USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= -1.19 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.7!) USER MOD Single : A 8 TYR OH : rot 130:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0.0732 USER MOD Single : A -2 ILE N :NH3+ 170:sc= -0.178 (180deg=-0.476) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 0.555 (180deg=0.132) USER MOD Single : A 21 ASN : amide:sc=-0.00329 X(o=-0.0033,f=-0.05) USER MOD Single : A 25 LYS NZ :NH3+ 129:sc= -0.256 (180deg=-0.795) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 33 ASN : amide:sc= 0.189 K(o=0.19,f=-6.4!) USER MOD Single : A 34 TYR OH : rot 165:sc= 0.345 USER MOD Single : A 35 SER OG : rot 180:sc= -0.632 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -91:sc= -0.467 USER MOD Single : A 46 ASN : amide:sc= -4.43! C(o=-4.4!,f=-5.7!) USER MOD Single : A 48 SER OG : rot -91:sc= 0.0781 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.48 USER MOD Single : A 51 SER OG : rot -84:sc= -0.0742 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= -0.156 (180deg=-0.697) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= -0.397 (180deg=-1.55!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.0064) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -14.753 -18.248 -8.311 1.00 0.00 N ATOM 2 CA ILE A -2 -15.383 -17.533 -7.169 1.00 0.00 C ATOM 3 C ILE A -2 -16.579 -18.307 -6.626 1.00 0.00 C ATOM 4 O ILE A -2 -17.648 -18.327 -7.237 1.00 0.00 O ATOM 5 CB ILE A -2 -15.844 -16.112 -7.566 1.00 0.00 C ATOM 6 CG1 ILE A -2 -16.319 -16.075 -9.023 1.00 0.00 C ATOM 7 CG2 ILE A -2 -14.717 -15.114 -7.351 1.00 0.00 C ATOM 8 CD1 ILE A -2 -16.849 -14.722 -9.452 1.00 0.00 C ATOM 0 H1 ILE A -2 -14.055 -17.627 -8.767 1.00 0.00 H new ATOM 0 H2 ILE A -2 -14.279 -19.106 -7.964 1.00 0.00 H new ATOM 0 H3 ILE A -2 -15.485 -18.512 -9.002 1.00 0.00 H new ATOM 0 HA ILE A -2 -14.620 -17.453 -6.395 1.00 0.00 H new ATOM 0 HB ILE A -2 -16.685 -15.837 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -15.491 -16.355 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -17.100 -16.823 -9.161 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -15.055 -14.117 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -14.427 -15.114 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -13.861 -15.395 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -17.167 -14.769 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -17.698 -14.448 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -16.064 -13.973 -9.346 1.00 0.00 H new ATOM 22 N SER A -1 -16.391 -18.947 -5.476 1.00 0.00 N ATOM 23 CA SER A -1 -17.454 -19.721 -4.850 1.00 0.00 C ATOM 24 C SER A -1 -18.389 -18.812 -4.060 1.00 0.00 C ATOM 25 O SER A -1 -19.612 -18.920 -4.162 1.00 0.00 O ATOM 26 CB SER A -1 -16.860 -20.789 -3.929 1.00 0.00 C ATOM 27 OG SER A -1 -15.605 -20.377 -3.415 1.00 0.00 O ATOM 0 H SER A -1 -15.511 -18.944 -4.960 1.00 0.00 H new ATOM 0 HA SER A -1 -18.029 -20.210 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A -1 -17.547 -20.987 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A -1 -16.743 -21.723 -4.478 1.00 0.00 H new ATOM 0 HG SER A -1 -15.247 -21.075 -2.828 1.00 0.00 H new ATOM 33 N SER A 2 -17.804 -17.915 -3.276 1.00 0.00 N ATOM 34 CA SER A 2 -18.580 -16.980 -2.475 1.00 0.00 C ATOM 35 C SER A 2 -18.694 -15.634 -3.184 1.00 0.00 C ATOM 36 O SER A 2 -17.952 -15.360 -4.128 1.00 0.00 O ATOM 37 CB SER A 2 -17.937 -16.795 -1.098 1.00 0.00 C ATOM 38 OG SER A 2 -18.914 -16.830 -0.071 1.00 0.00 O ATOM 0 H SER A 2 -16.793 -17.816 -3.179 1.00 0.00 H new ATOM 0 HA SER A 2 -19.581 -17.391 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.199 -17.579 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.405 -15.844 -1.066 1.00 0.00 H new ATOM 0 HG SER A 2 -18.479 -16.711 0.799 1.00 0.00 H new ATOM 44 N PRO A 3 -19.624 -14.770 -2.740 1.00 0.00 N ATOM 45 CA PRO A 3 -19.814 -13.459 -3.343 1.00 0.00 C ATOM 46 C PRO A 3 -18.774 -12.452 -2.869 1.00 0.00 C ATOM 47 O PRO A 3 -18.800 -12.014 -1.718 1.00 0.00 O ATOM 48 CB PRO A 3 -21.212 -13.038 -2.897 1.00 0.00 C ATOM 49 CG PRO A 3 -21.561 -13.893 -1.720 1.00 0.00 C ATOM 50 CD PRO A 3 -20.546 -15.006 -1.619 1.00 0.00 C ATOM 0 HA PRO A 3 -19.705 -13.497 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -21.231 -11.982 -2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -21.933 -13.175 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -21.563 -13.298 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -22.564 -14.304 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -20.023 -14.980 -0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -21.021 -15.984 -1.696 1.00 0.00 H new ATOM 58 N LYS A 4 -17.860 -12.090 -3.763 1.00 0.00 N ATOM 59 CA LYS A 4 -16.810 -11.130 -3.440 1.00 0.00 C ATOM 60 C LYS A 4 -16.517 -10.226 -4.632 1.00 0.00 C ATOM 61 O LYS A 4 -15.567 -10.454 -5.382 1.00 0.00 O ATOM 62 CB LYS A 4 -15.531 -11.847 -3.003 1.00 0.00 C ATOM 63 CG LYS A 4 -14.779 -11.124 -1.897 1.00 0.00 C ATOM 64 CD LYS A 4 -13.307 -10.953 -2.236 1.00 0.00 C ATOM 65 CE LYS A 4 -12.501 -12.180 -1.846 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.233 -12.282 -2.621 1.00 0.00 N ATOM 0 H LYS A 4 -17.825 -12.447 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.165 -10.515 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.785 -12.851 -2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.874 -11.959 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.230 -10.146 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.875 -11.683 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.197 -10.769 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.913 -10.078 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.273 -12.141 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.100 -13.075 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.713 -13.132 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.451 -12.345 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.649 -11.440 -2.444 1.00 0.00 H new ATOM 80 N GLN A 5 -17.338 -9.197 -4.796 1.00 0.00 N ATOM 81 CA GLN A 5 -17.168 -8.245 -5.889 1.00 0.00 C ATOM 82 C GLN A 5 -15.985 -7.336 -5.608 1.00 0.00 C ATOM 83 O GLN A 5 -15.127 -7.118 -6.465 1.00 0.00 O ATOM 84 CB GLN A 5 -18.428 -7.390 -6.101 1.00 0.00 C ATOM 85 CG GLN A 5 -19.397 -7.349 -4.924 1.00 0.00 C ATOM 86 CD GLN A 5 -19.825 -5.937 -4.566 1.00 0.00 C ATOM 87 OE1 GLN A 5 -19.207 -4.961 -4.992 1.00 0.00 O ATOM 88 NE2 GLN A 5 -20.885 -5.824 -3.775 1.00 0.00 N ATOM 0 H GLN A 5 -18.130 -8.999 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.989 -8.819 -6.798 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.120 -6.370 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.960 -7.767 -6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.280 -7.942 -5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.928 -7.813 -4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.367 -6.660 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.218 -4.901 -3.497 1.00 0.00 H new ATOM 97 N GLU A 6 -15.964 -6.796 -4.400 1.00 0.00 N ATOM 98 CA GLU A 6 -14.911 -5.902 -3.967 1.00 0.00 C ATOM 99 C GLU A 6 -13.599 -6.656 -3.784 1.00 0.00 C ATOM 100 O GLU A 6 -13.038 -6.690 -2.689 1.00 0.00 O ATOM 101 CB GLU A 6 -15.305 -5.206 -2.660 1.00 0.00 C ATOM 102 CG GLU A 6 -15.665 -6.169 -1.540 1.00 0.00 C ATOM 103 CD GLU A 6 -15.411 -5.585 -0.164 1.00 0.00 C ATOM 104 OE1 GLU A 6 -15.438 -4.342 -0.032 1.00 0.00 O ATOM 105 OE2 GLU A 6 -15.185 -6.369 0.781 1.00 0.00 O ATOM 0 H GLU A 6 -16.679 -6.968 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.769 -5.147 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.480 -4.573 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.154 -4.549 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.716 -6.443 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.086 -7.086 -1.654 1.00 0.00 H new ATOM 112 N GLU A 7 -13.119 -7.270 -4.860 1.00 0.00 N ATOM 113 CA GLU A 7 -11.877 -8.024 -4.817 1.00 0.00 C ATOM 114 C GLU A 7 -10.743 -7.159 -4.293 1.00 0.00 C ATOM 115 O GLU A 7 -10.934 -5.984 -4.003 1.00 0.00 O ATOM 116 CB GLU A 7 -11.512 -8.552 -6.208 1.00 0.00 C ATOM 117 CG GLU A 7 -11.234 -10.046 -6.241 1.00 0.00 C ATOM 118 CD GLU A 7 -9.750 -10.368 -6.272 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.040 -9.815 -7.139 1.00 0.00 O ATOM 120 OE2 GLU A 7 -9.297 -11.170 -5.429 1.00 0.00 O ATOM 0 H GLU A 7 -13.574 -7.259 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.025 -8.868 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.326 -8.328 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.632 -8.020 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.684 -10.514 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.714 -10.481 -7.118 1.00 0.00 H new ATOM 127 N TYR A 8 -9.559 -7.754 -4.210 1.00 0.00 N ATOM 128 CA TYR A 8 -8.349 -7.075 -3.748 1.00 0.00 C ATOM 129 C TYR A 8 -8.404 -5.556 -3.949 1.00 0.00 C ATOM 130 O TYR A 8 -7.986 -5.049 -4.988 1.00 0.00 O ATOM 131 CB TYR A 8 -7.148 -7.643 -4.504 1.00 0.00 C ATOM 132 CG TYR A 8 -5.984 -8.012 -3.618 1.00 0.00 C ATOM 133 CD1 TYR A 8 -6.174 -8.714 -2.435 1.00 0.00 C ATOM 134 CD2 TYR A 8 -4.695 -7.655 -3.968 1.00 0.00 C ATOM 135 CE1 TYR A 8 -5.106 -9.045 -1.626 1.00 0.00 C ATOM 136 CE2 TYR A 8 -3.623 -7.981 -3.168 1.00 0.00 C ATOM 137 CZ TYR A 8 -3.831 -8.676 -1.998 1.00 0.00 C ATOM 138 OH TYR A 8 -2.762 -9.000 -1.195 1.00 0.00 O ATOM 0 H TYR A 8 -9.408 -8.730 -4.463 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.261 -7.251 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.465 -8.527 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.814 -6.910 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.172 -9.005 -2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.526 -7.111 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.268 -9.590 -0.708 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.623 -7.693 -3.457 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.064 -9.426 -1.735 1.00 0.00 H new ATOM 148 N GLU A 9 -8.896 -4.831 -2.942 1.00 0.00 N ATOM 149 CA GLU A 9 -8.963 -3.374 -3.026 1.00 0.00 C ATOM 150 C GLU A 9 -7.747 -2.762 -2.326 1.00 0.00 C ATOM 151 O GLU A 9 -6.674 -2.675 -2.921 1.00 0.00 O ATOM 152 CB GLU A 9 -10.279 -2.814 -2.438 1.00 0.00 C ATOM 153 CG GLU A 9 -11.372 -3.847 -2.209 1.00 0.00 C ATOM 154 CD GLU A 9 -11.605 -4.139 -0.739 1.00 0.00 C ATOM 155 OE1 GLU A 9 -10.786 -4.868 -0.141 1.00 0.00 O ATOM 156 OE2 GLU A 9 -12.608 -3.640 -0.187 1.00 0.00 O ATOM 0 H GLU A 9 -9.249 -5.225 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.950 -3.097 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.057 -2.326 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.661 -2.045 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.301 -3.492 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.105 -4.772 -2.721 1.00 0.00 H new ATOM 163 N VAL A 10 -7.906 -2.351 -1.062 1.00 0.00 N ATOM 164 CA VAL A 10 -6.815 -1.749 -0.294 1.00 0.00 C ATOM 165 C VAL A 10 -5.967 -0.810 -1.167 1.00 0.00 C ATOM 166 O VAL A 10 -6.466 -0.249 -2.141 1.00 0.00 O ATOM 167 CB VAL A 10 -5.932 -2.831 0.383 1.00 0.00 C ATOM 168 CG1 VAL A 10 -6.803 -3.867 1.080 1.00 0.00 C ATOM 169 CG2 VAL A 10 -5.002 -3.512 -0.612 1.00 0.00 C ATOM 0 H VAL A 10 -8.785 -2.426 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.267 -1.150 0.496 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.311 -2.327 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.169 -4.619 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.411 -3.378 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.454 -4.347 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.403 -4.262 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.593 -3.994 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.344 -2.769 -1.062 1.00 0.00 H new ATOM 179 N GLU A 11 -4.704 -0.613 -0.798 1.00 0.00 N ATOM 180 CA GLU A 11 -3.820 0.265 -1.548 1.00 0.00 C ATOM 181 C GLU A 11 -2.451 -0.375 -1.719 1.00 0.00 C ATOM 182 O GLU A 11 -1.884 -0.914 -0.771 1.00 0.00 O ATOM 183 CB GLU A 11 -3.674 1.615 -0.844 1.00 0.00 C ATOM 184 CG GLU A 11 -4.978 2.152 -0.279 1.00 0.00 C ATOM 185 CD GLU A 11 -5.913 2.665 -1.358 1.00 0.00 C ATOM 186 OE1 GLU A 11 -5.548 2.586 -2.550 1.00 0.00 O ATOM 187 OE2 GLU A 11 -7.012 3.149 -1.010 1.00 0.00 O ATOM 0 H GLU A 11 -4.273 -1.051 0.016 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.262 0.427 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.951 1.517 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.267 2.340 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.477 1.364 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.761 2.958 0.422 1.00 0.00 H new ATOM 194 N ARG A 12 -1.919 -0.303 -2.929 1.00 0.00 N ATOM 195 CA ARG A 12 -0.608 -0.866 -3.214 1.00 0.00 C ATOM 196 C ARG A 12 0.456 -0.076 -2.484 1.00 0.00 C ATOM 197 O ARG A 12 1.156 0.718 -3.089 1.00 0.00 O ATOM 198 CB ARG A 12 -0.318 -0.846 -4.721 1.00 0.00 C ATOM 199 CG ARG A 12 -0.716 0.453 -5.406 1.00 0.00 C ATOM 200 CD ARG A 12 -1.966 0.284 -6.261 1.00 0.00 C ATOM 201 NE ARG A 12 -3.043 -0.400 -5.548 1.00 0.00 N ATOM 202 CZ ARG A 12 -4.236 0.140 -5.304 1.00 0.00 C ATOM 203 NH1 ARG A 12 -4.531 1.358 -5.741 1.00 0.00 N ATOM 204 NH2 ARG A 12 -5.140 -0.543 -4.619 1.00 0.00 N ATOM 0 H ARG A 12 -2.373 0.139 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.598 -1.901 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.747 -1.018 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.848 -1.673 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.892 1.221 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.107 0.801 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.315 1.264 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.714 -0.279 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.870 -1.349 -5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.841 1.891 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.448 1.761 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.922 -1.480 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.054 -0.132 -4.431 1.00 0.00 H new ATOM 218 N ILE A 13 0.561 -0.266 -1.174 1.00 0.00 N ATOM 219 CA ILE A 13 1.542 0.477 -0.396 1.00 0.00 C ATOM 220 C ILE A 13 1.232 1.979 -0.452 1.00 0.00 C ATOM 221 O ILE A 13 1.165 2.569 -1.529 1.00 0.00 O ATOM 222 CB ILE A 13 2.957 0.243 -0.945 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.303 -1.253 -0.992 1.00 0.00 C ATOM 224 CG2 ILE A 13 3.986 1.022 -0.136 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.949 -1.793 0.267 1.00 0.00 C ATOM 0 H ILE A 13 -0.011 -0.917 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 13 1.491 0.126 0.635 1.00 0.00 H new ATOM 0 HB ILE A 13 2.982 0.613 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.391 -1.817 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.973 -1.431 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.981 0.841 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.760 2.087 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.954 0.696 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.157 -2.856 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.881 -1.260 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.274 -1.652 1.111 1.00 0.00 H new ATOM 237 N VAL A 14 1.032 2.582 0.709 1.00 0.00 N ATOM 238 CA VAL A 14 0.715 4.007 0.797 1.00 0.00 C ATOM 239 C VAL A 14 1.955 4.864 1.072 1.00 0.00 C ATOM 240 O VAL A 14 1.875 6.092 1.066 1.00 0.00 O ATOM 241 CB VAL A 14 -0.356 4.271 1.893 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.125 3.371 3.088 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.374 5.725 2.348 1.00 0.00 C ATOM 0 H VAL A 14 1.083 2.108 1.611 1.00 0.00 H new ATOM 0 HA VAL A 14 0.317 4.296 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.325 4.049 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.884 3.569 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.188 2.329 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.863 3.566 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.139 5.857 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.600 5.990 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.597 6.370 1.498 1.00 0.00 H new ATOM 253 N ASP A 15 3.099 4.238 1.319 1.00 0.00 N ATOM 254 CA ASP A 15 4.303 4.995 1.605 1.00 0.00 C ATOM 255 C ASP A 15 5.508 4.081 1.671 1.00 0.00 C ATOM 256 O ASP A 15 5.382 2.861 1.628 1.00 0.00 O ATOM 257 CB ASP A 15 4.165 5.786 2.905 1.00 0.00 C ATOM 258 CG ASP A 15 4.885 7.119 2.850 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.951 7.716 1.754 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.386 7.565 3.903 1.00 0.00 O ATOM 0 H ASP A 15 3.215 3.225 1.327 1.00 0.00 H new ATOM 0 HA ASP A 15 4.448 5.705 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.109 5.955 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.562 5.195 3.730 1.00 0.00 H new ATOM 265 N GLU A 16 6.674 4.685 1.756 1.00 0.00 N ATOM 266 CA GLU A 16 7.901 3.928 1.811 1.00 0.00 C ATOM 267 C GLU A 16 8.944 4.643 2.661 1.00 0.00 C ATOM 268 O GLU A 16 9.005 5.872 2.710 1.00 0.00 O ATOM 269 CB GLU A 16 8.404 3.659 0.390 1.00 0.00 C ATOM 270 CG GLU A 16 7.759 4.572 -0.637 1.00 0.00 C ATOM 271 CD GLU A 16 8.190 6.019 -0.494 1.00 0.00 C ATOM 272 OE1 GLU A 16 9.405 6.290 -0.595 1.00 0.00 O ATOM 273 OE2 GLU A 16 7.312 6.882 -0.283 1.00 0.00 O ATOM 0 H GLU A 16 6.796 5.697 1.788 1.00 0.00 H new ATOM 0 HA GLU A 16 7.710 2.968 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.486 3.790 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.202 2.621 