USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 501 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 51 ASN : amide:sc=-0.00622 X(o=-0.0066,f=-0.0023) USER MOD Set 1.2: A 52 HIS : no HD1:sc=-0.00034 X(o=-0.0066,f=-0.0023) USER MOD Set 2.1: A 41 TYR OH : rot 180:sc=-0.00575 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -145:sc= 0.0518 (180deg=0) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= -0.132 (180deg=-0.875) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0327) USER MOD Single : A 10 MET CE :methyl -177:sc= 0 (180deg=-0.0023) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot -75:sc=0.000876 USER MOD Single : A 21 CYS SG : rot 74:sc= -0.112 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.051) USER MOD Single : A 24 ASN : amide:sc= -0.119 K(o=-0.12,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0176 (180deg=-0.155) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.505 -14.317 8.589 1.00 0.00 N ATOM 2 CA MET A 1 34.996 -13.077 9.240 1.00 0.00 C ATOM 3 C MET A 1 34.464 -11.883 8.506 1.00 0.00 C ATOM 4 O MET A 1 33.641 -11.141 9.041 1.00 0.00 O ATOM 5 CB MET A 1 36.546 -13.068 9.299 1.00 0.00 C ATOM 6 CG MET A 1 37.161 -11.836 9.998 1.00 0.00 C ATOM 7 SD MET A 1 36.592 -11.536 11.706 1.00 0.00 S ATOM 8 CE MET A 1 37.343 -12.996 12.487 1.00 0.00 C ATOM 0 H1 MET A 1 34.874 -15.146 9.098 1.00 0.00 H new ATOM 0 H2 MET A 1 33.465 -14.332 8.610 1.00 0.00 H new ATOM 0 H3 MET A 1 34.831 -14.343 7.602 1.00 0.00 H new ATOM 0 HA MET A 1 34.634 -13.039 10.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 36.881 -13.967 9.817 1.00 0.00 H new ATOM 0 HB3 MET A 1 36.934 -13.123 8.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 38.245 -11.950 10.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 36.940 -10.952 9.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 37.263 -12.910 13.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 36.823 -13.894 12.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 38.394 -13.060 12.205 1.00 0.00 H new ATOM 20 N LEU A 2 34.910 -11.685 7.239 1.00 0.00 N ATOM 21 CA LEU A 2 34.461 -10.612 6.381 1.00 0.00 C ATOM 22 C LEU A 2 33.201 -11.073 5.694 1.00 0.00 C ATOM 23 O LEU A 2 32.712 -12.176 5.941 1.00 0.00 O ATOM 24 CB LEU A 2 35.541 -10.216 5.336 1.00 0.00 C ATOM 25 CG LEU A 2 35.925 -8.714 5.336 1.00 0.00 C ATOM 26 CD1 LEU A 2 37.228 -8.484 4.546 1.00 0.00 C ATOM 27 CD2 LEU A 2 34.811 -7.777 4.828 1.00 0.00 C ATOM 0 H LEU A 2 35.604 -12.289 6.798 1.00 0.00 H new ATOM 0 HA LEU A 2 34.271 -9.722 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 2 36.439 -10.806 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 2 35.181 -10.485 4.343 1.00 0.00 H new ATOM 0 HG LEU A 2 36.080 -8.451 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 2 37.479 -7.423 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 2 38.037 -9.054 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 2 37.091 -8.812 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 2 35.161 -6.745 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 2 34.553 -8.041 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 2 33.930 -7.882 5.462 1.00 0.00 H new ATOM 39 N LYS A 3 32.640 -10.213 4.813 1.00 0.00 N ATOM 40 CA LYS A 3 31.438 -10.503 4.075 1.00 0.00 C ATOM 41 C LYS A 3 31.847 -11.146 2.783 1.00 0.00 C ATOM 42 O LYS A 3 32.052 -10.484 1.767 1.00 0.00 O ATOM 43 CB LYS A 3 30.572 -9.247 3.810 1.00 0.00 C ATOM 44 CG LYS A 3 29.237 -9.504 3.079 1.00 0.00 C ATOM 45 CD LYS A 3 28.289 -10.554 3.697 1.00 0.00 C ATOM 46 CE LYS A 3 27.640 -10.166 5.039 1.00 0.00 C ATOM 47 NZ LYS A 3 28.572 -10.294 6.185 1.00 0.00 N ATOM 0 H LYS A 3 33.031 -9.294 4.609 1.00 0.00 H new ATOM 0 HA LYS A 3 30.812 -11.170 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 3 30.357 -8.767 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.158 -8.540 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 3 28.699 -8.558 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.464 -9.812 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 3 27.496 -10.766 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.847 -11.480 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 3 27.282 -9.138 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 3 26.769 -10.798 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 28.032 -10.492 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 29.237 -11.073 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 29.102 -9.407 6.303 1.00 0.00 H new ATOM 61 N ASP A 4 31.981 -12.487 2.832 1.00 0.00 N ATOM 62 CA ASP A 4 32.261 -13.321 1.698 1.00 0.00 C ATOM 63 C ASP A 4 31.471 -14.558 1.992 1.00 0.00 C ATOM 64 O ASP A 4 31.313 -14.937 3.152 1.00 0.00 O ATOM 65 CB ASP A 4 33.750 -13.731 1.554 1.00 0.00 C ATOM 66 CG ASP A 4 34.616 -12.505 1.265 1.00 0.00 C ATOM 67 OD1 ASP A 4 35.476 -12.169 2.123 1.00 0.00 O ATOM 68 OD2 ASP A 4 34.428 -11.891 0.181 1.00 0.00 O ATOM 0 H ASP A 4 31.890 -13.014 3.701 1.00 0.00 H new ATOM 0 HA ASP A 4 32.016 -12.795 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 4 34.090 -14.217 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 4 33.857 -14.458 0.749 1.00 0.00 H new ATOM 73 N TYR A 5 30.944 -15.210 0.934 1.00 0.00 N ATOM 74 CA TYR A 5 30.203 -16.439 1.060 1.00 0.00 C ATOM 75 C TYR A 5 30.987 -17.436 0.262 1.00 0.00 C ATOM 76 O TYR A 5 32.194 -17.590 0.446 1.00 0.00 O ATOM 77 CB TYR A 5 28.746 -16.327 0.550 1.00 0.00 C ATOM 78 CG TYR A 5 27.948 -15.386 1.410 1.00 0.00 C ATOM 79 CD1 TYR A 5 27.566 -14.119 0.935 1.00 0.00 C ATOM 80 CD2 TYR A 5 27.536 -15.784 2.693 1.00 0.00 C ATOM 81 CE1 TYR A 5 26.771 -13.275 1.720 1.00 0.00 C ATOM 82 CE2 TYR A 5 26.745 -14.942 3.482 1.00 0.00 C ATOM 83 CZ TYR A 5 26.353 -13.688 2.993 1.00 0.00 C ATOM 84 OH TYR A 5 25.531 -12.851 3.778 1.00 0.00 O ATOM 0 H TYR A 5 31.033 -14.880 -0.027 1.00 0.00 H new ATOM 0 HA TYR A 5 30.097 -16.726 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 5 28.743 -15.974 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 5 28.279 -17.312 0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 5 27.888 -13.794 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 5 27.833 -16.750 3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 5 26.480 -12.305 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 5 26.436 -15.258 4.468 1.00 0.00 H new ATOM 0 HH TYR A 5 25.335 -13.292 4.631 1.00 0.00 H new ATOM 94 N HIS A 6 30.296 -18.117 -0.673 1.00 0.00 N ATOM 95 CA HIS A 6 30.861 -18.986 -1.672 1.00 0.00 C ATOM 96 C HIS A 6 31.401 -18.151 -2.803 1.00 0.00 C ATOM 97 O HIS A 6 32.182 -18.635 -3.621 1.00 0.00 O ATOM 98 CB HIS A 6 29.805 -19.941 -2.259 1.00 0.00 C ATOM 99 CG HIS A 6 29.302 -20.962 -1.273 1.00 0.00 C ATOM 100 ND1 HIS A 6 28.411 -20.670 -0.274 1.00 0.00 N ATOM 101 CD2 HIS A 6 29.614 -22.275 -1.155 1.00 0.00 C ATOM 102 CE1 HIS A 6 28.190 -21.774 0.426 1.00 0.00 C ATOM 103 NE2 HIS A 6 28.908 -22.763 -0.088 1.00 0.00 N ATOM 0 H HIS A 6 29.280 -18.059 -0.738 1.00 0.00 H new ATOM 0 HA HIS A 6 31.646 -19.573 -1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 6 28.962 -19.356 -2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 6 30.232 -20.458 -3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 6 30.292 -22.832 -1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 6 27.531 -21.855 1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 6 28.931 -23.724 0.253 1.00 0.00 H new ATOM 112 N LEU A 7 30.991 -16.859 -2.856 1.00 0.00 N ATOM 113 CA LEU A 7 31.381 -15.914 -3.867 1.00 0.00 C ATOM 114 C LEU A 7 32.798 -15.485 -3.608 1.00 0.00 C ATOM 115 O LEU A 7 33.218 -15.381 -2.456 1.00 0.00 O ATOM 116 CB LEU A 7 30.496 -14.642 -3.859 1.00 0.00 C ATOM 117 CG LEU A 7 28.973 -14.917 -3.915 1.00 0.00 C ATOM 118 CD1 LEU A 7 28.175 -13.604 -3.796 1.00 0.00 C ATOM 119 CD2 LEU A 7 28.555 -15.711 -5.167 1.00 0.00 C ATOM 0 H LEU A 7 30.360 -16.459 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 7 31.271 -16.407 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 7 30.716 -14.068 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 7 30.771 -14.018 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 7 28.735 -15.547 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 7 27.108 -13.822 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 7 28.410 -13.120 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 7 28.442 -12.940 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 7 27.477 -15.874 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.824 -15.149 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 7 29.067 -16.673 -5.175 1.00 0.00 H new ATOM 131 N LYS A 8 33.564 -15.249 -4.696 1.00 0.00 N ATOM 132 CA LYS A 8 34.943 -14.852 -4.606 1.00 0.00 C ATOM 133 C LYS A 8 35.124 -13.747 -5.598 1.00 0.00 C ATOM 134 O LYS A 8 34.734 -13.870 -6.758 1.00 0.00 O ATOM 135 CB LYS A 8 35.923 -16.010 -4.931 1.00 0.00 C ATOM 136 CG LYS A 8 37.420 -15.656 -4.829 1.00 0.00 C ATOM 137 CD LYS A 8 37.871 -15.209 -3.426 1.00 0.00 C ATOM 138 CE LYS A 8 39.358 -14.832 -3.343 1.00 0.00 C ATOM 139 NZ LYS A 8 40.231 -15.993 -3.632 1.00 0.00 N ATOM 0 H LYS A 8 33.221 -15.335 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 8 35.168 -14.542 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 8 35.716 -16.839 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 8 35.719 -16.364 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 8 38.008 -16.524 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 8 37.643 -14.860 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 8 37.271 -14.353 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 8 37.669 -16.012 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 8 39.571 -14.031 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 8 39.581 -14.447 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 41.225 -15.725 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 39.986 -16.778 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 40.096 -16.292 -4.619 1.00 0.00 H new ATOM 153 N GLU A 9 35.722 -12.626 -5.136 1.00 0.00 N ATOM 154 CA GLU A 9 36.009 -11.472 -5.931 1.00 0.00 C ATOM 155 C GLU A 9 37.404 -11.067 -5.565 1.00 0.00 C ATOM 156 O GLU A 9 38.027 -11.685 -4.701 1.00 0.00 O ATOM 157 CB GLU A 9 34.989 -10.331 -5.702 1.00 0.00 C ATOM 158 CG GLU A 9 35.115 -9.529 -4.390 1.00 0.00 C ATOM 159 CD GLU A 9 34.888 -10.396 -3.151 1.00 0.00 C ATOM 160 OE1 GLU A 9 35.844 -10.527 -2.341 1.00 0.00 O ATOM 161 OE2 GLU A 9 33.761 -10.939 -3.004 1.00 0.00 O ATOM 0 H GLU A 9 36.017 -12.524 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 9 35.929 -11.697 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 9 35.070 -9.632 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 9 33.988 -10.759 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 9 36.106 -9.078 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 9 34.393 -8.713 -4.396 1.00 0.00 H new ATOM 168 N MET A 10 37.933 -10.008 -6.220 1.00 0.00 N ATOM 169 CA MET A 10 39.187 -9.416 -5.869 1.00 0.00 C ATOM 170 C MET A 10 38.812 -8.145 -5.134 1.00 0.00 C ATOM 171 O MET A 10 38.169 -7.298 -5.754 1.00 0.00 O ATOM 172 CB MET A 10 40.022 -9.084 -7.126 1.00 0.00 C ATOM 173 CG MET A 10 41.317 -8.313 -6.829 1.00 0.00 C ATOM 174 SD MET A 10 42.478 -9.163 -5.715 1.00 0.00 S ATOM 175 CE MET A 10 43.613 -7.754 -5.551 1.00 0.00 C ATOM 0 H MET A 10 37.475 -9.556 -7.011 1.00 0.00 H new ATOM 0 HA MET A 10 39.799 -10.087 -5.267 1.00 0.00 H new ATOM 0 HB2 MET A 10 40.273 -10.013 -7.639 1.00 0.00 H new ATOM 0 HB3 MET A 10 39.411 -8.497 -7.811 1.00 0.00 H new ATOM 0 HG2 MET A 10 41.825 -8.108 -7.772 1.00 0.00 H new ATOM 0 HG3 MET A 10 41.056 -7.349 -6.392 1.00 0.00 H new ATOM 0 HE1 MET A 10 44.467 -8.044 -4.938 1.00 0.00 H new ATOM 0 HE2 MET A 10 43.961 -7.450 -6.538 1.00 0.00 H new ATOM 0 HE3 MET A 10 43.093 -6.921 -5.078 1.00 0.00 H new ATOM 185 N PRO A 11 39.138 -7.940 -3.853 1.00 0.00 N ATOM 186 CA PRO A 11 38.651 -6.791 -3.099 1.00 0.00 C ATOM 187 C PRO A 11 39.292 -5.488 -3.515 1.00 0.00 C ATOM 188 O PRO A 11 38.635 -4.459 -3.362 1.00 0.00 O ATOM 189 CB PRO A 11 38.984 -7.110 -1.628 1.00 0.00 C ATOM 190 CG PRO A 11 39.990 -8.264 -1.686 1.00 0.00 C ATOM 191 CD PRO A 11 39.564 -9.005 -2.948 1.00 0.00 C ATOM 0 HA PRO A 11 37.585 -6.646 -3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 11 39.409 -6.242 -1.123 1.00 0.00 H new ATOM 0 HB3 PRO A 11 38.089 -7.395 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 11 41.017 -7.905 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 11 39.931 -8.899 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 11 40.387 -9.582 -3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.754 -9.706 -2.746 1.00 0.00 H new ATOM 199 N GLU A 12 40.560 -5.511 -4.001 1.00 0.00 N ATOM 200 CA GLU A 12 41.313 -4.355 -4.450 1.00 0.00 C ATOM 201 C GLU A 12 41.497 -3.336 -3.351 1.00 0.00 C ATOM 202 O GLU A 12 40.889 -2.266 -3.372 1.00 0.00 O ATOM 203 CB GLU A 12 40.753 -3.666 -5.724 1.00 0.00 C ATOM 204 CG GLU A 12 40.648 -4.613 -6.931 1.00 0.00 C ATOM 205 CD GLU A 12 40.146 -3.849 -8.155 1.00 0.00 C ATOM 206 OE1 GLU A 12 39.044 -4.193 -8.659 1.00 0.00 O ATOM 207 OE2 GLU A 12 40.863 -2.915 -8.605 1.00 0.00 O ATOM 0 H GLU A 12 41.089 -6.379 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 12 42.283 -4.767 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 12 39.766 -3.258 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 12 41.395 -2.825 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 12 41.622 -5.055 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 39.969 -5.434 -6.701 1.00 0.00 H new ATOM 214 N MET A 13 42.355 -3.663 -2.356 1.00 0.00 N ATOM 215 CA MET A 13 42.627 -2.803 -1.228 1.00 0.00 C ATOM 216 C MET A 13 43.792 -1.923 -1.590 1.00 0.00 C ATOM 217 O MET A 13 44.652 -2.316 -2.379 1.00 0.00 O ATOM 218 CB MET A 13 42.958 -3.593 0.056 1.00 0.00 C ATOM 219 CG MET A 13 41.794 -4.489 0.515 1.00 0.00 C ATOM 220 SD MET A 13 42.123 -5.380 2.067 1.00 0.00 S ATOM 221 CE MET A 13 40.527 -6.248 2.112 1.00 0.00 C ATOM 0 H MET A 13 42.871 -4.542 -2.333 1.00 0.00 H new ATOM 0 HA MET A 13 41.732 -2.219 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 13 43.840 -4.210 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 13 43.210 -2.894 0.854 1.00 0.00 H new ATOM 0 HG2 MET A 13 40.903 -3.875 0.641 1.00 0.00 H new ATOM 0 HG3 MET A 13 41.574 -5.213 -0.269 1.00 0.00 H new ATOM 0 HE1 MET A 13 40.481 -6.880 2.999 1.00 0.00 H new ATOM 0 HE2 MET A 13 39.717 -5.519 2.144 1.00 0.00 H new ATOM 0 HE3 MET A 13 40.424 -6.866 1.220 1.00 0.00 H new ATOM 231 N GLU A 14 43.809 -0.681 -1.053 1.00 0.00 N ATOM 232 CA GLU A 14 44.680 0.345 -1.569 1.00 0.00 C ATOM 233 C GLU A 14 44.859 1.431 -0.557 1.00 0.00 C ATOM 234 O GLU A 14 45.842 2.167 -0.599 1.00 0.00 O ATOM 235 CB GLU A 14 44.083 0.987 -2.845 1.00 0.00 C ATOM 236 CG GLU A 14 42.743 1.730 -2.641 1.00 0.00 C ATOM 237 CD GLU A 14 42.172 2.150 -3.995 1.00 0.00 C ATOM 238 OE1 GLU A 14 42.826 2.973 -4.688 1.00 0.00 O ATOM 239 OE2 GLU A 14 41.072 1.652 -4.354 1.00 0.00 O ATOM 0 H GLU A 14 43.226 -0.388 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 