.00 0.00 N ATOM 463 CA LYS A 31 8.712 -4.773 -2.130 1.00 0.00 C ATOM 464 C LYS A 31 8.026 -3.969 -3.227 1.00 0.00 C ATOM 465 O LYS A 31 8.111 -2.741 -3.252 1.00 0.00 O ATOM 466 CB LYS A 31 9.903 -5.523 -2.720 1.00 0.00 C ATOM 467 CG LYS A 31 11.139 -5.499 -1.835 1.00 0.00 C ATOM 468 CD LYS A 31 11.192 -6.710 -0.916 1.00 0.00 C ATOM 469 CE LYS A 31 11.551 -6.318 0.510 1.00 0.00 C ATOM 470 NZ LYS A 31 12.933 -6.737 0.871 1.00 0.00 N ATOM 0 H LYS A 31 7.819 -6.651 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 31 9.054 -4.083 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.616 -6.559 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.152 -5.088 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.033 -5.475 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.142 -4.587 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.226 -7.215 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.926 -7.422 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.458 -5.238 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.842 -6.773 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.138 -6.451 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.015 -7.770 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.613 -6.282 0.228 1.00 0.00 H new ATOM 484 N LEU A 32 7.343 -4.667 -4.134 1.00 0.00 N ATOM 485 CA LEU A 32 6.642 -4.007 -5.230 1.00 0.00 C ATOM 486 C LEU A 32 5.711 -2.907 -4.689 1.00 0.00 C ATOM 487 O LEU A 32 5.305 -2.005 -5.421 1.00 0.00 O ATOM 488 CB LEU A 32 5.901 -5.061 -6.090 1.00 0.00 C ATOM 489 CG LEU A 32 4.384 -5.093 -5.966 1.00 0.00 C ATOM 490 CD1 LEU A 32 4.017 -5.098 -4.506 1.00 0.00 C ATOM 491 CD2 LEU A 32 3.757 -3.913 -6.690 1.00 0.00 C ATOM 0 H LEU A 32 7.262 -5.684 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 32 7.360 -3.509 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.154 -4.887 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.286 -6.047 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 32 3.997 -5.997 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.932 -5.121 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.445 -5.978 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.408 -4.199 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.673 -3.958 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.125 -2.983 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.023 -3.951 -7.746 1.00 0.00 H new ATOM 503 N ILE A 33 5.401 -2.988 -3.388 1.00 0.00 N ATOM 504 CA ILE A 33 4.550 -2.011 -2.721 1.00 0.00 C ATOM 505 C ILE A 33 5.343 -0.750 -2.402 1.00 0.00 C ATOM 506 O ILE A 33 4.981 0.348 -2.823 1.00 0.00 O ATOM 507 CB ILE A 33 3.968 -2.603 -1.412 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.826 -3.570 -1.742 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.501 -1.499 -0.463 1.00 0.00 C ATOM 510 CD1 ILE A 33 1.974 -3.965 -0.552 1.00 0.00 C ATOM 0 H ILE A 33 5.735 -3.732 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 33 3.729 -1.758 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 33 4.756 -3.155 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.185 -3.112 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.247 -4.472 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.098 -1.947 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.344 -0.857 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.727 -0.905 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.191 -4.650 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.598 -4.455 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.520 -3.074 -0.118 1.00 0.00 H new ATOM 522 N ASN A 34 6.429 -0.916 -1.655 1.00 0.00 N ATOM 523 CA ASN A 34 7.278 0.208 -1.276 1.00 0.00 C ATOM 524 C ASN A 34 7.669 1.052 -2.490 1.00 0.00 C ATOM 525 O ASN A 34 8.015 2.226 -2.353 1.00 0.00 O ATOM 526 CB ASN A 34 8.537 -0.297 -0.569 1.00 0.00 C ATOM 527 CG ASN A 34 8.996 0.636 0.534 1.00 0.00 C ATOM 528 OD1 ASN A 34 8.821 0.351 1.718 1.00 0.00 O ATOM 529 ND2 ASN A 34 9.587 1.761 0.148 1.00 0.00 N ATOM 0 H ASN A 34 6.743 -1.819 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 34 6.707 0.839 -0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.343 -1.284 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.338 -0.413 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.916 2.429 0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.711 1.957 -0.845 1.00 0.00 H new ATOM 536 N ASN A 35 7.626 0.447 -3.676 1.00 0.00 N ATOM 537 CA ASN A 35 7.991 1.146 -4.905 1.00 0.00 C ATOM 538 C ASN A 35 6.903 2.121 -5.354 1.00 0.00 C ATOM 539 O ASN A 35 7.171 3.049 -6.118 1.00 0.00 O ATOM 540 CB ASN A 35 8.273 0.137 -6.020 1.00 0.00 C ATOM 541 CG ASN A 35 9.669 -0.447 -5.931 1.00 0.00 C ATOM 542 OD1 ASN A 35 9.918 -1.377 -5.163 1.00 0.00 O ATOM 543 ND2 ASN A 35 10.590 0.096 -6.719 1.00 0.00 N ATOM 0 H ASN A 35 7.343 -0.524 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 35 8.891 1.725 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.541 -0.669 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.147 0.624 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.547 -0.256 -6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.340 0.865 -7.340 1.00 0.00 H new ATOM 550 N ALA A 36 5.674 1.908 -4.889 1.00 0.00 N ATOM 551 CA ALA A 36 4.560 2.775 -5.263 1.00 0.00 C ATOM 552 C ALA A 36 4.827 4.228 -4.876 1.00 0.00 C ATOM 553 O ALA A 36 5.543 4.504 -3.913 1.00 0.00 O ATOM 554 CB ALA A 36 3.270 2.284 -4.628 1.00 0.00 C ATOM 0 H ALA A 36 5.426 1.147 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 36 4.456 2.735 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.449 2.941 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.060 1.270 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.374 2.288 -3.543 1.00 0.00 H new ATOM 560 N LYS A 37 4.244 5.153 -5.635 1.00 0.00 N ATOM 561 CA LYS A 37 4.415 6.581 -5.374 1.00 0.00 C ATOM 562 C LYS A 37 3.225 7.141 -4.597 1.00 0.00 C ATOM 563 O LYS A 37 3.369 8.055 -3.793 1.00 0.00 O ATOM 564 CB LYS A 37 4.597 7.345 -6.687 1.00 0.00 C ATOM 565 CG LYS A 37 3.367 7.350 -7.582 1.00 0.00 C ATOM 566 CD LYS A 37 3.341 6.135 -8.498 1.00 0.00 C ATOM 567 CE LYS A 37 2.040 5.358 -8.363 1.00 0.00 C ATOM 568 NZ LYS A 37 2.103 4.045 -9.063 1.00 0.00 N ATOM 0 H LYS A 37 3.649 4.940 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 37 5.310 6.709 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.871 8.375 -6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.430 6.907 -7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.468 7.363 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.356 8.260 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.468 6.456 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.181 5.482 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.821 5.197 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.220 5.949 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.198 3.546 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.287 4.200 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.869 3.471 -8.656 1.00 0.00 H new ATOM 582 N THR A 38 2.050 6.570 -4.839 1.00 0.00 N ATOM 583 CA THR A 38 0.832 6.995 -4.160 1.00 0.00 C ATOM 584 C THR A 38 0.540 6.055 -2.996 1.00 0.00 C ATOM 585 O THR A 38 1.456 5.432 -2.460 1.00 0.00 O ATOM 586 CB THR A 38 -0.342 7.014 -5.143 1.00 0.00 C ATOM 587 OG1 THR A 38 -0.780 5.698 -5.428 1.00 0.00 O ATOM 588 CG2 THR A 38 -0.010 7.683 -6.460 1.00 0.00 C ATOM 0 H THR A 38 1.916 5.808 -5.504 1.00 0.00 H new ATOM 0 HA THR A 38 0.970 8.004 -3.772 1.00 0.00 H new ATOM 0 HB THR A 38 -1.123 7.591 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.531 5.732 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.885 7.662 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.283 8.717 -6.279 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.812 7.152 -6.941 1.00 0.00 H new ATOM 596 N VAL A 39 -0.726 5.942 -2.601 1.00 0.00 N ATOM 597 CA VAL A 39 -1.081 5.057 -1.501 1.00 0.00 C ATOM 598 C VAL A 39 -2.310 4.208 -1.811 1.00 0.00 C ATOM 599 O VAL A 39 -2.332 3.011 -1.524 1.00 0.00 O ATOM 600 CB VAL A 39 -1.291 5.823 -0.186 1.00 0.00 C ATOM 601 CG1 VAL A 39 -2.728 6.264 -0.012 1.00 0.00 C ATOM 602 CG2 VAL A 39 -0.863 4.944 