USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 562 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 52 SER OG : rot 23:sc= 1.32 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.111 X(o=1.2,f=1.2) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 135:sc= 0.265 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -173:sc= 1.23 USER MOD Single : A 19 GLN : amide:sc= -4.45! C(o=-4.5!,f=-5.7!) USER MOD Single : A 20 MET CE :methyl 147:sc= -2.85 (180deg=-6.84!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0763 X(o=-0.076,f=-0.083) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.0742 X(o=0.074,f=-0.003) USER MOD Single : A 38 TYR OH : rot -64:sc= -1.66! USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= -2.7! (180deg=-5.67!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.257 K(o=-0.26,f=-2!) USER MOD Single : A 65 GLN : amide:sc= -16.1! C(o=-16!,f=-9.7!) USER MOD Single : A 67 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.43) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -126:sc= 0 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.035 -20.580 7.182 1.00 0.00 N ATOM 2 CA ALA A 1 -21.808 -21.176 5.871 1.00 0.00 C ATOM 3 C ALA A 1 -20.976 -20.254 4.986 1.00 0.00 C ATOM 4 O ALA A 1 -21.431 -19.181 4.589 1.00 0.00 O ATOM 5 CB ALA A 1 -23.135 -21.499 5.202 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.603 -21.228 7.764 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.121 -20.407 7.648 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.542 -19.679 7.071 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.250 -22.102 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.951 -21.943 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.693 -22.202 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -23.714 -20.583 5.081 1.00 0.00 H new ATOM 11 N LEU A 2 -19.754 -20.679 4.681 1.00 0.00 N ATOM 12 CA LEU A 2 -18.858 -19.892 3.842 1.00 0.00 C ATOM 13 C LEU A 2 -18.815 -18.439 4.306 1.00 0.00 C ATOM 14 O LEU A 2 -19.294 -17.542 3.612 1.00 0.00 O ATOM 15 CB LEU A 2 -19.303 -19.960 2.381 1.00 0.00 C ATOM 16 CG LEU A 2 -19.766 -21.329 1.884 1.00 0.00 C ATOM 17 CD1 LEU A 2 -20.778 -21.176 0.760 1.00 0.00 C ATOM 18 CD2 LEU A 2 -18.576 -22.160 1.423 1.00 0.00 C ATOM 0 H LEU A 2 -19.362 -21.564 5.002 1.00 0.00 H new ATOM 0 HA LEU A 2 -17.856 -20.312 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -20.116 -19.249 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -18.475 -19.629 1.754 1.00 0.00 H new ATOM 0 HG LEU A 2 -20.249 -21.849 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -21.096 -22.162 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -21.643 -20.621 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -20.322 -20.635 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -18.925 -23.131 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -18.064 -21.643 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -17.886 -22.301 2.255 1.00 0.00 H new ATOM 30 N ASP A 3 -18.238 -18.214 5.481 1.00 0.00 N ATOM 31 CA ASP A 3 -18.129 -16.870 6.036 1.00 0.00 C ATOM 32 C ASP A 3 -17.968 -15.836 4.926 1.00 0.00 C ATOM 33 O ASP A 3 -16.868 -15.585 4.433 1.00 0.00 O ATOM 34 CB ASP A 3 -16.947 -16.789 7.002 1.00 0.00 C ATOM 35 CG ASP A 3 -17.247 -15.923 8.211 1.00 0.00 C ATOM 36 OD1 ASP A 3 -18.169 -16.273 8.977 1.00 0.00 O ATOM 37 OD2 ASP A 3 -16.558 -14.898 8.391 1.00 0.00 O ATOM 0 H ASP A 3 -17.838 -18.946 6.068 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.048 -16.652 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.683 -17.793 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -16.079 -16.388 6.478 1.00 0.00 H new ATOM 42 N PRO A 4 -19.089 -15.221 4.521 1.00 0.00 N ATOM 43 CA PRO A 4 -19.097 -14.205 3.465 1.00 0.00 C ATOM 44 C PRO A 4 -18.427 -12.907 3.903 1.00 0.00 C ATOM 45 O PRO A 4 -19.098 -11.905 4.153 1.00 0.00 O ATOM 46 CB PRO A 4 -20.588 -13.976 3.204 1.00 0.00 C ATOM 47 CG PRO A 4 -21.258 -14.356 4.481 1.00 0.00 C ATOM 48 CD PRO A 4 -20.435 -15.471 5.064 1.00 0.00 C ATOM 0 HA PRO A 4 -18.541 -14.528 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.790 -12.937 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.943 -14.586 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.306 -13.508 5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.283 -14.680 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.440 -15.447 6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -20.814 -16.449 4.765 1.00 0.00 H new ATOM 56 N LEU A 5 -17.103 -12.932 3.994 1.00 0.00 N ATOM 57 CA LEU A 5 -16.341 -11.757 4.403 1.00 0.00 C ATOM 58 C LEU A 5 -15.352 -11.345 3.318 1.00 0.00 C ATOM 59 O LEU A 5 -14.663 -12.185 2.739 1.00 0.00 O ATOM 60 CB LEU A 5 -15.596 -12.036 5.709 1.00 0.00 C ATOM 61 CG LEU A 5 -16.394 -11.821 6.997 1.00 0.00 C ATOM 62 CD1 LEU A 5 -15.600 -12.302 8.201 1.00 0.00 C ATOM 63 CD2 LEU A 5 -16.767 -10.354 7.152 1.00 0.00 C ATOM 0 H LEU A 5 -16.534 -13.753 3.790 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.042 -10.937 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.245 -13.068 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.712 -11.399 5.743 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.313 -12.405 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.182 -12.142 9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.382 -13.365 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.665 -11.745 8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.334 -10.218 8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.860 -9.750 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.374 -10.041 6.302 1.00 0.00 H new ATOM 75 N VAL A 6 -15.285 -10.044 3.047 1.00 0.00 N ATOM 76 CA VAL A 6 -14.378 -9.520 2.035 1.00 0.00 C ATOM 77 C VAL A 6 -14.595 -8.025 1.823 1.00 0.00 C ATOM 78 O VAL A 6 -15.610 -7.608 1.266 1.00 0.00 O ATOM 79 CB VAL A 6 -14.556 -10.249 0.689 1.00 0.00 C ATOM 80 CG1 VAL A 6 -16.027 -10.315 0.309 1.00 0.00 C ATOM 81 CG2 VAL A 6 -13.746 -9.564 -0.399 1.00 0.00 C ATOM 0 H VAL A 6 -15.849 -9.335 3.515 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.365 -9.689 2.400 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.187 -11.269 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -16.134 -10.833 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -16.578 -10.855 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -16.425 -9.304 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.884 -10.092 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.082 -8.533 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.690 -9.575 -0.128 1.00 0.00 H new ATOM 91 N SER A 7 -13.633 -7.224 2.271 1.00 0.00 N ATOM 92 CA SER A 7 -13.720 -5.775 2.133 1.00 0.00 C ATOM 93 C SER A 7 -12.482 -5.220 1.437 1.00 0.00 C ATOM 94 O SER A 7 -11.821 -5.920 0.669 1.00 0.00 O ATOM 95 CB SER A 7 -13.884 -5.121 3.507 1.00 0.00 C ATOM 96 OG SER A 7 -14.775 -5.861 4.322 1.00 0.00 O ATOM 0 H SER A 7 -12.785 -7.554 2.732 1.00 0.00 H new ATOM 0 HA SER A 7 -14.592 -5.544 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.913 -5.049 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.256 -4.104 3.387 1.00 0.00 H new ATOM 0 HG SER A 7 -14.396 -5.954 5.221 1.00 0.00 H new ATOM 102 N CYS A 8 -12.174 -3.957 1.710 1.00 0.00 N ATOM 103 CA CYS A 8 -11.015 -3.305 1.110 1.00 0.00 C ATOM 104 C CYS A 8 -11.081 -3.374 -0.413 1.00 0.00 C ATOM 105 O CYS A 8 -11.817 -4.181 -0.978 1.00 0.00 O ATOM 106 CB CYS A 8 -9.724 -3.958 1.606 1.00 0.00 C ATOM 107 SG CYS A 8 -8.252 -3.536 0.620 1.00 0.00 S ATOM 0 H CYS A 8 -12.711 -3.364 2.343 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.022 -2.257 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.553 -3.660 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.852 -5.040 1.603 1.00 0.00 H new ATOM 112 N LYS A 9 -10.305 -2.519 -1.071 1.00 0.00 N ATOM 113 CA LYS A 9 -10.272 -2.481 -2.528 1.00 0.00 C ATOM 114 C LYS A 9 -8.838 -2.372 -3.037 1.00 0.00 C ATOM 115 O LYS A 9 -8.531 -1.527 -3.880 1.00 0.00 O ATOM 116 CB LYS A 9 -11.100 -1.303 -3.047 1.00 0.00 C ATOM 117 CG LYS A 9 -12.023 -0.702 -2.002 1.00 0.00 C ATOM 118 CD LYS A 9 -12.658 0.588 -2.495 1.00 0.00 C ATOM 119 CE LYS A 9 -13.663 1.134 -1.492 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.957 