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.011 4.220 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.675 4.510 -0.541 1.00 0.00 H new ATOM 280 N LYS A 17 9.759 3.846 3.322 1.00 0.00 N ATOM 281 CA LYS A 17 10.811 4.326 4.185 1.00 0.00 C ATOM 282 C LYS A 17 12.146 3.746 3.765 1.00 0.00 C ATOM 283 O LYS A 17 12.363 2.517 3.820 1.00 0.00 O ATOM 284 CB LYS A 17 10.537 3.953 5.622 1.00 0.00 C ATOM 285 CG LYS A 17 9.819 5.046 6.374 1.00 0.00 C ATOM 286 CD LYS A 17 10.389 5.225 7.762 1.00 0.00 C ATOM 287 CE LYS A 17 9.316 5.100 8.830 1.00 0.00 C ATOM 288 NZ LYS A 17 8.344 6.226 8.774 1.00 0.00 N ATOM 0 H LYS A 17 9.705 2.829 3.271 1.00 0.00 H new ATOM 0 HA LYS A 17 10.844 5.412 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.938 3.043 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.479 3.730 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.899 5.983 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.758 4.806 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.164 4.479 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.865 6.203 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.786 4.156 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.784 5.073 9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.986 6.423 9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.816 7.074 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.550 5.969 8.153 1.00 0.00 H new ATOM 302 N LEU A 18 13.031 4.653 3.395 1.00 0.00 N ATOM 303 CA LEU A 18 14.375 4.311 2.986 1.00 0.00 C ATOM 304 C LEU A 18 15.365 4.758 4.050 1.00 0.00 C ATOM 305 O LEU A 18 15.023 5.533 4.942 1.00 0.00 O ATOM 306 CB LEU A 18 14.725 4.953 1.637 1.00 0.00 C ATOM 307 CG LEU A 18 13.567 5.095 0.642 1.00 0.00 C ATOM 308 CD1 LEU A 18 14.054 5.753 -0.643 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.946 3.735 0.349 1.00 0.00 C ATOM 0 H LEU A 18 12.833 5.653 3.371 1.00 0.00 H new ATOM 0 HA LEU A 18 14.432 3.229 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.141 5.943 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.511 4.361 1.168 1.00 0.00 H new ATOM 0 HG LEU A 18 12.801 5.730 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.222 5.848 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.453 6.742 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.836 5.140 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.126 3.854 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.701 3.075 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.566 3.301 1.274 1.00 0.00 H new ATOM 321 N ASP A 19 16.587 4.255 3.956 1.00 0.00 N ATOM 322 CA ASP A 19 17.625 4.593 4.922 1.00 0.00 C ATOM 323 C ASP A 19 18.647 5.568 4.326 1.00 0.00 C ATOM 324 O ASP A 19 18.427 6.135 3.257 1.00 0.00 O ATOM 325 CB ASP A 19 18.306 3.310 5.415 1.00 0.00 C ATOM 326 CG ASP A 19 19.142 2.637 4.342 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.042 3.046 3.164 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.898 1.702 4.679 1.00 0.00 O ATOM 0 H ASP A 19 16.885 3.612 3.222 1.00 0.00 H new ATOM 0 HA ASP A 19 17.162 5.096 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.941 3.546 6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.546 2.613 5.767 1.00 0.00 H new ATOM 333 N ARG A 20 19.759 5.759 5.033 1.00 0.00 N ATOM 334 CA ARG A 20 20.822 6.674 4.595 1.00 0.00 C ATOM 335 C ARG A 20 21.578 6.143 3.373 1.00 0.00 C ATOM 336 O ARG A 20 22.453 6.818 2.834 1.00 0.00 O ATOM 337 CB ARG A 20 21.808 6.911 5.739 1.00 0.00 C ATOM 338 CG ARG A 20 22.401 5.630 6.309 1.00 0.00 C ATOM 339 CD ARG A 20 22.668 5.756 7.796 1.00 0.00 C ATOM 340 NE ARG A 20 22.645 4.460 8.478 1.00 0.00 N ATOM 341 CZ ARG A 20 21.532 3.852 8.891 1.00 0.00 C ATOM 342 NH1 ARG A 20 20.345 4.408 8.682 1.00 0.00 N ATOM 343 NH2 ARG A 20 21.608 2.683 9.514 1.00 0.00 N ATOM 0 H ARG A 20 19.952 5.291 5.918 1.00 0.00 H new ATOM 0 HA ARG A 20 20.344 7.611 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.617 7.549 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.302 7.453 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.717 4.800 6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.330 5.395 5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.639 6.227 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.921 6.412 8.242 1.00 0.00 H new ATOM 0 HE ARG A 20 23.536 3.993 8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.280 5.306 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.498 3.937 9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.517 2.250 9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.757 2.217 9.830 1.00 0.00 H new ATOM 357 N ASN A 21 21.247 4.932 2.955 1.00 0.00 N ATOM 358 CA ASN A 21 21.893 4.307 1.821 1.00 0.00 C ATOM 359 C ASN A 21 20.976 4.287 0.604 1.00 0.00 C ATOM 360 O ASN A 21 21.402 3.955 -0.502 1.00 0.00 O ATOM 361 CB ASN A 21 22.271 2.880 2.191 1.00 0.00 C ATOM 362 CG ASN A 21 23.629 2.782 2.849 1.00 0.00 C ATOM 363 OD1 ASN A 21 24.634 3.236 2.304 1.00 0.00 O ATOM 364 ND2 ASN A 21 23.656 2.185 4.032 1.00 0.00 N ATOM 0 H ASN A 21 20.525 4.359 3.393 1.00 0.00 H new ATOM 0 HA ASN A 21 22.782 4.884 1.567 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.517 2.473 2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.263 2.263 1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.539 2.085 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.794 1.825 4.441 1.00 0.00 H new ATOM 371 N GLY A 22 19.705 4.599 0.824 1.00 0.00 N ATOM 372 CA GLY A 22 18.740 4.563 -0.251 1.00 0.00 C ATOM 373 C GLY A 22 18.125 3.182 -0.356 1.00 0.00 C ATOM 374 O GLY A 22 17.493 2.836 -1.355 1.00 0.00 O ATOM 0 H GLY A 22 19.328 4.876 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.960 5.304 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.223 4.827 -1.192 1.00 0.00 H new ATOM 378 N ALA A 23 18.322 2.399 0.703 1.00 0.00 N ATOM 379 CA ALA A 23 17.812 1.049 0.794 1.00 0.00 C ATOM 380 C ALA A 23 16.472 1.056 1.517 1.00 0.00 C ATOM 381 O ALA A 23 16.351 1.592 2.618 1.00 0.00 O ATOM 382 CB ALA A 23 18.826 0.170 1.515 1.00 0.00 C ATOM 0 H ALA A 23 18.847 2.695 1.526 1.00 0.00 H new ATOM 0 HA ALA A 23 17.656 0.641 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.442 -0.848 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.764 0.167 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.999 0.561 2.518 1.00 0.00 H new ATOM 388 N VAL A 24 15.473 0.469 0.886 1.00 0.00 N ATOM 389 CA VAL A 24 14.131 0.417 1.452 1.00 0.00 C ATOM 390 C VAL A 24 14.080 -0.490 2.675 1.00 0.00 C ATOM 391 O VAL A 24 14.328 -1.691 2.580 1.00 0.00 O ATOM 392 CB VAL A 24 13.119 -0.052 0.398 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.698 0.043 0.935 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.291 0.776 -0.868 1.00 0.00 C ATOM 0 H VAL A 24 15.563 0.018 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 24 13.865 1.425 1.769 1.00 0.00 H new ATOM 0 HB VAL A 24 13.304 -1.099 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.997 -0.294 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.601 -0.586 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.477 1.077 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.574 0.446 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.120 1.828 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.303 0.648 -1.252 1.00 0.00 H new ATOM 404 N LYS A 25 13.770 0.097 3.829 1.00 0.00 N ATOM 405 CA LYS A 25 13.716 -0.655 5.075 1.00 0.00 C ATOM 406 C LYS A 25 12.290 -0.947 5.534 1.00 0.00 C ATOM 407 O LYS A 25 12.062 -1.938 6.231 1.00 0.00 O ATOM 408 CB LYS A 25 14.477 0.094 6.175 1.00 0.00 C ATOM 409 CG LYS A 25 15.963 0.251 5.891 1.00 0.00 C ATOM 410 CD LYS A 25 16.747 -1.003 6.251 1.00 0.00 C ATOM 411 CE LYS A 25 16.723 -2.032 5.129 1.00 0.00 C ATOM 412 NZ LYS A 25 17.325 -1.507 3.873 1.00 0.00 N ATOM 0 H LYS A 25 13.553 1.089 3.924 1.00 0.00 H new ATOM 0 HA LYS A 25 14.190 -1.617 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.034 1.082 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.350 -0.437 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.108 0.479 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.353 1.097 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.779 -0.734 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.330 -1.444 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.264 -2.924 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.694 -2.335 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.036 -2.179 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.581 -1.384 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.779 -0.591 4.062 1.00 0.00 H new ATOM 426 N LEU A 26 11.325 -0.110 5.155 1.00 0.00 N ATOM 427 CA LEU A 26 9.937 -0.354 5.581 1.00 0.00 C ATOM 428 C LEU A 26 8.936 0.289 4.632 1.00 0.00 C ATOM 429 O LEU A 26 9.302 1.146 3.861 1.00 