0.964 1.00 0.00 C ATOM 0 H VAL A 39 -1.509 6.444 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.230 4.387 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.684 6.728 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.832 6.802 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.010 6.919 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.379 5.389 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.008 5.478 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.462 4.033 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.190 4.685 0.852 1.00 0.00 H new ATOM 612 N GLU A 40 -3.335 4.825 -2.389 1.00 0.00 N ATOM 613 CA GLU A 40 -4.563 4.108 -2.722 1.00 0.00 C ATOM 614 C GLU A 40 -4.255 2.814 -3.467 1.00 0.00 C ATOM 615 O GLU A 40 -4.906 1.792 -3.251 1.00 0.00 O ATOM 616 CB GLU A 40 -5.487 4.990 -3.563 1.00 0.00 C ATOM 617 CG GLU A 40 -6.957 4.671 -3.375 1.00 0.00 C ATOM 618 CD GLU A 40 -7.814 5.921 -3.276 1.00 0.00 C ATOM 619 OE1 GLU A 40 -7.986 6.605 -4.305 1.00 0.00 O ATOM 620 OE2 GLU A 40 -8.312 6.213 -2.169 1.00 0.00 O ATOM 0 H GLU A 40 -3.342 5.815 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.068 3.856 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.314 6.035 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.229 4.874 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.303 4.062 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.084 4.075 -2.471 1.00 0.00 H new ATOM 627 N GLY A 41 -3.249 2.862 -4.332 1.00 0.00 N ATOM 628 CA GLY A 41 -2.865 1.683 -5.081 1.00 0.00 C ATOM 629 C GLY A 41 -1.976 0.763 -4.270 1.00 0.00 C ATOM 630 O GLY A 41 -1.941 -0.443 -4.501 1.00 0.00 O ATOM 0 H GLY A 41 -2.694 3.695 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.759 1.143 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.343 1.984 -5.989 1.00 0.00 H new ATOM 634 N VAL A 42 -1.254 1.338 -3.314 1.00 0.00 N ATOM 635 CA VAL A 42 -0.357 0.568 -2.463 1.00 0.00 C ATOM 636 C VAL A 42 -1.109 -0.480 -1.648 1.00 0.00 C ATOM 637 O VAL A 42 -0.793 -1.667 -1.698 1.00 0.00 O ATOM 638 CB VAL A 42 0.413 1.476 -1.493 1.00 0.00 C ATOM 639 CG1 VAL A 42 1.386 0.646 -0.687 1.00 0.00 C ATOM 640 CG2 VAL A 42 1.146 2.574 -2.242 1.00 0.00 C ATOM 0 H VAL A 42 -1.273 2.337 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 42 0.343 0.069 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.299 1.951 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.932 1.291 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.839 -0.108 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.090 0.155 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.683 3.203 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.854 2.128 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.427 3.181 -2.793 1.00 0.00 H new ATOM 650 N GLU A 43 -2.096 -0.031 -0.889 1.00 0.00 N ATOM 651 CA GLU A 43 -2.886 -0.933 -0.054 1.00 0.00 C ATOM 652 C GLU A 43 -3.629 -1.947 -0.912 1.00 0.00 C ATOM 653 O GLU A 43 -3.644 -3.141 -0.610 1.00 0.00 O ATOM 654 CB GLU A 43 -3.881 -0.141 0.794 1.00 0.00 C ATOM 655 CG GLU A 43 -4.435 1.082 0.084 1.00 0.00 C ATOM 656 CD GLU A 43 -5.702 1.611 0.727 1.00 0.00 C ATOM 657 OE1 GLU A 43 -5.760 1.659 1.973 1.00 0.00 O ATOM 658 OE2 GLU A 43 -6.636 1.978 -0.017 1.00 0.00 O ATOM 0 H GLU A 43 -2.372 0.949 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.204 -1.468 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.707 -0.794 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.393 0.173 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.679 1.868 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.639 0.831 -0.957 1.00 0.00 H new ATOM 665 N SER A 44 -4.239 -1.465 -1.985 1.00 0.00 N ATOM 666 CA SER A 44 -4.978 -2.326 -2.894 1.00 0.00 C ATOM 667 C SER A 44 -4.023 -3.224 -3.672 1.00 0.00 C ATOM 668 O SER A 44 -4.399 -4.302 -4.127 1.00 0.00 O ATOM 669 CB SER A 44 -5.814 -1.479 -3.856 1.00 0.00 C ATOM 670 OG SER A 44 -5.075 -1.137 -5.017 1.00 0.00 O ATOM 0 H SER A 44 -4.236 -0.479 -2.247 1.00 0.00 H new ATOM 0 HA SER A 44 -5.647 -2.959 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.711 -2.028 -4.142 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.144 -0.571 -3.352 1.00 0.00 H new ATOM 0 HG SER A 44 -5.534 -1.483 -5.811 1.00 0.00 H new ATOM 676 N LEU A 45 -2.781 -2.769 -3.815 1.00 0.00 N ATOM 677 CA LEU A 45 -1.760 -3.527 -4.535 1.00 0.00 C ATOM 678 C LEU A 45 -1.587 -4.921 -3.935 1.00 0.00 C ATOM 679 O LEU A 45 -1.780 -5.924 -4.619 1.00 0.00 O ATOM 680 CB LEU A 45 -0.425 -2.770 -4.508 1.00 0.00 C ATOM 681 CG LEU A 45 -0.073 -1.956 -5.769 1.00 0.00 C ATOM 682 CD1 LEU A 45 1.153 -2.534 -6.454 1.00 0.00 C ATOM 683 CD2 LEU A 45 -1.240 -1.850 -6.746 1.00 0.00 C ATOM 0 H LEU A 45 -2.456 -1.877 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.086 -3.641 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.434 -2.092 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.373 -3.491 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 45 0.152 -0.942 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.385 -1.946 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.000 -2.506 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.955 -3.566 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.935 -1.266 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.539 -2.848 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.081 -1.359 -6.256 1.00 0.00 H new ATOM 694 N LYS A 46 -1.226 -4.978 -2.657 1.00 0.00 N ATOM 695 CA LYS A 46 -1.033 -6.256 -1.979 1.00 0.00 C ATOM 696 C LYS A 46 -2.373 -6.974 -1.799 1.00 0.00 C ATOM 697 O LYS A 46 -2.496 -8.163 -2.078 1.00 0.00 O ATOM 698 CB LYS A 46 -0.321 -6.043 -0.629 1.00 0.00 C ATOM 699 CG LYS A 46 -0.822 -6.921 0.513 1.00 0.00 C ATOM 700 CD LYS A 46 -2.029 -6.303 1.204 1.00 0.00 C ATOM 701 CE LYS A 46 -2.366 -7.026 2.497 1.00 0.00 C ATOM 702 NZ LYS A 46 -3.000 -6.121 3.496 1.00 0.00 N ATOM 0 H LYS A 46 -1.062 -4.159 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.397 -6.891 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.745 -6.225 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.431 -4.998 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.087 -7.905 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.022 -7.068 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.829 -5.253 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.888 -6.335 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.038 -7.857 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.457 -7.453 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.310 -5.885 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.314 -5.249 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.819 -6.597 3.925 1.00 0.00 H new ATOM 716 N ASN A 47 -3.381 -6.254 -1.338 1.00 0.00 N ATOM 717 CA ASN A 47 -4.694 -6.855 -1.136 1.00 0.00 C ATOM 718 C ASN A 47 -5.219 -7.438 -2.443 1.00 0.00 C ATOM 719 O ASN A 47 -5.980 -8.406 -2.442 1.00 0.00 O ATOM 720 CB ASN A 47 -5.679 -5.825 -0.578 1.00 0.00 C ATOM 721 CG ASN A 47 -6.592 -6.413 0.479 1.00 0.00 C ATOM 722 OD1 ASN A 47 -7.816 -6.368 0.354 1.00 0.00 O ATOM 723 ND2 ASN A 47 -6.001 -6.968 1.531 1.00 0.00 N ATOM 0 H ASN A 47 -3.321 -5.264 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.594 -7.662 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.124 -4.990 -0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.282 -5.424 -1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.565 -7.378 2.275 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.983 -6.984 1.595 1.00 0.00 H new ATOM 730 N GLU A 48 -4.789 -6.857 -3.558 1.00 0.00 N ATOM 731 CA GLU A 48 -5.198 -7.339 -4.872 1.00 0.00 C ATOM 732 C GLU A 48 -4.427 -8.607 -5.210 1.00 0.00 C ATOM 733 O GLU A 48 -4.985 -9.571 -5.736 1.00 0.00 O ATOM 734 CB GLU A 48 -4.953 -6.276 -5.944 1.00 0.00 C ATOM 735 CG GLU A 48 -6.071 -5.253 -6.054 1.00 0.00 C ATOM 736 CD GLU A 48 -5.660 -4.021 -6.836 1.00 0.00 C ATOM 737 OE1 GLU A 48 -4.915 -4.168 -7.828 1.00 0.00 O ATOM 738 OE2 GLU A 48 -6.082 -2.908 -6.457 1.00 0.00 O ATOM 0 H GLU A 48 -4.160 -6.055 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.266 -7.556 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.019 -5.759 -5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.826 -6.767 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.933 -5.713 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.386 -4.955 -5.054 1.00 0.00 H new ATOM 745 N ILE A 49 -3.140 -8.601 -4.876 1.00 0.00 N ATOM 746 CA ILE A 49 -2.285 -9.756 -5.116 1.00 0.00 C ATOM 747 C ILE A 49 -2.808 -10.953 -4.336 1.00 0.00 C ATOM 748 O ILE A 49 -2.627 -12.105 -4.731 1.00 0.00 O ATOM 749 CB ILE A 49 -0.813 -9.471 -4.717 1.00 0.00 C ATOM 750 CG1 ILE A 49 -0.624 -9.485 -3.193 1.00 0.00 C ATOM 751 CG2 ILE A 49 -0.357 -8.138 -5.296 1.00 0.00 C ATOM 752 CD1 ILE A 49 0.742 -9.935 -2.757 1.00 0.00 C ATOM 0 H ILE A 49 -2.668 -7.810 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.306 -9.973 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.197 -10.269 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.808 -8.484 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.372 -10.142 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.678 -7.951 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.431 -8.169 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.991 -7.339 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.800 -9.919 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.923 -10.949 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.495 -9.264 -3.171 1.00 0.00 H new ATOM 764 N LEU A 50 -3.464 -10.654 -3.221 1.00 0.00 N ATOM 765 CA LEU A 50 -4.032 -11.672 -2.358 1.00 0.00 C ATOM 766 C LEU A 50 -5.394 -12.106 -2.876 1.00 0.00 C ATOM 767 O LEU A 50 -5.784 -13.265 -2.732 1.00 0.00 O ATOM 768 CB LEU A 50 -4.146 -11.127 -0.934 1.00 0.00 C ATOM 769 CG LEU A 50 -2.807 -10.873 -0.243 1.00 0.00 C ATOM 770 CD1 LEU A 50 -2.853 -9.576 0.545 1.00 0.00 C ATOM 771 CD2 LEU A 50 -2.440 -12.042 0.659 1.00 0.00 C ATOM 0 H LEU A 50 -3.615 -9.700 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.379 -12.544 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.710 -10.194 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.722 -11.831 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.036 -10.780 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.891 -9.411 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.065 -8.747 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.635 -9.637 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.484 -11.842 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.211 -12.171 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.363 -12.951 0.063 1.00 0.00 H new ATOM 783 N LYS A 51 -6.107 -11.173 -3.498 1.00 0.00 N ATOM 784 CA LYS A 51 -7.417 -11.472 -4.059 1.00 0.00 C ATOM 785 C LYS A 51 -7.321 -12.669 -4.999 1.00 0.00 C ATOM 786 O LYS A 51 -8.299 -13.383 -5.216 1.00 0.00 O ATOM 787 CB LYS A 51 -7.966 -10.257 -4.811 1.00 0.00 C ATOM 788 CG LYS A 51 -9.483 -10.229 -4.896 1.00 0.00 C ATOM 789 CD LYS A 51 -9.974 -9.068 -5.750 1.00 0.00 C ATOM 790 CE LYS A 51 -10.558 -9.551 -7.068 1.00 0.00 C ATOM 791 NZ LYS A 51 -9.506 -10.060 -7.991 1.00 0.00 N ATOM 0 H LYS A 51 -5.801 -10.208 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.099 -11.714 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.621 -9.348 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.554 -10.248 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.842 -11.168 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.903 -10.147 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.729 -8.506 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.148 -8.385 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.284 -10.341 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.096 -8.733 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.947 -10.379 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.827 -9.300 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.009 -10.857 -7.545 1.00 0.00 H new ATOM 805 N ALA A 52 -6.126 -12.882 -5.552 1.00 0.00 N ATOM 806 CA ALA A 52 -5.896 -13.994 -6.462 1.00 0.00 C ATOM 807 C ALA A 52 -4.677 -14.814 -6.050 1.00 0.00 C ATOM 808 O ALA A 52 -3.846 -15.172 -6.885 1.00 0.00 O ATOM 809 CB ALA A 52 -5.738 -13.484 -7.886 1.00 0.00 C ATOM 0 