0.400 -1.548 1.00 0.00 N ATOM 0 H LYS A 9 -9.690 -1.843 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.701 -3.411 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.426 -0.529 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.695 -1.635 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.804 -1.419 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.461 -0.506 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.881 1.331 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.155 0.409 -3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.248 1.062 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.836 2.192 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.615 0.802 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.366 0.489 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.796 -0.605 -1.333 1.00 0.00 H new ATOM 134 N LEU A 10 -7.966 -3.231 -2.523 1.00 0.00 N ATOM 135 CA LEU A 10 -6.564 -3.232 -2.927 1.00 0.00 C ATOM 136 C LEU A 10 -6.000 -4.648 -2.934 1.00 0.00 C ATOM 137 O LEU A 10 -5.191 -5.003 -3.792 1.00 0.00 O ATOM 138 CB LEU A 10 -5.742 -2.347 -1.988 1.00 0.00 C ATOM 139 CG LEU A 10 -5.916 -0.838 -2.162 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.377 -0.095 -0.949 1.00 0.00 C ATOM 141 CD2 LEU A 10 -5.223 -0.364 -3.431 1.00 0.00 C ATOM 0 H LEU A 10 -8.204 -3.936 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.503 -2.832 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.998 -2.606 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.688 -2.589 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.981 -0.622 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.509 0.978 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.918 -0.413 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.317 -0.317 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.357 0.712 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.159 -0.593 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.656 -0.872 -4.293 1.00 0.00 H new ATOM 153 N CYS A 11 -6.434 -5.457 -1.973 1.00 0.00 N ATOM 154 CA CYS A 11 -5.974 -6.837 -1.869 1.00 0.00 C ATOM 155 C CYS A 11 -7.153 -7.806 -1.900 1.00 0.00 C ATOM 156 O CYS A 11 -6.972 -9.014 -2.060 1.00 0.00 O ATOM 157 CB CYS A 11 -5.172 -7.032 -0.580 1.00 0.00 C ATOM 158 SG CYS A 11 -6.172 -6.938 0.940 1.00 0.00 S ATOM 0 H CYS A 11 -7.104 -5.181 -1.255 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.332 -7.047 -2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.676 -8.002 -0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.389 -6.275 -0.534 1.00 0.00 H new ATOM 163 N LEU A 12 -8.358 -7.269 -1.746 1.00 0.00 N ATOM 164 CA LEU A 12 -9.566 -8.086 -1.757 1.00 0.00 C ATOM 165 C LEU A 12 -9.446 -9.250 -0.780 1.00 0.00 C ATOM 166 O LEU A 12 -9.429 -10.413 -1.183 1.00 0.00 O ATOM 167 CB LEU A 12 -9.835 -8.614 -3.168 1.00 0.00 C ATOM 168 CG LEU A 12 -9.416 -7.699 -4.318 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.538 -6.239 -3.912 1.00 0.00 C ATOM 170 CD2 LEU A 12 -7.994 -8.014 -4.759 1.00 0.00 C ATOM 0 H LEU A 12 -8.525 -6.272 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.401 -7.460 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.319 -9.567 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.902 -8.816 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.085 -7.877 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.235 -5.603 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.572 -6.020 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.894 -6.045 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.712 -7.353 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.312 -7.865 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.938 -9.050 -5.093 1.00 0.00 H new ATOM 182 N GLY A 13 -9.363 -8.930 0.508 1.00 0.00 N ATOM 183 CA GLY A 13 -9.248 -9.960 1.523 1.00 0.00 C ATOM 184 C GLY A 13 -10.514 -10.112 2.342 1.00 0.00 C ATOM 185 O GLY A 13 -11.486 -10.714 1.886 1.00 0.00 O ATOM 0 H GLY A 13 -9.373 -7.975 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.012 -10.911 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.417 -9.721 2.186 1.00 0.00 H new ATOM 189 N GLU A 14 -10.502 -9.568 3.554 1.00 0.00 N ATOM 190 CA GLU A 14 -11.659 -9.648 4.439 1.00 0.00 C ATOM 191 C GLU A 14 -11.314 -9.136 5.834 1.00 0.00 C ATOM 192 O GLU A 14 -10.425 -9.666 6.500 1.00 0.00 O ATOM 193 CB GLU A 14 -12.163 -11.090 4.524 1.00 0.00 C ATOM 194 CG GLU A 14 -11.068 -12.130 4.351 1.00 0.00 C ATOM 195 CD GLU A 14 -11.402 -13.446 5.025 1.00 0.00 C ATOM 196 OE1 GLU A 14 -12.456 -14.030 4.696 1.00 0.00 O ATOM 197 OE2 GLU A 14 -10.611 -13.894 5.880 1.00 0.00 O ATOM 0 H GLU A 14 -9.705 -9.067 3.946 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.446 -9.018 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.646 -11.241 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.924 -11.245 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.901 -12.303 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.136 -11.742 4.761 1.00 0.00 H new ATOM 204 N TYR A 15 -12.023 -8.099 6.269 1.00 0.00 N ATOM 205 CA TYR A 15 -11.791 -7.512 7.583 1.00 0.00 C ATOM 206 C TYR A 15 -13.003 -6.707 8.042 1.00 0.00 C ATOM 207 O TYR A 15 -13.811 -6.240 7.239 1.00 0.00 O ATOM 208 CB TYR A 15 -10.552 -6.616 7.552 1.00 0.00 C ATOM 209 CG TYR A 15 -9.560 -6.991 6.474 1.00 0.00 C ATOM 210 CD1 TYR A 15 -8.567 -7.932 6.713 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.616 -6.401 5.216 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.659 -8.277 5.730 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.712 -6.741 4.228 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.736 -7.679 4.490 1.00 0.00 C ATOM 215 OH TYR A 15 -6.833 -8.019 3.509 1.00 0.00 O ATOM 0 H TYR A 15 -12.763 -7.648 5.730 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.627 -8.324 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.865 -5.583 7.402 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.057 -6.662 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.503 -8.402 7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.379 -5.665 5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.893 -9.011 5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.770 -6.275 3.256 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.954 -7.430 2.735 1.00 0.00 H new ATOM 225 N PRO A 16 -13.134 -6.540 9.366 1.00 0.00 N ATOM 226 CA PRO A 16 -14.243 -5.791 9.963 1.00 0.00 C ATOM 227 C PRO A 16 -14.149 -4.295 9.684 1.00 0.00 C ATOM 228 O PRO A 16 -13.078 -3.779 9.363 1.00 0.00 O ATOM 229 CB PRO A 16 -14.091 -6.066 11.461 1.00 0.00 C ATOM 230 CG PRO A 16 -12.646 -6.378 11.645 1.00 0.00 C ATOM 231 CD PRO A 16 -12.209 -7.068 10.382 1.00 0.00 C ATOM 0 HA PRO A 16 -15.207 -6.096 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.388 -5.201 12.054 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.719 -6.899 11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.069 -5.469 11.813 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.492 -7.019 12.513 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.172 -6.840 10.138 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.285 -8.152 10.470 1.00 0.00 H new ATOM 239 N VAL A 17 -15.276 -3.601 9.809 1.00 0.00 N ATOM 240 CA VAL A 17 -15.320 -2.164 9.572 1.00 0.00 C ATOM 241 C VAL A 17 -14.470 -1.412 10.591 1.00 0.00 C ATOM 242 O VAL A 17 -14.293 -0.199 10.492 1.00 0.00 O ATOM 243 CB VAL A 17 -16.763 -1.629 9.632 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.038 -0.978 10.979 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.015 -0.648 8.496 1.00 0.00 C ATOM 0 H VAL A 17 -16.171 -4.012 10.073 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.918 -1.996 8.573 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.447 -2.469 9.516 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.063 -0.607 11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.901 -1.712 11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.348 -0.148 11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.039 -0.280 8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.323 0.190 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.863 -1.151 7.541 1.00 0.00 H new ATOM 