0.00 O ATOM 430 CB LEU A 26 9.727 0.200 6.994 1.00 0.00 C ATOM 431 CG LEU A 26 9.675 -0.847 8.108 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.098 -0.235 9.433 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.281 -1.443 8.221 1.00 0.00 C ATOM 0 H LEU A 26 11.464 0.717 4.574 1.00 0.00 H new ATOM 0 HA LEU A 26 9.769 -1.431 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.532 0.901 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.797 0.768 7.009 1.00 0.00 H new ATOM 0 HG LEU A 26 10.371 -1.647 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.055 -0.994 10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.117 0.143 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.426 0.585 9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.266 -2.185 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.565 -0.653 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.011 -1.919 7.278 1.00 0.00 H new ATOM 445 N TYR A 27 7.672 -0.141 4.667 1.00 0.00 N ATOM 446 CA TYR A 27 6.656 0.424 3.780 1.00 0.00 C ATOM 447 C TYR A 27 5.365 0.666 4.538 1.00 0.00 C ATOM 448 O TYR A 27 5.008 -0.089 5.432 1.00 0.00 O ATOM 449 CB TYR A 27 6.309 -0.526 2.631 1.00 0.00 C ATOM 450 CG TYR A 27 7.364 -0.703 1.568 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.560 0.253 0.586 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.129 -1.855 1.527 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.492 0.064 -0.415 1.00 0.00 C ATOM 454 CE2 TYR A 27 9.064 -2.058 0.539 1.00 0.00 C ATOM 455 CZ TYR A 27 9.245 -1.095 -0.436 1.00 0.00 C ATOM 456 OH TYR A 27 10.177 -1.290 -1.431 1.00 0.00 O ATOM 0 H TYR A 27 7.332 -0.871 5.293 1.00 0.00 H new ATOM 0 HA TYR A 27 7.075 1.352 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.081 -1.505 3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.398 -0.166 2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.975 1.161 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.989 -2.610 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.632 0.817 -1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.653 -2.963 0.525 1.00 0.00 H new ATOM 0 HH TYR A 27 10.620 -2.154 -1.299 1.00 0.00 H new ATOM 466 N ARG A 28 4.647 1.696 4.142 1.00 0.00 N ATOM 467 CA ARG A 28 3.371 2.011 4.749 1.00 0.00 C ATOM 468 C ARG A 28 2.265 1.489 3.855 1.00 0.00 C ATOM 469 O ARG A 28 2.219 1.829 2.668 1.00 0.00 O ATOM 470 CB ARG A 28 3.237 3.517 4.927 1.00 0.00 C ATOM 471 CG ARG A 28 2.060 3.951 5.780 1.00 0.00 C ATOM 472 CD ARG A 28 2.211 5.406 6.176 1.00 0.00 C ATOM 473 NE ARG A 28 1.400 5.756 7.336 1.00 0.00 N ATOM 474 CZ ARG A 28 0.081 5.925 7.285 1.00 0.00 C ATOM 475 NH1 ARG A 28 -0.569 5.757 6.141 1.00 0.00 N ATOM 476 NH2 ARG A 28 -0.591 6.259 8.377 1.00 0.00 N ATOM 0 H ARG A 28 4.928 2.333 3.397 1.00 0.00 H new ATOM 0 HA ARG A 28 3.301 1.541 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.154 3.899 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.146 3.979 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.130 3.811 5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.998 3.328 6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.259 5.613 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.929 6.039 5.335 1.00 0.00 H new ATOM 0 HE ARG A 28 1.868 5.878 8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.058 5.498 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.580 5.887 6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.097 6.387 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.602 6.388 8.334 1.00 0.00 H new ATOM 490 N ILE A 29 1.408 0.634 4.419 1.00 0.00 N ATOM 491 CA ILE A 29 0.319 0.023 3.654 1.00 0.00 C ATOM 492 C ILE A 29 -1.058 0.387 4.201 1.00 0.00 C ATOM 493 O ILE A 29 -1.402 0.035 5.328 1.00 0.00 O ATOM 494 CB ILE A 29 0.443 -1.512 3.653 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.880 -1.929 3.321 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.545 -2.120 2.667 1.00 0.00 C ATOM 497 CD1 ILE A 29 2.000 -3.312 2.714 1.00 0.00 C ATOM 0 H ILE A 29 1.447 0.350 5.398 1.00 0.00 H new ATOM 0 HA ILE A 29 0.409 0.415 2.641 1.00 0.00 H new ATOM 0 HB ILE A 29 0.203 -1.887 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.307 -1.203 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.477 -1.891 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.447 -3.206 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.560 -1.845 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.336 -1.745 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.048 -3.530 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.606 -4.051 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.433 -3.352 1.784 1.00 0.00 H new ATOM 509 N ARG A 30 -1.864 1.039 3.367 1.00 0.00 N ATOM 510 CA ARG A 30 -3.219 1.408 3.740 1.00 0.00 C ATOM 511 C ARG A 30 -4.180 0.283 3.373 1.00 0.00 C ATOM 512 O ARG A 30 -4.047 -0.340 2.320 1.00 0.00 O ATOM 513 CB ARG A 30 -3.630 2.706 3.038 1.00 0.00 C ATOM 514 CG ARG A 30 -4.662 3.528 3.801 1.00 0.00 C ATOM 515 CD ARG A 30 -4.272 3.724 5.259 1.00 0.00 C ATOM 516 NE ARG A 30 -4.436 5.110 5.686 1.00 0.00 N ATOM 517 CZ ARG A 30 -5.604 5.749 5.698 1.00 0.00 C ATOM 518 NH1 ARG A 30 -6.718 5.120 5.345 1.00 0.00 N ATOM 519 NH2 ARG A 30 -5.657 7.017 6.073 1.00 0.00 N ATOM 0 H ARG A 30 -1.597 1.322 2.424 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.257 1.571 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.741 3.317 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.031 2.463 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.776 4.501 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.631 3.032 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.882 3.076 5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.235 3.421 5.401 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.607 5.619 5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.683 4.141 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.609 5.616 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.804 7.502 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.550 7.509 6.083 1.00 0.00 H new ATOM 533 N TRP A 31 -5.141 0.021 4.249 1.00 0.00 N ATOM 534 CA TRP A 31 -6.128 -1.023 4.018 1.00 0.00 C ATOM 535 C TRP A 31 -7.222 -0.966 5.074 1.00 0.00 C ATOM 536 O TRP A 31 -8.409 -0.929 4.750 1.00 0.00 O ATOM 537 CB TRP A 31 -5.509 -2.430 3.959 1.00 0.00 C ATOM 538 CG TRP A 31 -4.182 -2.596 4.645 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.548 -1.706 5.448 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.335 -3.744 4.568 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.348 -2.227 5.873 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.199 -3.480 5.344 1.00 0.00 C ATOM 543 CE3 TRP A 31 -3.432 -4.971 3.910 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.164 -4.400 5.483 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -2.407 -5.883 4.047 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.285 -5.595 4.828 1.00 0.00 C ATOM 0 H TRP A 31 -5.257 0.521 5.131 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.563 -0.831 3.037 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.214 -3.134 4.400 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.392 -2.710 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.929 -0.731 5.715 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.679 -1.756 6.482 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.295 -5.202 3.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.296 -4.178 6.