H ALA A 52 -5.307 -12.298 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.765 -14.650 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.566 -14.326 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.644 -12.959 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.890 -12.801 -7.936 1.00 0.00 H new ATOM 815 N LEU A 53 -4.578 -15.114 -4.759 1.00 0.00 N ATOM 816 CA LEU A 53 -3.461 -15.899 -4.242 1.00 0.00 C ATOM 817 C LEU A 53 -3.769 -17.397 -4.290 1.00 0.00 C ATOM 818 O LEU A 53 -2.954 -18.186 -4.770 1.00 0.00 O ATOM 819 CB LEU A 53 -3.127 -15.482 -2.809 1.00 0.00 C ATOM 820 CG LEU A 53 -1.643 -15.578 -2.439 1.00 0.00 C ATOM 821 CD1 LEU A 53 -1.106 -14.220 -2.014 1.00 0.00 C ATOM 822 CD2 LEU A 53 -1.432 -16.604 -1.335 1.00 0.00 C ATOM 0 H LEU A 53 -5.255 -14.827 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.598 -15.704 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.458 -14.455 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.699 -16.105 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.092 -15.903 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.051 -14.311 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.219 -13.511 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.663 -13.864 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.372 -16.658 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.998 -16.309 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.775 -17.581 -1.676 1.00 0.00 H new ATOM 834 N PRO A 54 -4.948 -17.815 -3.791 1.00 0.00 N ATOM 835 CA PRO A 54 -5.344 -19.228 -3.785 1.00 0.00 C ATOM 836 C PRO A 54 -5.197 -19.878 -5.156 1.00 0.00 C ATOM 837 O PRO A 54 -6.051 -19.714 -6.027 1.00 0.00 O ATOM 838 CB PRO A 54 -6.815 -19.185 -3.369 1.00 0.00 C ATOM 839 CG PRO A 54 -6.947 -17.930 -2.579 1.00 0.00 C ATOM 840 CD PRO A 54 -5.987 -16.950 -3.196 1.00 0.00 C ATOM 0 HA PRO A 54 -4.717 -19.822 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.472 -19.177 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.084 -20.058 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.968 -17.551 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.708 -18.102 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.474 -16.331 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.568 -16.274 -2.450 1.00 0.00 H new ATOM 848 N THR A 55 -4.109 -20.618 -5.341 1.00 0.00 N ATOM 849 CA THR A 55 -3.850 -21.295 -6.607 1.00 0.00 C ATOM 850 C THR A 55 -3.044 -22.570 -6.385 1.00 0.00 C ATOM 851 O THR A 55 -2.218 -22.948 -7.216 1.00 0.00 O ATOM 852 CB THR A 55 -3.101 -20.364 -7.563 1.00 0.00 C ATOM 853 OG1 THR A 55 -3.533 -19.025 -7.400 1.00 0.00 O ATOM 854 CG2 THR A 55 -3.284 -20.732 -9.019 1.00 0.00 C ATOM 0 H THR A 55 -3.392 -20.764 -4.630 1.00 0.00 H new ATOM 0 HA THR A 55 -4.809 -21.564 -7.050 1.00 0.00 H new ATOM 0 HB THR A 55 -2.047 -20.472 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.211 -18.679 -6.542 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.728 -20.033 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.914 -21.743 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.342 -20.685 -9.276 1.00 0.00 H new ATOM 862 N GLU A 56 -3.290 -23.230 -5.258 1.00 0.00 N ATOM 863 CA GLU A 56 -2.588 -24.465 -4.925 1.00 0.00 C ATOM 864 C GLU A 56 -3.537 -25.659 -4.970 1.00 0.00 C ATOM 865 O GLU A 56 -4.635 -25.564 -4.382 1.00 0.00 O ATOM 866 CB GLU A 56 -1.952 -24.356 -3.539 1.00 0.00 C ATOM 867 CG GLU A 56 -0.600 -25.044 -3.434 1.00 0.00 C ATOM 868 CD GLU A 56 0.082 -24.789 -2.104 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.340 -25.392 -1.095 1.00 0.00 O ATOM 870 OE2 GLU A 56 1.037 -23.985 -2.072 1.00 0.00 O ATOM 871 OXT GLU A 56 -3.174 -26.679 -5.592 1.00 0.00 O ATOM 0 H GLU A 56 -3.970 -22.930 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.804 -24.619 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.835 -23.303 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.629 -24.789 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.731 -26.117 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.044 -24.696 -4.241 1.00 0.00 H new TER 878 GLU A 56