255 N GLU A 18 -13.945 -2.143 11.570 1.00 0.00 N ATOM 256 CA GLU A 18 -13.113 -1.545 12.607 1.00 0.00 C ATOM 257 C GLU A 18 -11.634 -1.796 12.329 1.00 0.00 C ATOM 258 O GLU A 18 -10.764 -1.236 12.995 1.00 0.00 O ATOM 259 CB GLU A 18 -13.488 -2.106 13.980 1.00 0.00 C ATOM 260 CG GLU A 18 -12.396 -1.944 15.024 1.00 0.00 C ATOM 261 CD GLU A 18 -12.057 -0.490 15.291 1.00 0.00 C ATOM 262 OE1 GLU A 18 -12.074 0.309 14.332 1.00 0.00 O ATOM 263 OE2 GLU A 18 -11.774 -0.152 16.461 1.00 0.00 O ATOM 0 H GLU A 18 -14.081 -3.149 11.666 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.288 -0.469 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.392 -1.608 14.332 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.727 -3.165 13.878 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.714 -2.416 15.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.500 -2.467 14.691 1.00 0.00 H new ATOM 270 N GLN A 19 -11.358 -2.643 11.343 1.00 0.00 N ATOM 271 CA GLN A 19 -9.984 -2.970 10.978 1.00 0.00 C ATOM 272 C GLN A 19 -9.554 -2.202 9.733 1.00 0.00 C ATOM 273 O GLN A 19 -8.386 -2.230 9.348 1.00 0.00 O ATOM 274 CB GLN A 19 -9.842 -4.474 10.739 1.00 0.00 C ATOM 275 CG GLN A 19 -9.435 -5.252 11.982 1.00 0.00 C ATOM 276 CD GLN A 19 -9.497 -6.752 11.777 1.00 0.00 C ATOM 277 OE1 GLN A 19 -10.156 -7.468 12.532 1.00 0.00 O ATOM 278 NE2 GLN A 19 -8.809 -7.239 10.751 1.00 0.00 N ATOM 0 H GLN A 19 -12.067 -3.115 10.782 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.336 -2.678 11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.790 -4.866 10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.101 -4.641 9.957 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.422 -4.970 12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.088 -4.975 12.810 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.276 -6.610 10.150 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.813 -8.242 10.564 1.00 0.00 H new ATOM 287 N MET A 20 -10.507 -1.519 9.106 1.00 0.00 N ATOM 288 CA MET A 20 -10.225 -0.743 7.905 1.00 0.00 C ATOM 289 C MET A 20 -10.046 0.734 8.240 1.00 0.00 C ATOM 290 O MET A 20 -10.282 1.158 9.372 1.00 0.00 O ATOM 291 CB MET A 20 -11.354 -0.914 6.886 1.00 0.00 C ATOM 292 CG MET A 20 -12.144 -2.200 7.064 1.00 0.00 C ATOM 293 SD MET A 20 -12.683 -2.907 5.495 1.00 0.00 S ATOM 294 CE MET A 20 -11.105 -3.264 4.726 1.00 0.00 C ATOM 0 H MET A 20 -11.480 -1.488 9.410 1.00 0.00 H new ATOM 0 HA MET A 20 -9.295 -1.114 7.473 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.034 -0.066 6.964 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.932 -0.893 5.881 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.531 -2.928 7.595 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.016 -2.003 7.688 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.195 -4.157 4.108 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.805 -2.421 4.104 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.354 -3.431 5.498 1.00 0.00 H new ATOM 304 N THR A 21 -9.627 1.515 7.249 1.00 0.00 N ATOM 305 CA THR A 21 -9.415 2.945 7.440 1.00 0.00 C ATOM 306 C THR A 21 -10.043 3.749 6.308 1.00 0.00 C ATOM 307 O THR A 21 -9.865 3.430 5.132 1.00 0.00 O ATOM 308 CB THR A 21 -7.915 3.283 7.526 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.371 2.792 8.756 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.693 4.785 7.431 1.00 0.00 C ATOM 0 H THR A 21 -9.428 1.181 6.306 1.00 0.00 H new ATOM 0 HA THR A 21 -9.894 3.214 8.381 1.00 0.00 H new ATOM 0 HB THR A 21 -7.409 2.803 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.417 3.010 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.626 5.000 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.081 5.151 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.212 5.282 8.250 1.00 0.00 H new ATOM 318 N THR A 22 -10.778 4.797 6.669 1.00 0.00 N ATOM 319 CA THR A 22 -11.432 5.648 5.684 1.00 0.00 C ATOM 320 C THR A 22 -10.447 6.639 5.073 1.00 0.00 C ATOM 321 O THR A 22 -9.370 6.875 5.620 1.00 0.00 O ATOM 322 CB THR A 22 -12.608 6.424 6.304 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.632 5.514 6.717 1.00 0.00 O ATOM 324 CG2 