14 45.635 -0.126 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 14 44.810 1.688 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 14 43.937 0.206 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 14 42.034 1.085 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 14 42.895 2.607 -2.012 1.00 0.00 H new ATOM 246 N ASP A 15 43.898 1.560 0.383 1.00 0.00 N ATOM 247 CA ASP A 15 43.968 2.521 1.459 1.00 0.00 C ATOM 248 C ASP A 15 44.714 1.893 2.614 1.00 0.00 C ATOM 249 O ASP A 15 45.288 2.579 3.461 1.00 0.00 O ATOM 250 CB ASP A 15 42.590 3.096 1.878 1.00 0.00 C ATOM 251 CG ASP A 15 41.657 2.064 2.522 1.00 0.00 C ATOM 252 OD1 ASP A 15 41.252 1.102 1.816 1.00 0.00 O ATOM 253 OD2 ASP A 15 41.338 2.230 3.729 1.00 0.00 O ATOM 0 H ASP A 15 43.054 0.987 0.400 1.00 0.00 H new ATOM 0 HA ASP A 15 44.514 3.395 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 15 42.747 3.916 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 15 42.100 3.516 1.000 1.00 0.00 H new ATOM 258 N GLU A 16 44.778 0.537 2.604 1.00 0.00 N ATOM 259 CA GLU A 16 45.627 -0.274 3.440 1.00 0.00 C ATOM 260 C GLU A 16 47.061 0.113 3.192 1.00 0.00 C ATOM 261 O GLU A 16 47.812 0.345 4.132 1.00 0.00 O ATOM 262 CB GLU A 16 45.460 -1.776 3.104 1.00 0.00 C ATOM 263 CG GLU A 16 46.321 -2.730 3.960 1.00 0.00 C ATOM 264 CD GLU A 16 46.225 -4.177 3.468 1.00 0.00 C ATOM 265 OE1 GLU A 16 45.489 -4.442 2.481 1.00 0.00 O ATOM 266 OE2 GLU A 16 46.908 -5.043 4.080 1.00 0.00 O ATOM 0 H GLU A 16 44.203 -0.023 1.975 1.00 0.00 H new ATOM 0 HA GLU A 16 45.350 -0.111 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 16 44.411 -2.047 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 16 45.708 -1.929 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 16 47.361 -2.405 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 16 45.998 -2.677 5.000 1.00 0.00 H new ATOM 273 N PHE A 17 47.440 0.258 1.898 1.00 0.00 N ATOM 274 CA PHE A 17 48.741 0.699 1.453 1.00 0.00 C ATOM 275 C PHE A 17 49.050 2.089 1.966 1.00 0.00 C ATOM 276 O PHE A 17 50.174 2.355 2.375 1.00 0.00 O ATOM 277 CB PHE A 17 48.826 0.661 -0.097 1.00 0.00 C ATOM 278 CG PHE A 17 50.160 1.103 -0.640 1.00 0.00 C ATOM 279 CD1 PHE A 17 51.245 0.216 -0.708 1.00 0.00 C ATOM 280 CD2 PHE A 17 50.326 2.419 -1.101 1.00 0.00 C ATOM 281 CE1 PHE A 17 52.477 0.635 -1.222 1.00 0.00 C ATOM 282 CE2 PHE A 17 51.558 2.843 -1.605 1.00 0.00 C ATOM 283 CZ PHE A 17 52.641 1.959 -1.642 1.00 0.00 C ATOM 0 H PHE A 17 46.807 0.058 1.123 1.00 0.00 H new ATOM 0 HA PHE A 17 49.486 0.016 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 17 48.623 -0.354 -0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 17 48.045 1.299 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.128 -0.800 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 17 49.495 3.108 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 17 53.299 -0.062 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 17 51.674 3.854 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 17 53.604 2.299 -1.995 1.00 0.00 H new ATOM 293 N LEU A 18 48.050 2.997 1.963 1.00 0.00 N ATOM 294 CA LEU A 18 48.203 4.384 2.339 1.00 0.00 C ATOM 295 C LEU A 18 48.410 4.584 3.821 1.00 0.00 C ATOM 296 O LEU A 18 48.964 5.606 4.223 1.00 0.00 O ATOM 297 CB LEU A 18 46.972 5.207 1.885 1.00 0.00 C ATOM 298 CG LEU A 18 46.997 5.534 0.373 1.00 0.00 C ATOM 299 CD1 LEU A 18 45.637 6.068 -0.117 1.00 0.00 C ATOM 300 CD2 LEU A 18 48.137 6.502 -0.010 1.00 0.00 C ATOM 0 H LEU A 18 47.096 2.760 1.689 1.00 0.00 H new ATOM 0 HA LEU A 18 49.104 4.733 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.063 4.652 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 18 46.932 6.136 2.453 1.00 0.00 H new ATOM 0 HG LEU A 18 47.195 4.591 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.695 6.286 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.867 5.317 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 18 45.387 6.979 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 18 48.105 6.695 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 18 48.015 7.440 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 49.097 6.055 0.250 1.00 0.00 H new ATOM 312 N GLU A 19 47.997 3.611 4.667 1.00 0.00 N ATOM 313 CA GLU A 19 48.135 3.717 6.107 1.00 0.00 C ATOM 314 C GLU A 19 49.397 3.030 6.543 1.00 0.00 C ATOM 315 O GLU A 19 49.926 3.299 7.620 1.00 0.00 O ATOM 316 CB GLU A 19 46.947 3.087 6.858 1.00 0.00 C ATOM 317 CG GLU A 19 45.637 3.873 6.663 1.00 0.00 C ATOM 318 CD GLU A 19 45.766 5.299 7.203 1.00 0.00 C ATOM 319 OE1 GLU A 19 45.996 5.450 8.432 1.00 0.00 O ATOM 320 OE2 GLU A 19 45.636 6.254 6.391 1.00 0.00 O ATOM 0 H GLU A 19 47.563 2.742 4.355 1.00 0.00 H new ATOM 0 HA GLU A 19 48.164 4.779 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.806 2.063 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 19 47.180 3.036 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 19 45.381 3.903 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 19 44.822 3.360 7.173 1.00 0.00 H new ATOM 327 N TYR A 20 49.911 2.129 5.682 1.00 0.00 N ATOM 328 CA TYR A 20 51.098 1.337 5.896 1.00 0.00 C ATOM 329 C TYR A 20 52.285 2.146 5.517 1.00 0.00 C ATOM 330 O TYR A 20 53.400 1.880 5.965 1.00 0.00 O ATOM 331 CB TYR A 20 51.126 0.135 4.931 1.00 0.00 C ATOM 332 CG TYR A 20 50.372 -1.063 5.474 1.00 0.00 C ATOM 333 CD1 TYR A 20 50.863 -2.350 5.195 1.00 0.00 C ATOM 334 CD2 TYR A 20 49.234 -0.951 6.297 1.00 0.00 C ATOM 335 CE1 TYR A 20 50.218 -3.494 5.678 1.00 0.00 C ATOM 336 CE2 TYR A 20 48.584 -2.089 6.787 1.00 0.00 C ATOM 337 CZ TYR A 20 49.073 -3.364 6.474 1.00 0.00 C ATOM 338 OH TYR A 20 48.415 -4.515 6.964 1.00 0.00 O ATOM 0 H TYR A 20 49.474 1.939 4.780 1.00 0.00 H new ATOM 0 HA TYR A 20 51.104 1.019 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 20 50.693 0.430 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 20 52.161 -0.148 4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 20 51.755 -2.458 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 20 48.858 0.028 6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 20 50.602 -4.474 5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 20 47.705 -1.985 7.406 1.00 0.00 H new ATOM 0 HH TYR A 20 47.907 -4.935 6.239 1.00 0.00 H new ATOM 348 N CYS A 21 52.048 3.157 4.655 1.00 0.00 N ATOM 349 CA CYS A 21 53.086 3.995 4.109 1.00 0.00 C ATOM 350 C CYS A 21 53.613 4.968 5.141 1.00 0.00 C ATOM 351 O CYS A 21 54.630 5.625 4.921 1.00 0.00 O ATOM 352 CB CYS A 21 52.651 4.814 2.870 1.00 0.00 C ATOM 353 SG CYS A 21 52.739 3.816 1.360 1.00 0.00 S ATOM 0 H CYS A 21 51.113 3.401 4.328 1.00 0.00 H new ATOM 0 HA CYS A 21 53.861 3.294 3.800 1.00 0.00 H new ATOM 0 HB2 CYS A 21 51.633 5.177 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 21 53.291 5.691 2.767 1.00 0.00 H new ATOM 0 HG CYS A 21 51.756 2.965 1.344 1.00 0.00 H new ATOM 359 N ALA A 22 52.938 5.039 6.316 1.00 0.00 N ATOM 360 CA ALA A 22 53.330 5.792 7.482 1.00 0.00 C ATOM 361 C ALA A 22 54.590 5.230 8.104 1.00 0.00 C ATOM 362 O ALA A 22 55.277 5.919 8.857 1.00 0.00 O ATOM 363 CB ALA A 22 52.213 5.759 8.543 1.00 0.00 C ATOM 0 H ALA A 22 52.062 4.537 6.459 1.00 0.00 H new ATOM 0 HA ALA A 22 53.514 6.816 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 22 52.524 6.332 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 22 51.304 6.195 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.020 4.727 8.836 1.00 0.00 H new ATOM 369 N LYS A 23 54.932 3.964 7.754 1.00 0.00 N ATOM 370 CA LYS A 23 56.170 3.308 8.066 1.00 0.00 C ATOM 371 C LYS A 23 57.048 3.572 6.878 1.00 