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.473 -6.836 3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.498 -6.330 4.916 1.00 0.00 H new ATOM 557 N LEU A 32 -6.817 -0.914 6.335 1.00 0.00 N ATOM 558 CA LEU A 32 -7.766 -0.806 7.436 1.00 0.00 C ATOM 559 C LEU A 32 -8.640 -2.048 7.583 1.00 0.00 C ATOM 560 O LEU A 32 -8.478 -2.818 8.531 1.00 0.00 O ATOM 561 CB LEU A 32 -8.640 0.439 7.226 1.00 0.00 C ATOM 562 CG LEU A 32 -9.708 0.695 8.287 1.00 0.00 C ATOM 563 CD1 LEU A 32 -10.906 -0.212 8.084 1.00 0.00 C ATOM 564 CD2 LEU A 32 -9.135 0.528 9.686 1.00 0.00 C ATOM 0 H LEU A 32 -5.839 -0.945 6.622 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.196 -0.716 8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.989 1.312 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.132 0.354 6.257 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.045 1.726 8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.651 -0.008 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.340 -0.028 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.590 -1.253 8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.915 0.716 10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.759 -0.488 9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.320 1.236 9.832 1.00 0.00 H new ATOM 576 N ASN A 33 -9.588 -2.227 6.665 1.00 0.00 N ATOM 577 CA ASN A 33 -10.523 -3.359 6.709 1.00 0.00 C ATOM 578 C ASN A 33 -9.876 -4.688 7.108 1.00 0.00 C ATOM 579 O ASN A 33 -10.444 -5.436 7.903 1.00 0.00 O ATOM 580 CB ASN A 33 -11.202 -3.533 5.346 1.00 0.00 C ATOM 581 CG ASN A 33 -11.883 -2.278 4.861 1.00 0.00 C ATOM 582 OD1 ASN A 33 -11.362 -1.173 4.997 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.067 -2.449 4.295 1.00 0.00 N ATOM 0 H ASN A 33 -9.733 -1.599 5.874 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.248 -3.111 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.457 -3.842 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.937 -4.336 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.588 -1.643 3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.458 -3.387 4.205 1.00 0.00 H new ATOM 590 N TYR A 34 -8.713 -5.002 6.541 1.00 0.00 N ATOM 591 CA TYR A 34 -8.045 -6.271 6.843 1.00 0.00 C ATOM 592 C TYR A 34 -7.981 -6.520 8.344 1.00 0.00 C ATOM 593 O TYR A 34 -8.739 -7.324 8.884 1.00 0.00 O ATOM 594 CB TYR A 34 -6.635 -6.303 6.254 1.00 0.00 C ATOM 595 CG TYR A 34 -6.594 -6.694 4.792 1.00 0.00 C ATOM 596 CD1 TYR A 34 -7.541 -6.215 3.897 1.00 0.00 C ATOM 597 CD2 TYR A 34 -5.610 -7.549 4.309 1.00 0.00 C ATOM 598 CE1 TYR A 34 -7.510 -6.576 2.564 1.00 0.00 C ATOM 599 CE2 TYR A 34 -5.573 -7.913 2.978 1.00 0.00 C ATOM 600 CZ TYR A 34 -6.524 -7.425 2.110 1.00 0.00 C ATOM 601 OH TYR A 34 -6.489 -7.786 0.782 1.00 0.00 O ATOM 0 H TYR A 34 -8.217 -4.406 5.878 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.637 -7.063 6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.180 -5.319 6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.028 -7.005 6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.315 -5.549 4.249 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.862 -7.935 4.986 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.255 -6.195 1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.801 -8.578 2.619 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.618 -8.183 0.574 1.00 0.00 H new ATOM 611 N SER A 35 -7.078 -5.817 9.009 1.00 0.00 N ATOM 612 CA SER A 35 -6.912 -5.954 10.444 1.00 0.00 C ATOM 613 C SER A 35 -7.652 -4.848 11.194 1.00 0.00 C ATOM 614 O SER A 35 -8.489 -4.147 10.625 1.00 0.00 O ATOM 615 CB SER A 35 -5.421 -5.934 10.791 1.00 0.00 C ATOM 616 OG SER A 35 -5.029 -4.684 11.334 1.00 0.00 O ATOM 0 H SER A 35 -6.447 -5.144 8.574 1.00 0.00 H new ATOM 0 HA SER A 35 -7.342 -6.906 10.755 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.202 -6.727 11.506 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.835 -6.142 9.896 1.00 0.00 H new ATOM 0 HG SER A 35 -4.072 -4.705 11.546 1.00 0.00 H new ATOM 622 N SER A 36 -7.333 -4.697 12.474 1.00 0.00 N ATOM 623 CA SER A 36 -7.952 -3.675 13.303 1.00 0.00 C ATOM 624 C SER A 36 -7.230 -2.342 13.108 1.00 0.00 C ATOM 625 O SER A 36 -6.651 -2.107 12.048 1.00 0.00 O ATOM 626 CB SER A 36 -7.923 -4.110 14.772 1.00 0.00 C ATOM 627 OG SER A 36 -6.593 -4.194 15.252 1.00 0.00 O ATOM 0 H SER A 36 -6.646 -5.273 12.960 1.00 0.00 H new ATOM 0 HA SER A 36 -8.993 -3.545 13.007 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.487 -3.399 15.376 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.413 -5.078 14.878 1.00 0.00 H new ATOM 0 HG SER A 36 -6.601 -4.472 16.192 1.00 0.00 H new ATOM 633 N ARG A 37 -7.257 -1.476 14.123 1.00 0.00 N ATOM 634 CA ARG A 37 -6.596 -0.167 14.051 1.00 0.00 C ATOM 635 C ARG A 37 -6.755 0.462 12.659 1.00 0.00 C ATOM 636 O ARG A 37 -7.731 0.179 11.964 1.00 0.00 O ATOM 637 CB ARG A 37 -5.113 -0.287 14.450 1.00 0.00 C ATOM 638 CG ARG A 37 -4.306 -1.278 13.621 1.00 0.00 C ATOM 639 CD ARG A 37 -3.139 -1.845 14.414 1.00 0.00 C ATOM 640 NE ARG A 37 -3.128 -3.308 14.381 1.00 0.00 N ATOM 641 CZ ARG A 37 -3.457 -4.084 15.411 1.00 0.00 C ATOM 642 NH1 ARG A 37 -3.792 -3.552 16.582 1.00 0.00 N ATOM 643 NH2 ARG A 37 -3.450 -5.403 15.270 1.00 0.00 N ATOM 0 H ARG A 37 -7.731 -1.657 15.008 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.083 0.499 14.763 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.649 0.696 14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.056 -0.581 15.498 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.953 -2.091 13.292 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.932 -0.785 12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.202 -1.464 14.007 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.200 -1.504 15.447 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.850 -3.763 13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.799 -2.539 16.699 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.042 -4.157 17.364 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.193 -5.819 14.375 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.701 -6.001 16.057 1.00 0.00 H new ATOM 657 N SER A 38 -5.813 1.314 12.254 1.00 0.00 N ATOM 658 CA SER A 38 -5.887 1.958 10.945 1.00 0.00 C ATOM 659 C SER A 38 -4.499 2.160 10.345 1.00 0.00 C ATOM 660 O SER A 38 -3.682 2.906 10.885 1.00 0.00 O ATOM 661 CB SER A 38 -6.609 3.306 11.050 1.00 0.00 C ATOM 662 OG SER A 38 -6.842 3.863 9.768 1.00 0.00 O ATOM 0 H SER A 38 -4.997 1.572 12.809 1.00 0.00 H new ATOM 0 HA SER A 38 -6.452 1.299 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.558 3.174 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.012 3.996 11.646 1.00 0.00 H new ATOM 0 HG SER A 38 -7.305 4.721 9.864 1.00 0.00 H new ATOM 668 N ASP A 39 -4.251 1.491 9.218 1.00 0.00 N ATOM 669 CA ASP A 39 -2.972 1.586 8.511 1.00 0.00 C ATOM 670 C ASP A 39 -1.804 1.185 9.407 1.00 0.00 C ATOM 671 O ASP A 39 -1.757 1.556 10.581 1.00 0.00 O ATOM 672 CB ASP A 39 -2.773 3.009 7.958 1.00 0.00 C ATOM 673 CG ASP A 39 -2.231 3.990 8.984 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.090 3.791 9.453 1.00 0.00 O ATOM 675 OD2 ASP A 39 -2.946 4.960 9.311 1.00 0.00 O ATOM 0 H ASP A 39 -4.927 0.871 8.771 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.997 0.885 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.089 2.968 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.726 3.380 7.581 1.00 0.00 H new ATOM 680 N THR A 40 -0.850 0.440 8.850 1.00 0.00 N ATOM 681 CA THR A 40 0.318 0.009 9.607 1.00 0.00 C ATOM 682 C THR A 40 1.545 -0.081 8.695 1.00 0.00 C ATOM 683 O THR A 40 1.454 0.152 7.482 1.00 0.00 O ATOM 684 CB THR A 40 0.051 -1.337 10.295 1.00 0.00 C ATOM 685 OG1 THR A 40 1.246 -2.072 10.470 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.916 -2.222 9.545 1.00 0.00 C ATOM 0 H THR A 40 -0.865 0.125 7.880 1.00 0.00 H new ATOM 0 HA THR A 40 0.520 0.751 10.380 1.00 0.00 H new ATOM 0 HB THR A 40 -0.392 -1.069 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.387 -2.657 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.055 -3.155 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.875 -1.713 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.517 -2.438 8.554 1.00 0.00 H new ATOM 694 N TRP A 41 2.696 -0.397 9.288 1.00 0.00 N ATOM 695 CA TRP A 41 3.946 -0.494 8.552 1.00 0.00 C ATOM 696 C TRP A 41 4.431 -1.944 8.460 1.00 0.00 C ATOM 697 O TRP A 41 4.349 -2.718 9.416 1.00 0.00 O ATOM 698 CB TRP A 41 5.003 0.402 9.209 1.00 0.00 C ATOM 699 CG TRP A 41 4.664 1.865 9.115 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.752 2.550 9.869 1.00 0.00 C ATOM 701 CD2 TRP A 41 5.221 2.820 8.200 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.709 3.868 9.477 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.601 4.056 8.456 1.00 0.00 C ATOM 704 CE3 TRP A 41 6.184 2.752 7.189 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.908 5.211 7.740 1.00 0.00 C ATOM 706 CZ3 TRP A 41 6.488 3.898 6.479 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.852 5.113 6.756 1.00 0.00 C ATOM 0 H TRP A 41 2.783 -0.591 10.286 1.00 0.00 H new ATOM 0 HA TRP A 41 3.776 -0.149 7.532 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.108 0.124 10.258 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.968 0.226 8.735 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.153 2.119 10.657 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.110 4.588 9.881 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.682 1.820 6.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.418 6.149 7.