THR A 22 -13.181 7.423 5.311 1.00 0.00 C ATOM 0 H THR A 22 -10.935 5.076 7.637 1.00 0.00 H new ATOM 0 HA THR A 22 -11.813 4.991 4.902 1.00 0.00 H new ATOM 0 HB THR A 22 -12.237 6.970 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.376 6.016 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.011 7.959 5.772 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.406 8.133 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.537 6.894 4.427 1.00 0.00 H new ATOM 332 N ILE A 23 -10.826 7.219 3.939 1.00 0.00 N ATOM 333 CA ILE A 23 -9.976 8.187 3.257 1.00 0.00 C ATOM 334 C ILE A 23 -10.494 9.608 3.454 1.00 0.00 C ATOM 335 O ILE A 23 -11.466 10.019 2.820 1.00 0.00 O ATOM 336 CB ILE A 23 -9.885 7.892 1.748 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.389 6.463 1.516 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.967 8.895 1.066 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.004 6.207 2.070 1.00 0.00 C ATOM 0 H ILE A 23 -11.715 7.036 3.474 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.983 8.100 3.697 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.880 7.987 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.090 5.765 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.387 6.257 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.913 8.673 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.359 9.902 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.970 8.830 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.717 5.175 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.291 6.881 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.005 6.381 3.146 1.00 0.00 H new ATOM 351 N ALA A 24 -9.838 10.354 4.336 1.00 0.00 N ATOM 352 CA ALA A 24 -10.229 11.730 4.614 1.00 0.00 C ATOM 353 C ALA A 24 -10.161 12.586 3.353 1.00 0.00 C ATOM 354 O ALA A 24 -9.233 13.374 3.179 1.00 0.00 O ATOM 355 CB ALA A 24 -9.347 12.320 5.704 1.00 0.00 C ATOM 0 H ALA A 24 -9.033 10.028 4.871 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.262 11.725 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.651 13.348 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.450 11.730 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.307 12.305 5.378 1.00 0.00 H new ATOM 361 N GLN A 25 -11.149 12.424 2.480 1.00 0.00 N ATOM 362 CA GLN A 25 -11.199 13.181 1.235 1.00 0.00 C ATOM 363 C GLN A 25 -12.242 12.601 0.285 1.00 0.00 C ATOM 364 O GLN A 25 -13.186 13.285 -0.111 1.00 0.00 O ATOM 365 CB GLN A 25 -9.826 13.186 0.560 1.00 0.00 C ATOM 366 CG GLN A 25 -9.164 14.555 0.538 1.00 0.00 C ATOM 367 CD GLN A 25 -9.968 15.578 -0.240 1.00 0.00 C ATOM 368 OE1 GLN A 25 -10.082 15.496 -1.463 1.00 0.00 O ATOM 369 NE2 GLN A 25 -10.531 16.551 0.468 1.00 0.00 N ATOM 0 H GLN A 25 -11.925 11.776 2.611 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.482 14.206 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.173 12.484 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.932 12.826 -0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.029 14.906 1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.171 14.467 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.410 16.580 1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.084 17.269 -0.001 1.00 0.00 H new ATOM 378 N CYS A 26 -12.066 11.334 -0.076 1.00 0.00 N ATOM 379 CA CYS A 26 -12.990 10.660 -0.979 1.00 0.00 C ATOM 380 C CYS A 26 -13.969 9.784 -0.202 1.00 0.00 C ATOM 381 O CYS A 26 -15.080 9.520 -0.661 1.00 0.00 O ATOM 382 CB CYS A 26 -12.220 9.810 -1.991 1.00 0.00 C ATOM 383 SG CYS A 26 -11.139 8.553 -1.235 1.00 0.00 S ATOM 0 H CYS A 26 -11.291 10.753 0.244 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.557 11.423 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.933 9.313 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.614 10.467 -2.615 1.00 0.00 H new ATOM 388 N GLN A 27 -13.547 9.337 0.977 1.00 0.00 N ATOM 389 CA GLN A 27 -14.386 8.491 1.817 1.00 0.00 C ATOM 390 C GLN A 27 -14.436 7.066 1.277 1.00 0.00 C ATOM 391 O GLN A 27 -15.501 6.562 0.921 1.00 0.00 O ATOM 392 CB GLN A 27 -15.801 9.065 1.904 1.00 0.00 C ATOM 393 CG GLN A 27 -15.835 10.576 