0.00 C ATOM 372 O LYS A 23 57.143 2.779 5.941 1.00 0.00 O ATOM 373 CB LYS A 23 56.019 1.782 8.278 1.00 0.00 C ATOM 374 CG LYS A 23 57.320 1.080 8.713 1.00 0.00 C ATOM 375 CD LYS A 23 57.187 -0.445 8.884 1.00 0.00 C ATOM 376 CE LYS A 23 56.931 -1.227 7.583 1.00 0.00 C ATOM 377 NZ LYS A 23 58.045 -1.067 6.619 1.00 0.00 N ATOM 0 H LYS A 23 54.301 3.367 7.220 1.00 0.00 H new ATOM 0 HA LYS A 23 56.574 3.688 9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 23 55.252 1.604 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 23 55.666 1.330 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.095 1.285 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 23 57.655 1.512 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 23 58.099 -0.824 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 56.371 -0.648 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 23 56.799 -2.284 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 23 56.003 -0.882 7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.895 -1.699 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.080 -0.081 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.944 -1.308 7.084 1.00 0.00 H new ATOM 391 N ASN A 24 57.696 4.750 6.916 1.00 0.00 N ATOM 392 CA ASN A 24 58.636 5.230 5.934 1.00 0.00 C ATOM 393 C ASN A 24 59.909 4.415 5.848 1.00 0.00 C ATOM 394 O ASN A 24 60.290 4.122 4.715 1.00 0.00 O ATOM 395 CB ASN A 24 58.982 6.735 6.083 1.00 0.00 C ATOM 396 CG ASN A 24 57.711 7.576 5.912 1.00 0.00 C ATOM 397 OD1 ASN A 24 57.192 7.706 4.797 1.00 0.00 O ATOM 398 ND2 ASN A 24 57.210 8.150 7.047 1.00 0.00 N ATOM 0 H ASN A 24 57.559 5.413 7.679 1.00 0.00 H new ATOM 0 HA ASN A 24 58.099 5.101 4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 24 59.424 6.921 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 24 59.724 7.023 5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.365 8.720 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 24 57.681 8.008 7.941 1.00 0.00 H new ATOM 405 N PRO A 25 60.603 3.983 6.913 1.00 0.00 N ATOM 406 CA PRO A 25 61.748 3.089 6.825 1.00 0.00 C ATOM 407 C PRO A 25 61.364 1.791 6.187 1.00 0.00 C ATOM 408 O PRO A 25 60.269 1.308 6.478 1.00 0.00 O ATOM 409 CB PRO A 25 62.137 2.782 8.278 1.00 0.00 C ATOM 410 CG PRO A 25 61.614 3.975 9.082 1.00 0.00 C ATOM 411 CD PRO A 25 60.416 4.476 8.273 1.00 0.00 C ATOM 0 HA PRO A 25 62.545 3.546 6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 25 61.689 1.848 8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 25 63.217 2.676 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 25 61.319 3.678 10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 25 62.375 4.748 9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.481 4.107 8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 25 60.365 5.565 8.288 1.00 0.00 H new ATOM 419 N SER A 26 62.243 1.240 5.317 1.00 0.00 N ATOM 420 CA SER A 26 62.022 -0.002 4.622 1.00 0.00 C ATOM 421 C SER A 26 60.788 0.109 3.768 1.00 0.00 C ATOM 422 O SER A 26 59.790 -0.580 3.977 1.00 0.00 O ATOM 423 CB SER A 26 61.975 -1.222 5.568 1.00 0.00 C ATOM 424 OG SER A 26 63.234 -1.413 6.198 1.00 0.00 O ATOM 0 H SER A 26 63.138 1.674 5.090 1.00 0.00 H new ATOM 0 HA SER A 26 62.879 -0.182 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 26 61.203 -1.074 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 26 61.704 -2.115 5.005 1.00 0.00 H new ATOM 0 HG SER A 26 63.187 -2.189 6.795 1.00 0.00 H new ATOM 430 N TYR A 27 60.862 1.026 2.775 1.00 0.00 N ATOM 431 CA TYR A 27 59.813 1.326 1.828 1.00 0.00 C ATOM 432 C TYR A 27 59.657 0.193 0.854 1.00 0.00 C ATOM 433 O TYR A 27 58.603 -0.020 0.264 1.00 0.00 O ATOM 434 CB TYR A 27 60.077 2.648 1.049 1.00 0.00 C ATOM 435 CG TYR A 27 61.111 2.601 -0.067 1.00 0.00 C ATOM 436 CD1 TYR A 27 62.418 2.121 0.133 1.00 0.00 C ATOM 437 CD2 TYR A 27 60.735 2.997 -1.364 1.00 0.00 C ATOM 438 CE1 TYR A 27 63.313 2.004 -0.937 1.00 0.00 C ATOM 439 CE2 TYR A 27 61.617 2.860 -2.441 1.00 0.00 C ATOM 440 CZ TYR A 27 62.911 2.369 -2.229 1.00 0.00 C ATOM 441 OH TYR A 27 63.810 2.245 -3.311 1.00 0.00 O ATOM 0 H TYR A 27 61.698 1.590 2.623 1.00 0.00 H new ATOM 0 HA TYR A 27 58.894 1.457 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 27 59.132 2.983 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 27 60.388 3.407 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 27 62.735 1.839 1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 27 59.752 3.412 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 27 64.313 1.633 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 27 61.300 3.133 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 27 63.371 2.540 -4.136 1.00 0.00 H new ATOM 451 N GLU A 28 60.767 -0.552 0.701 1.00 0.00 N ATOM 452 CA GLU A 28 60.946 -1.712 -0.112 1.00 0.00 C ATOM 453 C GLU A 28 60.050 -2.833 0.350 1.00 0.00 C ATOM 454 O GLU A 28 59.600 -3.626 -0.467 1.00 0.00 O ATOM 455 CB GLU A 28 62.423 -2.174 -0.077 1.00 0.00 C ATOM 456 CG GLU A 28 63.100 -1.994 1.300 1.00 0.00 C ATOM 457 CD GLU A 28 64.482 -2.643 1.282 1.00 0.00 C ATOM 458 OE1 GLU A 28 65.337 -2.190 0.474 1.00 0.00 O ATOM 459 OE2 GLU A 28 64.701 -3.596 2.077 1.00 0.00 O ATOM 0 H GLU A 28 61.624 -0.314 1.200 1.00 0.00 H new ATOM 0 HA GLU A 28 60.679 -1.450 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 28 62.472 -3.225 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 28 62.987 -1.615 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 28 63.188 -0.934 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 62.486 -2.445 2.080 1.00 0.00 H new ATOM 466 N GLU A 29 59.730 -2.907 1.664 1.00 0.00 N ATOM 467 CA GLU A 29 58.825 -3.898 2.199 1.00 0.00 C ATOM 468 C GLU A 29 57.398 -3.564 1.850 1.00 0.00 C ATOM 469 O GLU A 29 56.596 -4.468 1.639 1.00 0.00 O ATOM 470 CB GLU A 29 58.921 -4.036 3.732 1.00 0.00 C ATOM 471 CG GLU A 29 60.274 -4.612 4.181 1.00 0.00 C ATOM 472 CD GLU A 29 60.277 -4.776 5.700 1.00 0.00 C ATOM 473 OE1 GLU A 29 60.495 -5.924 6.171 1.00 0.00 O ATOM 474 OE2 GLU A 29 60.053 -3.760 6.411 1.00 0.00 O ATOM 0 H GLU A 29 60.104 -2.270 2.367 1.00 0.00 H new ATOM 0 HA GLU A 29 59.124 -4.843 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 29 58.773 -3.059 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 29 58.118 -4.681 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 60.450 -5.574 3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 29 61.084 -3.950 3.874 1.00 0.00 H new ATOM 481 N ALA A 30 57.053 -2.257 1.755 1.00 0.00 N ATOM 482 CA ALA A 30 55.726 -1.806 1.390 1.00 0.00 C ATOM 483 C ALA A 30 55.490 -1.969 -0.092 1.00 0.00 C ATOM 484 O ALA A 30 54.353 -2.069 -0.536 1.00 0.00 O ATOM 485 CB ALA A 30 55.484 -0.329 1.755 1.00 0.00 C ATOM 0 H ALA A 30 57.707 -1.495 1.935 1.00 0.00 H new ATOM 0 HA ALA A 30 55.032 -2.427 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 30 54.475 -0.042 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 30 55.599 -0.196 2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 30 56.207 0.298 1.233 1.00 0.00 H new ATOM 491 N TYR A 31 56.566 -2.032 -0.905 1.00 0.00 N ATOM 492 CA TYR A 31 56.491 -2.316 -2.319 1.00 0.00 C ATOM 493 C TYR A 31 56.238 -3.789 -2.492 1.00 0.00 C ATOM 494 O TYR A 31 55.255 -4.182 -3.106 1.00 0.00 O ATOM 495 CB TYR A 31 57.828 -1.901 -3.011 1.00 0.00 C ATOM 496 CG TYR A 31 58.086 -2.434 -4.405 1.00 0.00 C ATOM 497 CD1 TYR A 31 57.064 -2.485 -5.363 1.00 0.00 C ATOM 498 CD2 TYR A 31 59.356 -2.929 -4.750 1.00 0.00 C ATOM 499 CE1 TYR A 31 57.272 -3.084 -6.611 1.00 0.00 C ATOM 500 CE2 TYR A 31 59.584 -3.497 -6.010 1.00 