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.230 3.855 5.696 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.112 5.990 6.182 1.00 0.00 H new ATOM 718 N GLU A 42 4.942 -2.276 7.285 1.00 0.00 N ATOM 719 CA GLU A 42 5.457 -3.591 6.974 1.00 0.00 C ATOM 720 C GLU A 42 6.727 -3.455 6.149 1.00 0.00 C ATOM 721 O GLU A 42 6.719 -2.780 5.132 1.00 0.00 O ATOM 722 CB GLU A 42 4.444 -4.381 6.148 1.00 0.00 C ATOM 723 CG GLU A 42 3.050 -3.775 6.102 1.00 0.00 C ATOM 724 CD GLU A 42 2.060 -4.527 6.969 1.00 0.00 C ATOM 725 OE1 GLU A 42 1.549 -5.572 6.511 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.799 -4.079 8.105 1.00 0.00 O ATOM 0 H GLU A 42 5.010 -1.620 6.506 1.00 0.00 H new ATOM 0 HA GLU A 42 5.656 -4.111 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.819 -4.472 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.373 -5.390 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.098 -2.736 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.694 -3.769 5.072 1.00 0.00 H new ATOM 733 N PRO A 43 7.825 -4.109 6.539 1.00 0.00 N ATOM 734 CA PRO A 43 9.064 -4.038 5.772 1.00 0.00 C ATOM 735 C PRO A 43 8.841 -4.390 4.304 1.00 0.00 C ATOM 736 O PRO A 43 7.732 -4.726 3.896 1.00 0.00 O ATOM 737 CB PRO A 43 9.986 -5.063 6.431 1.00 0.00 C ATOM 738 CG PRO A 43 9.401 -5.324 7.781 1.00 0.00 C ATOM 739 CD PRO A 43 7.934 -4.981 7.711 1.00 0.00 C ATOM 0 HA PRO A 43 9.480 -3.030 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.037 -5.979 5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.003 -4.679 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.538 -6.368 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.901 -4.721 8.539 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.321 -5.875 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.600 -4.475 8.617 1.00 0.00 H new ATOM 747 N PRO A 44 9.912 -4.379 3.502 1.00 0.00 N ATOM 748 CA PRO A 44 9.853 -4.716 2.084 1.00 0.00 C ATOM 749 C PRO A 44 10.024 -6.203 1.842 1.00 0.00 C ATOM 750 O PRO A 44 9.406 -6.792 0.955 1.00 0.00 O ATOM 751 CB PRO A 44 11.050 -3.950 1.559 1.00 0.00 C ATOM 752 CG PRO A 44 12.054 -4.107 2.608 1.00 0.00 C ATOM 753 CD PRO A 44 11.295 -4.084 3.917 1.00 0.00 C ATOM 0 HA PRO A 44 8.901 -4.470 1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.398 -4.355 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.810 -2.900 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.599 -5.043 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.789 -3.303 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.674 -4.829 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.371 -3.115 4.411 1.00 0.00 H new ATOM 761 N GLU A 45 10.891 -6.785 2.634 1.00 0.00 N ATOM 762 CA GLU A 45 11.199 -8.215 2.549 1.00 0.00 C ATOM 763 C GLU A 45 9.932 -9.069 2.606 1.00 0.00 C ATOM 764 O GLU A 45 9.777 -10.006 1.823 1.00 0.00 O ATOM 765 CB GLU A 45 12.146 -8.627 3.676 1.00 0.00 C ATOM 766 CG GLU A 45 13.618 -8.472 3.327 1.00 0.00 C ATOM 767 CD GLU A 45 14.446 -9.673 3.745 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.104 -10.800 3.330 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.434 -9.487 4.486 1.00 0.00 O ATOM 0 H GLU A 45 11.410 -6.291 3.360 1.00 0.00 H new ATOM 0 HA GLU A 45 11.683 -8.386 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.927 -8.028 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.952 -9.667 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.719 -8.322 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.010 -7.578 3.812 1.00 0.00 H new ATOM 776 N ASN A 46 9.035 -8.749 3.530 1.00 0.00 N ATOM 777 CA ASN A 46 7.796 -9.494 3.678 1.00 0.00 C ATOM 778 C ASN A 46 6.975 -9.441 2.397 1.00 0.00 C ATOM 779 O ASN A 46 6.269 -10.392 2.057 1.00 0.00 O ATOM 780 CB ASN A 46 6.959 -8.929 4.820 1.00 0.00 C ATOM 781 CG ASN A 46 7.770 -8.517 6.026 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.958 -8.816 6.130 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.118 -7.820 6.945 1.00 0.00 N ATOM 0 H ASN A 46 9.145 -7.977 4.188 1.00 0.00 H new ATOM 0 HA ASN A 46 8.062 -10.528 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.402 -8.066 4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.226 -9.676 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.603 -7.506 7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.132 -7.597 6.812 1.00 0.00 H new ATOM 790 N LEU A 47 7.059 -8.308 1.707 1.00 0.00 N ATOM 791 CA LEU A 47 6.314 -8.110 0.472 1.00 0.00 C ATOM 792 C LEU A 47 6.649 -9.184 -0.557 1.00 0.00 C ATOM 793 O LEU A 47 5.887 -9.405 -1.499 1.00 0.00 O ATOM 794 CB LEU A 47 6.569 -6.722 -0.112 1.00 0.00 C ATOM 795 CG LEU A 47 6.754 -5.594 0.906 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.713 -4.246 0.216 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.692 -5.640 1.978 1.00 0.00 C ATOM 0 H LEU A 47 7.636 -7.514 1.984 1.00 0.00 H new ATOM 0 HA LEU A 47 5.255 -8.191 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.460 -6.770 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.734 -6.464 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 47 7.728 -5.734 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.846 -3.455 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.513 -4.191 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.751 -4.121 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.853 -4.826 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.708 -5.535 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.747 -6.593 2.504 1.00 0.00 H new ATOM 809 N SER A 48 7.776 -9.875 -0.369 1.00 0.00 N ATOM 810 CA SER A 48 8.155 -10.951 -1.282 1.00 0.00 C ATOM 811 C SER A 48 6.976 -11.914 -1.396 1.00 0.00 C ATOM 812 O SER A 48 6.725 -12.513 -2.442 1.00 0.00 O ATOM 813 CB SER A 48 9.402 -11.688 -0.771 1.00 0.00 C ATOM 814 OG SER A 48 9.082 -12.555 0.307 1.00 0.00 O ATOM 0 H SER A 48 8.432 -9.711 0.395 1.00 0.00 H new ATOM 0 HA SER A 48 8.399 -10.536 -2.260 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.846 -12.263 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.149 -10.963 -0.448 1.00 0.00 H new ATOM 0 HG SER A 48 9.185 -12.075 1.155 1.00 0.00 H new ATOM 820 N GLY A 49 6.243 -12.007 -0.291 1.00 0.00 N ATOM 821 CA GLY A 49 5.067 -12.844 -0.235 1.00 0.00 C ATOM 822 C GLY A 49 3.929 -12.228 -1.017 1.00 0.00 C ATOM 823 O GLY A 49 3.230 -12.919 -1.760 1.00 0.00 O ATOM 0 H GLY A 49 6.450 -11.509 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.298 -13.830 -0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.766 -12.986 0.803 1.00 0.00 H new ATOM 827 N CYS A 50 3.739 -10.921 -0.843 1.00 0.00 N ATOM 828 CA CYS A 50 2.679 -10.208 -1.538 1.00 0.00 C ATOM 829 C CYS A 50 2.737 -10.480 -3.034 1.00 0.00 C ATOM 830 O CYS A 50 1.864 -11.155 -3.581 1.00 0.00 O ATOM 831 CB CYS A 50 2.785 -8.703 -1.256 1.00 0.00 C ATOM 832 SG CYS A 50 1.548 -8.085 -0.092 1.00 0.00 S ATOM 0 H CYS A 50 4.306 -10.339 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 50 1.718 -10.566 -1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.779 -8.486 -0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.688 -8.160 -2.196 1.00 0.00 H new ATOM 0 HG CYS A 50 1.718 -6.808 0.085 1.00 0.00 H new ATOM 838 N SER A 51 3.762 -9.964 -3.698 1.00 0.00 N ATOM 839 CA SER A 51 3.972 -10.130 -5.140 1.00 0.00 C ATOM 840 C SER A 51 3.057 -9.222 -5.958 1.00 0.00 C ATOM 841 O SER A 51 3.540 -8.307 -6.634 1.00 0.00 O ATOM 842 CB SER A 51 3.791 -11.598 -5.558 1.00 0.00 C ATOM 843 OG SER A 51 2.484 -11.844 -6.050 1.00 0.00 O ATOM 0 H SER A 51 4.487 -9.407 -3.246 1.00 0.00 H new ATOM 0 HA SER A 51 5.000 -9.835 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.523 -11.851 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.987 -12.247 -4.704 1.00 0.00 H new ATOM 0 HG SER A 51 1.878 -12.014 -5.299 1.00 0.00 H new ATOM 849 N ALA A 52 1.749 -9.444 -5.908 1.00 0.00 N ATOM 850 CA ALA A 52 0.830 -8.609 -6.664 1.00 0.00 C ATOM 851 C ALA A 52 0.857 -7.197 -6.118 1.00 0.00 C ATOM 852 O ALA A 52 0.970 -6.225 -6.865 1.00 0.00 O ATOM 853 CB ALA A 52 -0.577 -9.178 -6.608 1.00 0.00 C ATOM 0 H ALA A 52 1.308 -10.183 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 52 1.144 -8.590 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.251 -8.540 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.581 -10.182 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.911 -9.222 -5.571 1.00 0.00 H new ATOM 859 N VAL A 53 0.752 -7.109 -4.802 1.00 0.00 N ATOM 860 CA VAL A 53 0.764 -5.838 -4.106 1.00 0.00 C ATOM 861 C VAL A 53 2.073 -5.111 -4.346 1.00 0.00 C ATOM 862 O VAL A 53 2.123 -3.882 -4.327 1.00 0.00 O ATOM 863 CB VAL A 53 0.555 -6.017 -2.589 1.00 0.00 C ATOM 864 CG1 VAL A 53 0.522 -4.675 -1.871 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.710 -6.811 -2.320 1.00 0.00 C ATOM 0 H VAL A 53 0.656 -7.918 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.062 -5.248 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 53 1.403 -6.576 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.373 -4.837 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.466 -4.154 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.297 -4.072 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.844 -6.929 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.567 -6.282 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.629 -7.793 -2.785 1.00 