2.075 1.00 0.00 C ATOM 394 CD GLN A 27 -15.685 11.004 3.521 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.545 10.724 4.356 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.588 11.688 3.825 1.00 0.00 N ATOM 0 H GLN A 27 -12.630 9.547 1.371 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.949 8.467 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.349 8.797 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.322 8.601 2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.036 11.023 1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.776 10.961 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.901 11.898 3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.432 12.003 4.783 1.00 0.00 H new ATOM 405 N CYS A 28 -13.275 6.421 1.217 1.00 0.00 N ATOM 406 CA CYS A 28 -13.186 5.052 0.720 1.00 0.00 C ATOM 407 C CYS A 28 -12.869 4.082 1.853 1.00 0.00 C ATOM 408 O CYS A 28 -12.836 4.466 3.023 1.00 0.00 O ATOM 409 CB CYS A 28 -12.112 4.954 -0.366 1.00 0.00 C ATOM 410 SG CYS A 28 -12.611 5.658 -1.970 1.00 0.00 S ATOM 0 H CYS A 28 -12.384 6.824 1.506 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.152 4.781 0.294 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.213 5.465 -0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.848 3.906 -0.508 1.00 0.00 H new ATOM 415 N ILE A 29 -12.640 2.822 1.498 1.00 0.00 N ATOM 416 CA ILE A 29 -12.326 1.795 2.485 1.00 0.00 C ATOM 417 C ILE A 29 -11.133 0.956 2.043 1.00 0.00 C ATOM 418 O ILE A 29 -11.113 0.418 0.935 1.00 0.00 O ATOM 419 CB ILE A 29 -13.529 0.866 2.734 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.742 0.663 4.235 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.319 -0.470 2.037 1.00 0.00 C ATOM 422 CD1 ILE A 29 -15.101 0.100 4.582 1.00 0.00 C ATOM 0 H ILE A 29 -12.666 2.488 0.535 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.080 2.313 3.412 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.422 1.333 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.972 -0.008 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.613 1.618 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.177 -1.116 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.211 -0.308 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.418 -0.945 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.181 -0.017 5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.877 0.781 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.226 -0.870 4.101 1.00 0.00 H new ATOM 434 N PHE A 30 -10.137 0.845 2.917 1.00 0.00 N ATOM 435 CA PHE A 30 -8.940 0.069 2.618 1.00 0.00 C ATOM 436 C PHE A 30 -8.299 -0.457 3.899 1.00 0.00 C ATOM 437 O PHE A 30 -8.034 0.302 4.832 1.00 0.00 O ATOM 438 CB PHE A 30 -7.933 0.923 1.845 1.00 0.00 C ATOM 439 CG PHE A 30 -8.456 1.421 0.528 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.400 0.621 -0.602 1.00 0.00 C ATOM 441 CD2 PHE A 30 -9.004 2.690 0.419 1.00 0.00 C ATOM 442 CE1 PHE A 30 -8.881 1.076 -1.816 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.487 3.150 -0.791 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.424 2.343 -1.910 1.00 0.00 C ATOM 0 H PHE A 30 -10.136 1.283 3.838 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.233 -0.782 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.646 1.777 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.030 0.337 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.976 -0.370 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.054 3.326 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.832 0.442 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.913 4.140 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.799 2.702 -2.857 1.00 0.00 H new ATOM 454 N CYS A 31 -8.052 -1.762 3.937 1.00 0.00 N ATOM 455 CA CYS A 31 -7.443 -2.393 5.103 1.00 0.00 C ATOM 456 C CYS A 31 -6.104 -1.743 5.434 1.00 0.00 C ATOM 457 O CYS A 31 -5.228 -1.625 4.577 1.00 0.00 O ATOM 458 CB CYS A 31 -7.250 -3.890 4.856 1.00 0.00 C ATOM 459 SG CYS A 31 -5.863 -4.286 3.742 1.00 0.00 S ATOM 0 H CYS A 31 -8.264 -2.404 3.173 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.113 -2.256 