0.00 C ATOM 501 CZ TYR A 31 58.538 -3.586 -6.939 1.00 0.00 C ATOM 502 OH TYR A 31 58.757 -4.184 -8.200 1.00 0.00 O ATOM 0 H TYR A 31 57.519 -1.882 -0.573 1.00 0.00 H new ATOM 0 HA TYR A 31 55.681 -1.751 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 31 57.861 -0.812 -3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 31 58.651 -2.219 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 31 56.100 -2.055 -5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 31 60.164 -2.871 -4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 31 56.459 -3.159 -7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 31 60.566 -3.867 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 31 59.690 -4.478 -8.265 1.00 0.00 H new ATOM 512 N LEU A 32 57.147 -4.627 -1.968 1.00 0.00 N ATOM 513 CA LEU A 32 57.239 -6.033 -2.283 1.00 0.00 C ATOM 514 C LEU A 32 56.118 -6.859 -1.702 1.00 0.00 C ATOM 515 O LEU A 32 55.758 -7.892 -2.265 1.00 0.00 O ATOM 516 CB LEU A 32 58.583 -6.588 -1.775 1.00 0.00 C ATOM 517 CG LEU A 32 59.804 -5.989 -2.520 1.00 0.00 C ATOM 518 CD1 LEU A 32 61.105 -6.233 -1.729 1.00 0.00 C ATOM 519 CD2 LEU A 32 59.928 -6.514 -3.965 1.00 0.00 C ATOM 0 H LEU A 32 57.851 -4.321 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 32 57.162 -6.110 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 32 58.676 -6.380 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 58.589 -7.672 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 32 59.638 -4.914 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 61.947 -5.804 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 32 61.028 -5.763 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 32 61.261 -7.305 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 32 60.798 -6.064 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 32 60.042 -7.598 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 32 59.031 -6.252 -4.526 1.00 0.00 H new ATOM 531 N LYS A 33 55.527 -6.405 -0.573 1.00 0.00 N ATOM 532 CA LYS A 33 54.405 -7.044 0.086 1.00 0.00 C ATOM 533 C LYS A 33 53.166 -6.918 -0.766 1.00 0.00 C ATOM 534 O LYS A 33 52.440 -7.890 -0.970 1.00 0.00 O ATOM 535 CB LYS A 33 54.106 -6.412 1.470 1.00 0.00 C ATOM 536 CG LYS A 33 52.996 -7.091 2.290 1.00 0.00 C ATOM 537 CD LYS A 33 51.738 -6.228 2.356 1.00 0.00 C ATOM 538 CE LYS A 33 50.547 -6.893 3.048 1.00 0.00 C ATOM 539 NZ LYS A 33 50.151 -8.157 2.382 1.00 0.00 N ATOM 0 H LYS A 33 55.839 -5.559 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 33 54.674 -8.091 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 55.024 -6.421 2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 53.834 -5.367 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 33 52.753 -8.056 1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 33 53.357 -7.287 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 33 51.975 -5.302 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 33 51.447 -5.955 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 33 50.800 -7.096 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 33 49.701 -6.206 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 49.245 -8.486 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.049 -7.994 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 50.881 -8.879 2.546 1.00 0.00 H new ATOM 553 N PHE A 34 52.920 -5.694 -1.287 1.00 0.00 N ATOM 554 CA PHE A 34 51.774 -5.349 -2.094 1.00 0.00 C ATOM 555 C PHE A 34 52.086 -5.777 -3.502 1.00 0.00 C ATOM 556 O PHE A 34 51.773 -6.895 -3.906 1.00 0.00 O ATOM 557 CB PHE A 34 51.469 -3.827 -2.046 1.00 0.00 C ATOM 558 CG PHE A 34 50.863 -3.464 -0.714 1.00 0.00 C ATOM 559 CD1 PHE A 34 49.482 -3.232 -0.569 1.00 0.00 C ATOM 560 CD2 PHE A 34 51.684 -3.338 0.416 1.00 0.00 C ATOM 561 CE1 PHE A 34 48.945 -2.880 0.679 1.00 0.00 C ATOM 562 CE2 PHE A 34 51.156 -2.992 1.659 1.00 0.00 C ATOM 563 CZ PHE A 34 49.785 -2.757 1.794 1.00 0.00 C ATOM 0 H PHE A 34 53.550 -4.905 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 34 50.886 -5.853 -1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 34 52.386 -3.259 -2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 34 50.785 -3.559 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 34 48.830 -3.326 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 34 52.746 -3.512 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 34 47.884 -2.704 0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 34 51.806 -2.906 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.374 -2.482 2.754 1.00 0.00 H new ATOM 573 N GLY A 35 52.743 -4.888 -4.267 1.00 0.00 N ATOM 574 CA GLY A 35 53.263 -5.198 -5.565 1.00 0.00 C ATOM 575 C GLY A 35 53.461 -3.882 -6.208 1.00 0.00 C ATOM 576 O GLY A 35 54.045 -2.984 -5.615 1.00 0.00 O ATOM 0 H GLY A 35 52.918 -3.926 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.200 -5.751 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 35 52.569 -5.817 -6.133 1.00 0.00 H new ATOM 580 N ASP A 36 52.931 -3.720 -7.440 1.00 0.00 N ATOM 581 CA ASP A 36 53.102 -2.554 -8.275 1.00 0.00 C ATOM 582 C ASP A 36 52.353 -1.343 -7.765 1.00 0.00 C ATOM 583 O ASP A 36 52.411 -0.288 -8.388 1.00 0.00 O ATOM 584 CB ASP A 36 52.711 -2.818 -9.759 1.00 0.00 C ATOM 585 CG ASP A 36 51.239 -3.218 -9.939 1.00 0.00 C ATOM 586 OD1 ASP A 36 50.870 -4.350 -9.529 1.00 0.00 O ATOM 587 OD2 ASP A 36 50.470 -2.391 -10.499 1.00 0.00 O ATOM 0 H ASP A 36 52.353 -4.437 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 36 54.169 -2.337 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 36 52.910 -1.921 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 36 53.346 -3.608 -10.160 1.00 0.00 H new ATOM 592 N LYS A 37 51.665 -1.481 -6.604 1.00 0.00 N ATOM 593 CA LYS A 37 50.952 -0.465 -5.871 1.00 0.00 C ATOM 594 C LYS A 37 51.845 0.697 -5.502 1.00 0.00 C ATOM 595 O LYS A 37 51.451 1.852 -5.647 1.00 0.00 O ATOM 596 CB LYS A 37 50.326 -1.059 -4.590 1.00 0.00 C ATOM 597 CG LYS A 37 49.400 -0.109 -3.808 1.00 0.00 C ATOM 598 CD LYS A 37 48.176 0.440 -4.566 1.00 0.00 C ATOM 599 CE LYS A 37 47.181 -0.637 -5.018 1.00 0.00 C ATOM 600 NZ LYS A 37 46.030 -0.027 -5.725 1.00 0.00 N ATOM 0 H LYS A 37 51.604 -2.387 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 37 50.164 -0.094 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 37 49.760 -1.950 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 37 51.130 -1.382 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 37 49.044 -0.633 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 37 49.994 0.737 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 37 47.656 1.153 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 48.521 0.990 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 37 47.682 -1.348 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 37 46.827 -1.197 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 45.370 -0.774 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 45.542 0.634 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 46.370 0.487 -6.562 1.00 0.00 H new ATOM 614 N LEU A 38 53.090 0.408 -5.045 1.00 0.00 N ATOM 615 CA LEU A 38 54.045 1.422 -4.639 1.00 0.00 C ATOM 616 C LEU A 38 54.607 2.121 -5.841 1.00 0.00 C ATOM 617 O LEU A 38 54.866 3.320 -5.780 1.00 0.00 O ATOM 618 CB LEU A 38 55.194 0.853 -3.752 1.00 0.00 C ATOM 619 CG LEU A 38 56.161 1.912 -3.158 1.00 0.00 C ATOM 620 CD1 LEU A 38 56.500 1.629 -1.682 1.00 0.00 C ATOM 621 CD2 LEU A 38 57.445 2.046 -3.994 1.00 0.00 C ATOM 0 H LEU A 38 53.443 -0.545 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 38 53.501 2.139 