0.00 H new ATOM 875 N LEU A 54 3.138 -5.865 -4.583 1.00 0.00 N ATOM 876 CA LEU A 54 4.426 -5.260 -4.847 1.00 0.00 C ATOM 877 C LEU A 54 4.381 -4.610 -6.205 1.00 0.00 C ATOM 878 O LEU A 54 4.864 -3.494 -6.395 1.00 0.00 O ATOM 879 CB LEU A 54 5.542 -6.317 -4.833 1.00 0.00 C ATOM 880 CG LEU A 54 6.273 -6.511 -3.507 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.456 -7.450 -3.691 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.737 -5.172 -2.942 1.00 0.00 C ATOM 0 H LEU A 54 3.132 -6.885 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 54 4.638 -4.524 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.111 -7.273 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.276 -6.049 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 54 5.579 -6.957 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.969 -7.580 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.101 -8.417 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.147 -7.026 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.255 -5.336 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.415 -4.694 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.873 -4.528 -2.775 1.00 0.00 H new ATOM 894 N ALA A 55 3.778 -5.326 -7.141 1.00 0.00 N ATOM 895 CA ALA A 55 3.647 -4.849 -8.503 1.00 0.00 C ATOM 896 C ALA A 55 2.742 -3.625 -8.591 1.00 0.00 C ATOM 897 O ALA A 55 2.969 -2.739 -9.427 1.00 0.00 O ATOM 898 CB ALA A 55 3.126 -5.965 -9.397 1.00 0.00 C ATOM 0 H ALA A 55 3.370 -6.246 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 55 4.635 -4.545 -8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.030 -5.598 -10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.823 -6.803 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.151 -6.294 -9.037 1.00 0.00 H new ATOM 904 N GLU A 56 1.734 -3.542 -7.718 1.00 0.00 N ATOM 905 CA GLU A 56 0.855 -2.428 -7.732 1.00 0.00 C ATOM 906 C GLU A 56 1.603 -1.220 -7.186 1.00 0.00 C ATOM 907 O GLU A 56 1.587 -0.156 -7.789 1.00 0.00 O ATOM 908 CB GLU A 56 -0.424 -2.787 -6.975 1.00 0.00 C ATOM 909 CG GLU A 56 -0.194 -3.514 -5.692 1.00 0.00 C ATOM 910 CD GLU A 56 -1.505 -3.863 -5.001 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.234 -4.734 -5.520 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.801 -3.266 -3.945 1.00 0.00 O ATOM 0 H GLU A 56 1.528 -4.242 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 56 0.535 -2.164 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.978 -1.872 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.054 -3.401 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.369 -4.427 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.415 -2.899 -5.029 1.00 0.00 H new ATOM 919 N TRP A 57 2.288 -1.399 -6.052 1.00 0.00 N ATOM 920 CA TRP A 57 3.055 -0.304 -5.458 1.00 0.00 C ATOM 921 C TRP A 57 4.028 0.269 -6.467 1.00 0.00 C ATOM 922 O TRP A 57 3.999 1.462 -6.755 1.00 0.00 O ATOM 923 CB TRP A 57 3.840 -0.748 -4.222 1.00 0.00 C ATOM 924 CG TRP A 57 4.630 0.369 -3.566 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.906 0.291 -3.093 1.00 0.00 C ATOM 926 CD2 TRP A 57 4.206 1.728 -3.323 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.293 1.492 -2.576 1.00 0.00 N ATOM 928 CE2 TRP A 57 5.270 2.390 -2.705 1.00 0.00 C ATOM 929 CE3 TRP A 57 3.032 2.445 -3.562 1.00 0.00 C ATOM 930 CZ2 TRP A 57 5.196 3.724 -2.330 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.964 3.765 -3.186 1.00 0.00 C ATOM 932 CH2 TRP A 57 4.042 4.394 -2.576 1.00 0.00 C ATOM 0 H TRP A 57 2.326 -2.278 -5.535 1.00 0.00 H new ATOM 0 HA TRP A 57 2.331 0.453 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.146 -1.167 -3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.525 -1.547 -4.505 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.522 -0.595 -3.123 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.203 1.689 -2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.187 1.968 -4.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.033 4.215 -1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.057 4.323 -3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.960 5.433 -2.293 1.00 0.00 H new ATOM 943 N LYS A 58 4.904 -0.582 -7.000 1.00 0.00 N ATOM 944 CA LYS A 58 5.887 -0.125 -7.977 1.00 0.00 C ATOM 945 C LYS A 58 5.208 0.689 -9.073 1.00 0.00 C ATOM 946 O LYS A 58 5.603 1.815 -9.360 1.00 0.00 O ATOM 947 CB LYS A 58 6.688 -1.276 -8.571 1.00 0.00 C ATOM 948 CG LYS A 58 5.815 -2.371 -9.081 1.00 0.00 C ATOM 949 CD LYS A 58 6.572 -3.334 -9.982 1.00 0.00 C ATOM 950 CE LYS A 58 6.173 -3.167 -11.441 1.00 0.00 C ATOM 951 NZ LYS A 58 7.361 -2.972 -12.320 1.00 0.00 N ATOM 0 H LYS A 58 4.953 -1.576 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 58 6.596 0.515 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.309 -0.901 -9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.362 -1.675 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.393 -2.919 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.979 -1.940 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.644 -3.166 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.377 -4.359 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.618 -4.046 -11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.504 -2.312 -11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.049 -2.862 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.877 -2.119 -12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.987 -3.799 -12.245 1.00 0.00 H new ATOM 965 N ARG A 59 4.186 0.107 -9.689 1.00 0.00 N ATOM 966 CA ARG A 59 3.460 0.786 -10.751 1.00 0.00 C ATOM 967 C ARG A 59 2.903 2.129 -10.271 1.00 0.00 C ATOM 968 O ARG A 59 2.693 3.044 -11.066 1.00 0.00 O ATOM 969 CB ARG A 59 2.331 -0.107 -11.267 1.00 0.00 C ATOM 970 CG ARG A 59 2.816 -1.201 -12.205 1.00 0.00 C ATOM 971 CD ARG A 59 1.704 -1.686 -13.122 1.00 0.00 C ATOM 972 NE ARG A 59 1.124 -0.595 -13.904 1.00 0.00 N ATOM 973 CZ ARG A 59 1.317 -0.422 -15.212 1.00 0.00 C ATOM 974 NH1 ARG A 59 2.073 -1.265 -15.906 1.00 0.00 N ATOM 975 NH2 ARG A 59 0.748 0.604 -15.830 1.00 0.00 N ATOM 0 H ARG A 59 3.844 -0.829 -9.472 1.00 0.00 H new ATOM 0 HA ARG A 59 4.156 0.986 -11.566 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.821 -0.564 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.597 0.509 -11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.645 -0.826 -12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.198 -2.038 -11.621 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.096 -2.447 -13.797 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.924 -2.160 -12.526 1.00 0.00 H new ATOM 0 HE ARG A 59 0.533 0.078 -13.417 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.515 -2.057 -15.439 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.212 -1.120 -16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.166 1.257 -15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.893 0.741 -16.830 1.00 0.00 H new ATOM 989 N ARG A 60 2.638 2.224 -8.969 1.00 0.00 N ATOM 990 CA ARG A 60 2.067 3.431 -8.373 1.00 0.00 C ATOM 991 C ARG A 60 3.131 4.410 -7.882 1.00 0.00 C ATOM 992 O ARG A 60 2.881 5.615 -7.818 1.00 0.00 O ATOM 993 CB ARG A 60 1.140 3.046 -7.219 1.00 0.00 C ATOM 994 CG ARG A 60 -0.259 3.615 -7.362 1.00 0.00 C ATOM 995 CD ARG A 60 -0.908 3.147 -8.653 1.00 0.00 C ATOM 996 NE ARG A 60 -0.758 1.707 -8.844 1.00 0.00 N ATOM 997 CZ ARG A 60 -0.747 1.109 -10.033 1.00 0.00 C ATOM 998 NH1 ARG A 60 -0.861 1.821 -11.147 1.00 0.00 N ATOM 999 NH2 ARG A 60 -0.618 -0.207 -10.107 1.00 0.00 N ATOM 0 H ARG A 60 2.811 1.472 -8.302 1.00 0.00 H new ATOM 0 HA ARG A 60 1.504 3.941 -9.155 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.079 1.959 -7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.573 3.395 -6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.869 3.308 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.216 4.704 -7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.967 3.404 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.462 3.674 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.655 1.123 -8.014 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.958 2.835 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.852 1.354 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.527 -0.759 -9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.609 -0.668 -11.017 1.00 0.00 H new ATOM 1013 N LYS A 61 4.301 3.893 -7.522 1.00 0.00 N ATOM 1014 CA LYS A 61 5.404 4.733 -7.031 1.00 0.00 C ATOM 1015 C LYS A 61 5.504 6.024 -7.826 1.00 0.00 C ATOM 1016 O LYS A 61 5.745 7.097 -7.273 1.00 0.00 O ATOM 1017 CB LYS A 61 6.742 3.994 -7.145 1.00 0.00 C ATOM 1018 CG LYS A 61 6.907 2.830 -6.195 1.00 0.00 C ATOM 1019 CD LYS A 61 8.021 3.079 -5.189 1.00 0.00 C ATOM 1020 CE LYS A 61 9.375 3.134 -5.876 1.00 0.00 C ATOM 1021 NZ LYS A 61 9.580 1.981 -6.799 1.00 0.00 N ATOM 0 H LYS A 61 4.517 2.897 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 61 5.192 4.961 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.854 3.630 -8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.550 4.705 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.970 2.657 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.124 1.925 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.838 4.016 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.022 2.288 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.460 4.066 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.163 3.141 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.592 1.891 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.247 1.108 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.045 2.139 -7.677 1.00 0.00 H new ATOM 1035 N ARG A 62 5.269 5.895 -9.121 1.00 0.00 N ATOM 1036 CA ARG A 62 5.287 7.024 -10.054 1.00 0.00 C ATOM 1037 C ARG A 62 6.600 7.821 -10.016 1.00 0.00 C ATOM 1038 O ARG A 62 6.915 8.553 -10.954 1.00 0.00 O ATOM 1039 CB ARG A 62 4.106 7.948 -9.764 1.00 0.00 C ATOM 1040 CG ARG A 62 3.037 7.938 -10.844 1.00 0.00 C ATOM 1041 CD ARG A 62 1.809 8.722 -10.414 1.00 0.00 C ATOM 1042 NE ARG A 62 0.571 8.040 -10.781 1.00 0.00 N ATOM 1043 CZ ARG A 62 -0.317 8.512 -11.655 1.00 0.00 C ATOM 1044 NH1 ARG A 62 -0.113 9.673 -12.269 1.00 0.00 N ATOM 1045 NH2 ARG A 62 -1.413 7.816 -11.918 1.00 0.00 N ATOM 0 H ARG A 62 5.058 5.001 -9.564 1.00 0.00 H new ATOM 0 HA ARG A 62 5.206 6.608 -11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.654 7.657 -8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.475 8.966 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.441 8.365 -11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.754 6.910 -11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.834 8.873 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.829 9.710 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 62 0.373 7.142 -10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.730 10.212 -12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.800 10.025 -12.936 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.574 6.923 -11.452 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.096 8.173 -12.586 1.00 0.00 H new ATOM 1059 N ARG A 63 7.338 7.698 -8.925 1.00 0.00 N ATOM 1060 CA ARG A 63 8.595 8.413 -8.737 1.00 0.00 C ATOM 1061 C ARG A 63 9.797 7.512 -9.022 1.00 0.00 C ATOM 1062 O ARG A 63 10.935 7.868 -8.713 1.00 0.00 O ATOM 1063 CB ARG A 63 8.672 8.933 -7.298 1.00 0.00 C ATOM 1064 CG ARG A 63 9.067 10.397 -7.193 1.00 0.00 C ATOM 1065 CD ARG A 63 8.022 11.210 -6.444 1.00 0.00 C ATOM 1066 NE ARG A 63 7.866 10.775 -5.057 1.00 0.00 N ATOM 1067 CZ ARG A 63 7.094 11.402 -4.172 1.00 0.00 C ATOM 1068 NH1 ARG A 63 6.433 12.498 -4.519 1.00 0.00 N ATOM 1069 NH2 ARG A 63 6.982 10.932 -2.938 1.00 0.00 N ATOM 0 H ARG A 63 7.083 7.098 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 63 8.624 9.246 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.703 8.793 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.392 8.332 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.026 10.479 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.201 10.810 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.303 12.263 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.064 11.127 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 63 8.376 9.946 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.515 12.864 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.843 12.975 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.488 10.089 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.390 11.413 -2.261 1.00 0.00 H new ATOM 1083 N LEU A 64 9.541 6.327 -9.567 1.00 0.00 N ATOM 1084 CA LEU A 64 10.604 5.372 -9.849 1.00 0.00 C ATOM 1085 C LEU A 64 11.512 5.858 -10.986 1.00 0.00 C ATOM 1086 O LEU A 64 11.434 7.013 -11.404 1.00 0.00 O ATOM 1087 CB LEU A 64 10.013 3.986 -10.160 1.00 0.00 C ATOM 1088 CG LEU A 64 8.806 3.976 -11.101 1.00 0.00 C ATOM 1089 CD1 LEU A 64 7.507 4.049 -10.319 1.00 0.00 C ATOM 1090 CD2 LEU A 64 8.900 5.125 -12.080 1.00 0.00 C ATOM 0 H LEU A 64 8.607 6.006 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 64 11.225 5.287 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.796 3.367 -10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.722 3.516 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 64 8.812 3.038 -11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.665 4.040 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.436 3.191 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.486 4.968 -9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.036 5.108 -12.745 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.919 6.068 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.812 5.028 -12.668 1.00 0.00 H new ATOM 1102 N LYS A 65 12.393 4.978 -11.460 1.00 0.00 N ATOM 1103 CA LYS A 65 13.335 5.325 -12.510 1.00 0.00 C ATOM 1104 C LYS A 65 12.758 5.144 -13.918 1.00 0.00 C ATOM 1105 O LYS A 65 13.269 4.350 -14.708 1.00 0.00 O ATOM 1106 CB LYS A 65 14.593 4.480 -12.340 1.00 0.00 C ATOM 1107 CG LYS A 65 15.298 4.722 -11.017 1.00 0.00 C ATOM 1108 CD LYS A 65 14.741 3.819 -9.922 1.00 0.00 C ATOM 1109 CE LYS A 65 13.746 4.542 -9.022 1.00 0.00 C ATOM 1110 NZ LYS A 65 14.198 5.915 -8.663 1.00 0.00 N ATOM 0 H LYS A 65 12.470 4.017 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 65 13.568 6.385 -12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.328 3.425 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.282 4.696 -13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.367 4.541 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.182 5.766 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.254 2.957 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.563 3.437 -9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.781 4.600 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.596 3.962 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.812 6.176 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.237 5.940 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.861 6.590 -9.379 1.00 0.00 H new ATOM 1124 N GLY A 66 11.725 5.921 -14.242 1.00 0.00 N ATOM 1125 CA GLY A 66 11.129 5.859 -15.570 1.00 0.00 C ATOM 1126 C GLY A 66 9.814 5.105 -15.605 1.00 0.00 C ATOM 1127 O GLY A 66 9.794 3.886 -15.788 1.00 0.00 O ATOM 0 H GLY A 66 11.290 6.592 -13.609 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.968 6.873 -15.935 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.831 5.382 -16.253 1.00 0.00 H new ATOM 1131 N SER A 67 8.712 5.836 -15.446 1.00 0.00 N ATOM 1132 CA SER A 67 7.382 5.232 -15.468 1.00 0.00 C ATOM 1133 C SER A 67 6.683 5.486 -16.801 1.00 0.00 C ATOM 1134 O SER A 67 6.982 6.457 -17.496 1.00 0.00 O ATOM 1135 CB SER A 67 6.523 5.786 -14.329 1.00 0.00 C ATOM 1136 OG SER A 67 5.623 4.804 -13.849 1.00 0.00 O ATOM 0 H SER A 67 8.714 6.846 -15.301 1.00 0.00 H new ATOM 0 HA SER A 67 7.506 4.157 -15.338 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.165 6.125 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.966 6.655 -14.678 1.00 0.00 H new ATOM 0 HG SER A 67 5.086 5.180 -13.121 1.00 0.00 H new ATOM 1142 N ASN A 68 5.746 4.608 -17.147 1.00 0.00 N ATOM 1143 CA ASN A 68 4.995 4.739 -18.392 1.00 0.00 C ATOM 1144 C ASN A 68 3.834 3.749 -18.439 1.00 0.00 C ATOM 1145 O ASN A 68 4.038 2.545 -18.594 1.00 0.00 O ATOM 1146 CB ASN A 68 5.908 4.527 -19.601 1.00 0.00 C ATOM 1147 CG ASN A 68 5.243 4.936 -20.901 1.00 0.00 C ATOM 1148 OD1 ASN A 68 5.237 4.182 -21.874 1.00 0.00 O ATOM 1149 ND2 ASN A 68 4.676 6.138 -20.926 1.00 0.00 N ATOM 0 H ASN A 68 5.489 3.798 -16.583 1.00 0.00 H new ATOM 0 HA ASN A 68 4.590 5.750 -18.429 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.824 5.102 -19.467 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.196 3.477 -19.657 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.214 6.466 -21.774 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.703 6.732 -20.097 1.00 0.00 H new ATOM 1156 N SER A 69 2.617 4.267 -18.306 1.00 0.00 N ATOM 1157 CA SER A 69 1.420 3.433 -18.334 1.00 0.00 C ATOM 1158 C SER A 69 0.986 3.148 -19.769 1.00 0.00 C ATOM 1159 O SER A 69 0.927 4.104 -20.570 1.00 0.00 O ATOM 1160 CB SER A 69 0.283 4.116 -17.567 1.00 0.00 C ATOM 1161 OG SER A 69 -0.926 3.372 -17.649 1.00 0.00 O ATOM 1162 OXT SER A 69 0.708 1.970 -20.079 1.00 0.00 O ATOM 0 H SER A 69 2.433 5.262 -18.178 1.00 0.00 H new ATOM 0 HA SER A 69 1.656 2.484 -17.853 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.568 4.234 -16.522 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.123 5.117 -17.968 1.00 0.00 H new ATOM 0 HG SER A 69 -1.630 3.835 -17.148 1.00 0.00 H new TER 1168 SER A 69