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 38 54.751 0.289 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 38 55.775 0.148 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 38 55.633 2.865 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 38 57.179 2.397 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 55.585 1.638 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 38 56.976 0.652 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 38 58.095 2.797 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 38 57.963 1.087 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 38 57.188 2.349 -5.009 1.00 0.00 H new ATOM 633 N LEU A 39 54.773 1.405 -6.977 1.00 0.00 N ATOM 634 CA LEU A 39 55.337 1.952 -8.190 1.00 0.00 C ATOM 635 C LEU A 39 54.455 3.024 -8.779 1.00 0.00 C ATOM 636 O LEU A 39 54.929 4.112 -9.099 1.00 0.00 O ATOM 637 CB LEU A 39 55.574 0.876 -9.269 1.00 0.00 C ATOM 638 CG LEU A 39 56.501 -0.278 -8.817 1.00 0.00 C ATOM 639 CD1 LEU A 39 56.649 -1.308 -9.949 1.00 0.00 C ATOM 640 CD2 LEU A 39 57.884 0.197 -8.326 1.00 0.00 C ATOM 0 H LEU A 39 54.510 0.423 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 39 56.296 2.379 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 39 54.612 0.459 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 39 56.005 1.350 -10.151 1.00 0.00 H new ATOM 0 HG LEU A 39 56.023 -0.744 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 39 57.303 -2.116 -9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 39 55.669 -1.714 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 39 57.080 -0.825 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 39 58.479 -0.665 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 39 58.393 0.727 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 57.758 0.865 -7.474 1.00 0.00 H new ATOM 652 N GLU A 40 53.140 2.737 -8.910 1.00 0.00 N ATOM 653 CA GLU A 40 52.176 3.626 -9.515 1.00 0.00 C ATOM 654 C GLU A 40 51.860 4.815 -8.650 1.00 0.00 C ATOM 655 O GLU A 40 51.595 5.886 -9.181 1.00 0.00 O ATOM 656 CB GLU A 40 50.833 2.930 -9.839 1.00 0.00 C ATOM 657 CG GLU A 40 50.169 2.220 -8.644 1.00 0.00 C ATOM 658 CD GLU A 40 48.807 1.626 -9.007 1.00 0.00 C ATOM 659 OE1 GLU A 40 48.163 1.051 -8.089 1.00 0.00 O ATOM 660 OE2 GLU A 40 48.386 1.738 -10.189 1.00 0.00 O ATOM 0 H GLU A 40 52.732 1.860 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 40 52.659 3.949 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 40 50.140 3.674 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 40 51.000 2.200 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 40 50.825 1.427 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 40 50.047 2.929 -7.825 1.00 0.00 H new ATOM 667 N TYR A 41 51.875 4.653 -7.305 1.00 0.00 N ATOM 668 CA TYR A 41 51.512 5.680 -6.352 1.00 0.00 C ATOM 669 C TYR A 41 52.647 6.654 -6.200 1.00 0.00 C ATOM 670 O TYR A 41 52.439 7.790 -5.776 1.00 0.00 O ATOM 671 CB TYR A 41 51.179 5.053 -4.969 1.00 0.00 C ATOM 672 CG TYR A 41 49.708 4.731 -4.794 1.00 0.00 C ATOM 673 CD1 TYR A 41 48.819 4.506 -5.868 1.00 0.00 C ATOM 674 CD2 TYR A 41 49.189 4.691 -3.487 1.00 0.00 C ATOM 675 CE1 TYR A 41 47.465 4.233 -5.640 1.00 0.00 C ATOM 676 CE2 TYR A 41 47.840 4.403 -3.256 1.00 0.00 C ATOM 677 CZ TYR A 41 46.976 4.183 -4.331 1.00 0.00 C ATOM 678 OH TYR A 41 45.607 3.949 -4.092 1.00 0.00 O ATOM 0 H TYR A 41 52.149 3.776 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 41 50.628 6.199 -6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 41 51.761 4.140 -4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 41 51.489 5.741 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 41 49.190 4.545 -6.882 1.00 0.00 H new ATOM 0 HD2 TYR A 41 49.842 4.886 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 41 46.800 4.061 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 41 47.466 4.351 -2.244 1.00 0.00 H new ATOM 0 HH TYR A 41 45.440 3.945 -3.126 1.00 0.00 H new ATOM 688 N GLU A 42 53.871 6.226 -6.580 1.00 0.00 N ATOM 689 CA GLU A 42 55.065 7.044 -6.539 1.00 0.00 C ATOM 690 C GLU A 42 55.067 7.939 -7.747 1.00 0.00 C ATOM 691 O GLU A 42 55.335 9.135 -7.646 1.00 0.00 O ATOM 692 CB GLU A 42 56.345 6.177 -6.465 1.00 0.00 C ATOM 693 CG GLU A 42 57.629 6.894 -5.993 1.00 0.00 C ATOM 694 CD GLU A 42 58.206 7.825 -7.059 1.00 0.00 C ATOM 695 OE1 GLU A 42 58.501 7.332 -8.181 1.00 0.00 O ATOM 696 OE2 GLU A 42 58.367 9.039 -6.762 1.00 0.00 O ATOM 0 H GLU A 42 54.041 5.282 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 42 55.061 7.654 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 42 56.153 5.340 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 42 56.531 5.756 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 57.410 7.469 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 42 58.378 6.150 -5.722 1.00 0.00 H new ATOM 703 N LEU A 43 54.706 7.363 -8.918 1.00 0.00 N ATOM 704 CA LEU A 43 54.588 8.048 -10.185 1.00 0.00 C ATOM 705 C LEU A 43 53.388 8.968 -10.210 1.00 0.00 C ATOM 706 O LEU A 43 53.341 9.906 -11.005 1.00 0.00 O ATOM 707 CB LEU A 43 54.429 7.026 -11.337 1.00 0.00 C ATOM 708 CG LEU A 43 55.700 6.185 -11.612 1.00 0.00 C ATOM 709 CD1 LEU A 43 55.378 4.984 -12.523 1.00 0.00 C ATOM 710 CD2 LEU A 43 56.856 7.026 -12.190 1.00 0.00 C ATOM 0 H LEU A 43 54.485 6.370 -8.987 1.00 0.00 H new ATOM 0 HA LEU A 43 55.497 8.635 -10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 43 53.605 6.353 -11.101 1.00 0.00 H new ATOM 0 HB3 LEU A 43 54.155 7.559 -12.247 1.00 0.00 H new ATOM 0 HG LEU A 43 56.042 5.807 -10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 43 56.287 4.409 -12.702 1.00 0.00 H new ATOM 0 HD12 LEU A 43 54.636 4.349 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 43 54.984 5.344 -13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 43 57.721 6.385 -12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 43 56.543 7.476 -13.132 1.00 0.00 H new ATOM 0 HD23 LEU A 43 57.122 7.812 -11.484 1.00 0.00 H new ATOM 722 N LEU A 44 52.398 8.718 -9.321 1.00 0.00 N ATOM 723 CA LEU A 44 51.174 9.468 -9.198 1.00 0.00 C ATOM 724 C LEU A 44 51.468 10.721 -8.415 1.00 0.00 C ATOM 725 O LEU A 44 51.583 11.795 -9.003 1.00 0.00 O ATOM 726 CB LEU A 44 50.074 8.599 -8.549 1.00 0.00 C ATOM 727 CG LEU A 44 48.718 9.258 -8.220 1.00 0.00 C ATOM 728 CD1 LEU A 44 48.122 10.053 -9.398 1.00 0.00 C ATOM 729 CD2 LEU A 44 47.724 8.194 -7.714 1.00 0.00 C ATOM 0 H LEU A 44 52.455 7.950 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 44 50.793 9.756 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 44 49.881 7.756 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 44 50.478 8.189 -7.623 1.00 0.00 H new ATOM 0 HG LEU A 44 48.903 9.988 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 44 47.169 10.489 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 48.810 10.848 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 44 47.964 9.385 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 44 46.770 8.668 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 44 47.577 7.437 -8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 48.121 7.723 -6.815 1.00 0.00 H new ATOM 741 N GLY A 45 51.624 10.611 -7.075 1.00 0.00 N ATOM 742 CA GLY A 45 52.004 11.736 -6.257 1.00 0.00 C ATOM 743 C GLY A 45 51.319 11.655 -4.931 1.00 0.00 C ATOM 744 O GLY A 45 51.103 12.676 -4.279 1.00 0.00 O ATOM 0 H GLY A 45 51.487 9.743 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 45 53.085 11.747 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 45 51.738 12.667 -6.757 1.00 0.00 H new ATOM 748 N LYS A 46 50.977 10.424 -4.486 1.00 0.00 N ATOM 749 CA LYS A 46 50.410 10.170 -3.182 1.00 0.00 C ATOM 750 C LYS A 46 51.551 10.032 -2.218 1.00 0.00 C ATOM 751 O LYS A 46 51.567 10.636 -1.148 1.00 0.00 O ATOM 752 CB LYS A 46 49.549 8.897 -3.159 1.00 0.00 C ATOM 753 CG LYS A 46 48.224 9.130 -3.896 1.00 0.00 C ATOM 754 CD LYS A 46 47.245 7.956 -3.802 1.00 0.00 C ATOM 755 CE LYS A 46 45.845 8.346 -4.285 1.00 0.00 C ATOM 756 NZ LYS A 46 44.900 7.212 -4.167 1.00 0.00 N ATOM 0 H LYS A 46 51.097 9.580 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 46 49.752 10.996 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 46 50.092 8.075 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 46 49.352 8.603 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 46 47.746 10.022 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 46 48.435 9.331 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 46 47.617 7.123 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.191 7.609 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 46 45.478 9.190 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.894 8.674 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.224 7.240 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.428 6.316 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.384 7.282 -3.267 1.00 0.00 H new ATOM 770 N ILE A 47 52.546 9.227 -2.630 1.00 0.00 N ATOM 771 CA ILE A 47 53.806 9.033 -1.969 1.00 0.00 C ATOM 772 C ILE A 47 54.832 9.565 -2.927 1.00 0.00 C ATOM 773 O ILE A 47 54.530 9.833 -4.091 1.00 0.00 O ATOM 774 CB ILE A 47 54.092 7.578 -1.685 1.00 0.00 C ATOM 775 CG1 ILE A 47 53.778 6.732 -2.931 1.00 0.00 C ATOM 776 CG2 ILE A 47 53.254 7.118 -0.478 1.00 0.00 C ATOM 777 CD1 ILE A 47 54.151 5.270 -2.787 1.00 0.00 C ATOM 0 H ILE A 47 52.467 8.673 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 47 53.811 9.537 -1.002 1.00 0.00 H new ATOM 0 HB ILE A 47 55.147 7.449 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 47 52.713 6.806 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 47 54.309 7.150 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 47 53.459 6.068 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 53.514 7.717 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 47 52.195 7.243 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 47 53.900 4.738 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 47 55.221 5.184 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 47 53.600 4.834 -1.953 1.00 0.00 H new ATOM 789 N LYS A 48 56.083 9.729 -2.445 1.00 0.00 N ATOM 790 CA LYS A 48 57.195 10.095 -3.283 1.00 0.00 C ATOM 791 C LYS A 48 58.386 9.356 -2.761 1.00 0.00 C ATOM 792 O LYS A 48 58.402 8.920 -1.617 1.00 0.00 O ATOM 793 CB LYS A 48 57.556 11.603 -3.219 1.00 0.00 C ATOM 794 CG LYS A 48 56.393 12.552 -3.554 1.00 0.00 C ATOM 795 CD LYS A 48 56.759 14.042 -3.449 1.00 0.00 C ATOM 796 CE LYS A 48 57.106 14.486 -2.020 1.00 0.00 C ATOM 797 NZ LYS A 48 57.379 15.941 -1.965 1.00 0.00 N ATOM 0 H LYS A 48 56.328 9.607 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 48 56.924 9.859 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.920 11.834 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.377 11.797 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.046 12.343 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 48 55.561 12.343 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 48 57.608 14.247 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.924 14.640 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.282 14.242 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.978 13.936 -1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.611 16.214 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 58.181 16.168 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 56.537 16.464 -2.280 1.00 0.00 H new ATOM 811 N ARG A 49 59.433 9.218 -3.596 1.00 0.00 N ATOM 812 CA ARG A 49 60.677 8.615 -3.193 1.00 0.00 C ATOM 813 C ARG A 49 61.711 9.334 -3.998 1.00 0.00 C ATOM 814 O ARG A 49 61.522 9.557 -5.193 1.00 0.00 O ATOM 815 CB ARG A 49 60.748 7.091 -3.447 1.00 0.00 C ATOM 816 CG ARG A 49 62.024 6.417 -2.907 1.00 0.00 C ATOM 817 CD ARG A 49 63.147 6.265 -3.945 1.00 0.00 C ATOM 818 NE ARG A 49 64.309 5.567 -3.299 1.00 0.00 N ATOM 819 CZ ARG A 49 65.596 5.699 -3.745 1.00 0.00 C ATOM 820 NH1 ARG A 49 66.577 4.923 -3.196 1.00 0.00 N ATOM 821 NH2 ARG A 49 65.917 6.584 -4.733 1.00 0.00 N ATOM 0 H ARG A 49 59.420 9.529 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 49 60.815 8.709 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 49 59.879 6.617 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 49 60.682 6.910 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 49 62.400 6.999 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.765 5.431 -2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 49 62.793 5.694 -4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 49 63.453 7.243 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 49 64.131 4.968 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 49 66.347 4.254 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 49 67.540 5.013 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 49 65.191 7.163 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 49 66.883 6.666 -5.050 1.00 0.00 H new ATOM 835 N ILE A 50 62.830 9.732 -3.350 1.00 0.00 N ATOM 836 CA ILE A 50 63.874 10.466 -4.019 1.00 0.00 C ATOM 837 C ILE A 50 65.152 10.242 -3.260 1.00 0.00 C ATOM 838 O ILE A 50 66.217 10.112 -3.861 1.00 0.00 O ATOM 839 CB ILE A 50 63.557 11.951 -4.200 1.00 0.00 C ATOM 840 CG1 ILE A 50 64.672 12.676 -4.994 1.00 0.00 C ATOM 841 CG2 ILE A 50 63.210 12.639 -2.858 1.00 0.00 C ATOM 842 CD1 ILE A 50 64.223 14.021 -5.567 1.00 0.00 C ATOM 0 H ILE A 50 63.012 9.546 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 50 63.972 10.092 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 50 62.655 12.026 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 50 65.530 12.834 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 50 65.006 12.034 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 50 62.992 13.692 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 50 62.338 12.157 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 50 64.056 12.553 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 50 65.049 14.478 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 50 63.383 13.866 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 50 63.916 14.679 -4.754 1.00 0.00 H new ATOM 854 N ASN A 51 65.067 10.180 -1.908 1.00 0.00 N ATOM 855 CA ASN A 51 66.206 10.133 -1.025 1.00 0.00 C ATOM 856 C ASN A 51 66.743 8.722 -1.015 1.00 0.00 C ATOM 857 O ASN A 51 67.625 8.385 -1.804 1.00 0.00 O ATOM 858 CB ASN A 51 65.816 10.638 0.399 1.00 0.00 C ATOM 859 CG ASN A 51 67.007 10.699 1.372 1.00 0.00 C ATOM 860 OD1 ASN A 51 66.984 10.048 2.423 1.00 0.00 O ATOM 861 ND2 ASN A 51 68.050 11.501 1.003 1.00 0.00 N ATOM 0 H ASN A 51 64.175 10.162 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 51 66.994 10.799 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 51 65.373 11.630 0.316 1.00 0.00 H new ATOM 0 HB3 ASN A 51 65.051 9.981 0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 51 68.867 11.586 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.012 12.015 0.123 1.00 0.00 H new ATOM 868 N HIS A 52 66.218 7.872 -0.110 1.00 0.00 N ATOM 869 CA HIS A 52 66.664 6.515 0.058 1.00 0.00 C ATOM 870 C HIS A 52 65.436 5.694 0.297 1.00 0.00 C ATOM 871 O HIS A 52 65.351 4.547 -0.138 1.00 0.00 O ATOM 872 CB HIS A 52 67.607 6.349 1.273 1.00 0.00 C ATOM 873 CG HIS A 52 68.888 7.122 1.122 1.00 0.00 C ATOM 874 ND1 HIS A 52 69.797 6.862 0.131 1.00 0.00 N ATOM 875 CD2 HIS A 52 69.364 8.170 1.834 1.00 0.00 C ATOM 876 CE1 HIS A 52 70.793 7.730 0.241 1.00 0.00 C ATOM 877 NE2 HIS A 52 70.554 8.536 1.266 1.00 0.00 N ATOM 0 H HIS A 52 65.462 8.133 0.524 1.00 0.00 H new ATOM 0 HA HIS A 52 67.221 6.208 -0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 52 67.092 6.679 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 52 67.838 5.292 1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 52 68.893 8.631 2.690 1.00 0.00 H new ATOM 0 HE1 HIS A 52 71.660 7.774 -0.401 1.00 0.00 H new ATOM 0 HE2 HIS A 52 71.155 9.299 1.578 1.00 0.00 H new ATOM 886 N ILE A 53 64.456 6.288 1.012 1.00 0.00 N ATOM 887 CA ILE A 53 63.239 5.644 1.419 1.00 0.00 C ATOM 888 C ILE A 53 62.130 6.526 0.934 1.00 0.00 C ATOM 889 O ILE A 53 62.366 7.598 0.375 1.00 0.00 O ATOM 890 CB ILE A 53 63.131 5.420 2.918 1.00 0.00 C ATOM 891 CG1 ILE A 53 63.337 6.723 3.727 1.00 0.00 C ATOM 892 CG2 ILE A 53 64.128 4.306 3.311 1.00 0.00 C ATOM 893 CD1 ILE A 53 62.902 6.559 5.182 1.00 0.00 C ATOM 0 H ILE A 53 64.515 7.259 1.319 1.00 0.00 H new ATOM 0 HA ILE A 53 63.198 4.642 0.992 1.00 0.00 H new ATOM 0 HB ILE A 53 62.119 5.100 3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 53 64.388 7.011 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 53 62.769 7.531 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 53 64.069 4.127 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 53 63.879 3.390 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 53 65.140 4.615 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 53 63.062 7.495 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 53 61.845 6.296 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 63.488 5.768 5.650 1.00 0.00 H new ATOM 905 N VAL A 54 60.875 6.076 1.155 1.00 0.00 N ATOM 906 CA VAL A 54 59.681 6.779 0.772 1.00 0.00 C ATOM 907 C VAL A 54 59.463 7.881 1.775 1.00 0.00 C ATOM 908 O VAL A 54 59.783 7.738 2.953 1.00 0.00 O ATOM 909 CB VAL A 54 58.478 5.832 0.687 1.00 0.00 C ATOM 910 CG1 VAL A 54 58.016 5.334 2.075 1.00 0.00 C ATOM 911 CG2 VAL A 54 57.316 6.430 -0.124 1.00 0.00 C ATOM 0 H VAL A 54 60.685 5.188 1.619 1.00 0.00 H new ATOM 0 HA VAL A 54 59.793 7.205 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 54 58.824 4.955 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 54 57.162 4.667 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 54 58.832 4.797 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 54 57.728 6.187 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 54 56.490 5.720 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 54 56.983 7.355 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 54 57.651 6.639 -1.140 1.00 0.00 H new ATOM 921 N VAL A 55 58.932 9.024 1.304 1.00 0.00 N ATOM 922 CA VAL A 55 58.417 10.073 2.139 1.00 0.00 C ATOM 923 C VAL A 55 57.003 10.185 1.663 1.00 0.00 C ATOM 924 O VAL A 55 56.719 9.967 0.488 1.00 0.00 O ATOM 925 CB VAL A 55 59.147 11.411 2.018 1.00 0.00 C ATOM 926 CG1 VAL A 55 60.542 11.249 2.658 1.00 0.00 C ATOM 927 CG2 VAL A 55 59.239 11.894 0.552 1.00 0.00 C ATOM 0 H VAL A 55 58.857 9.228 0.307 1.00 0.00 H new ATOM 0 HA VAL A 55 58.535 9.836 3.196 1.00 0.00 H new ATOM 0 HB VAL A 55 58.585 12.183 2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 55 61.087 12.190 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 55 60.431 10.973 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 55 61.094 10.469 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 55 59.765 12.848 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 55 59.782 11.157 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 55 58.235 12.018 0.146 1.00 0.00 H new ATOM 937 N LEU A 56 56.055 10.523 2.564 1.00 0.00 N ATOM 938 CA LEU A 56 54.689 10.732 2.158 1.00 0.00 C ATOM 939 C LEU A 56 54.594 12.121 1.594 1.00 0.00 C ATOM 940 O LEU A 56 55.520 12.922 1.725 1.00 0.00 O ATOM 941 CB LEU A 56 53.664 10.589 3.307 1.00 0.00 C ATOM 942 CG LEU A 56 53.762 9.239 4.054 1.00 0.00 C ATOM 943 CD1 LEU A 56 54.438 9.402 5.428 1.00 0.00 C ATOM 944 CD2 LEU A 56 52.386 8.563 4.188 1.00 0.00 C ATOM 0 H LEU A 56 56.229 10.651 3.561 1.00 0.00 H new ATOM 0 HA LEU A 56 54.439 9.961 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 56 53.812 11.401 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.658 10.699 2.902 1.00 0.00 H new ATOM 0 HG LEU A 56 54.391 8.584 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 54.490 8.433 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.446 9.795 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 56 53.858 10.093 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 56 52.495 7.617 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.713 9.215 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 56 51.974 8.377 3.196 1.00 0.00 H new ATOM 956 N ALA A 57 53.452 12.439 0.946 1.00 0.00 N ATOM 957 CA ALA A 57 53.165 13.778 0.493 1.00 0.00 C ATOM 958 C ALA A 57 52.856 14.631 1.693 1.00 0.00 C ATOM 959 O ALA A 57 51.821 14.463 2.337 1.00 0.00 O ATOM 960 CB ALA A 57 51.969 13.845 -0.473 1.00 0.00 C ATOM 0 H ALA A 57 52.719 11.763 0.733 1.00 0.00 H new ATOM 0 HA ALA A 57 54.042 14.133 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 57 51.804 14.879 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 57 52.178 13.237 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 57 51.077 13.467 0.026 1.00 0.00 H new ATOM 966 N HIS A 58 53.794 15.550 2.023 1.00 0.00 N ATOM 967 CA HIS A 58 53.710 16.417 3.173 1.00 0.00 C ATOM 968 C HIS A 58 53.375 17.782 2.646 1.00 0.00 C ATOM 969 O HIS A 58 54.036 18.771 2.961 1.00 0.00 O ATOM 970 CB HIS A 58 55.040 16.462 3.965 1.00 0.00 C ATOM 971 CG HIS A 58 55.490 15.098 4.420 1.00 0.00 C ATOM 972 ND1 HIS A 58 54.711 14.274 5.189 1.00 0.00 N ATOM 973 CD2 HIS A 58 56.647 14.437 4.178 1.00 0.00 C ATOM 974 CE1 HIS A 58 55.379 13.149 5.405 1.00 0.00 C ATOM 975 NE2 HIS A 58 56.558 13.222 4.803 1.00 0.00 N ATOM 0 H HIS A 58 54.640 15.695 1.471 1.00 0.00 H new ATOM 0 HA HIS A 58 52.954 16.049 3.867 1.00 0.00 H new ATOM 0 HB2 HIS A 58 55.815 16.907 3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 58 54.920 17.109 4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 58 57.484 14.800 3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 58 55.020 12.308 5.979 1.00 0.00 H new ATOM 0 HE2 HIS A 58 57.276 12.497 4.805 1.00 0.00 H new ATOM 984 N HIS A 59 52.322 17.839 1.804 1.00 0.00 N ATOM 985 CA HIS A 59 51.892 19.036 1.141 1.00 0.00 C ATOM 986 C HIS A 59 50.410 18.829 0.805 1.00 0.00 C ATOM 987 O HIS A 59 49.597 19.720 1.169 1.00 0.00 O ATOM 988 CB HIS A 59 52.699 19.345 -0.148 1.00 0.00 C ATOM 989 CG HIS A 59 52.951 18.166 -1.056 1.00 0.00 C ATOM 990 ND1 HIS A 59 52.099 17.788 -2.060 1.00 0.00 N ATOM 991 CD2 HIS A 59 53.999 17.308 -1.082 1.00 0.00 C ATOM 992 CE1 HIS A 59 52.618 16.733 -2.675 1.00 0.00 C ATOM 993 NE2 HIS A 59 53.772 16.423 -2.101 1.00 0.00 N ATOM 994 OXT HIS A 59 50.069 17.782 0.193 1.00 0.00 O ATOM 0 H HIS A 59 51.751 17.024 1.578 1.00 0.00 H new ATOM 0 HA HIS A 59 52.055 19.893 1.795 1.00 0.00 H new ATOM 0 HB2 HIS A 59 52.167 20.110 -0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 59 53.660 19.772 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 59 54.854 17.320 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 59 52.172 16.211 -3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 59 54.386 15.655 -2.373 1.00 0.00 H new TER 1003 HIS A 59