5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.088 -4.387 5.812 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.168 -4.300 4.435 1.00 0.00 H new ATOM 464 N THR A 32 -5.950 -1.322 6.686 1.00 0.00 N ATOM 465 CA THR A 32 -4.719 -0.683 7.132 1.00 0.00 C ATOM 466 C THR A 32 -3.507 -1.266 6.416 1.00 0.00 C ATOM 467 O THR A 32 -2.669 -0.531 5.891 1.00 0.00 O ATOM 468 CB THR A 32 -4.525 -0.836 8.653 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.761 -0.587 9.331 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.459 0.121 9.162 1.00 0.00 C ATOM 0 H THR A 32 -6.664 -1.413 7.409 1.00 0.00 H new ATOM 0 HA THR A 32 -4.807 0.376 6.889 1.00 0.00 H new ATOM 0 HB THR A 32 -4.199 -1.856 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.630 -0.688 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.340 -0.006 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.512 -0.091 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.759 1.147 8.948 1.00 0.00 H new ATOM 478 N LEU A 33 -3.418 -2.591 6.395 1.00 0.00 N ATOM 479 CA LEU A 33 -2.306 -3.274 5.742 1.00 0.00 C ATOM 480 C LEU A 33 -1.992 -2.633 4.394 1.00 0.00 C ATOM 481 O LEU A 33 -0.839 -2.307 4.103 1.00 0.00 O ATOM 482 CB LEU A 33 -2.634 -4.755 5.551 1.00 0.00 C ATOM 483 CG LEU A 33 -2.277 -5.678 6.717 1.00 0.00 C ATOM 484 CD1 LEU A 33 -0.793 -6.008 6.701 1.00 0.00 C ATOM 485 CD2 LEU A 33 -2.669 -5.039 8.041 1.00 0.00 C ATOM 0 H LEU A 33 -4.103 -3.214 6.823 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.428 -3.182 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.702 -4.847 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.114 -5.110 4.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.836 -6.607 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.557 -6.666 7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.541 -6.507 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.215 -5.088 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.408 -5.709 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.137 -4.095 8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.743 -4.854 8.052 1.00 0.00 H new ATOM 497 N CYS A 34 -3.022 -2.453 3.575 1.00 0.00 N ATOM 498 CA CYS A 34 -2.856 -1.849 2.258 1.00 0.00 C ATOM 499 C CYS A 34 -2.659 -0.340 2.372 1.00 0.00 C ATOM 500 O CYS A 34 -1.610 0.189 2.003 1.00 0.00 O ATOM 501 CB CYS A 34 -4.072 -2.150 1.380 1.00 0.00 C ATOM 502 SG CYS A 34 -4.285 -3.916 0.984 1.00 0.00 S ATOM 0 H CYS A 34 -3.981 -2.717 3.800 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.967 -2.280 1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.969 -1.791 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.983 -1.588 0.450 1.00 0.00 H new ATOM 507 N LEU A 35 -3.673 0.346 2.887 1.00 0.00 N ATOM 508 CA LEU A 35 -3.612 1.795 3.051 1.00 0.00 C ATOM 509 C LEU A 35 -2.337 2.207 3.780 1.00 0.00 C ATOM 510 O LEU A 35 -1.936 3.370 3.743 1.00 0.00 O ATOM 511 CB LEU A 35 -4.837 2.294 3.819 1.00 0.00 C ATOM 512 CG LEU A 35 -5.492 3.567 3.283 1.00 0.00 C ATOM 513 CD1 LEU A 35 -6.836 3.799 3.958 1.00 0.00 C ATOM 514 CD2 LEU A 35 -4.577 4.764 3.488 1.00 0.00 C ATOM 0 H LEU A 35 -4.547 -0.077 3.198 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.604 2.248 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.584 1.500 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.546 2.468 4.855 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.661 3.444 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.288 4.709 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.493 2.952 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.690 3.902 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.059 5.661 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.376 4.891 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.638 4.599 2.959 1.00 0.00 H new ATOM 526 N LYS A 36 -1.703 1.244 4.441 1.00 0.00 N ATOM 527 CA LYS A 36 -0.472 1.505 5.178 1.00 0.00 C ATOM 528 C LYS A 36 0.750 1.252 4.300 1.00 0.00 C ATOM 529 O LYS A 36 1.442 2.188 3.900 1.00 0.00 O ATOM 530 CB LYS A 36 -0.405 0.626 6.428 1.00 0.00 C ATOM 531 CG LYS A 36 0.878 0.794 7.223 1.00 0.00 C ATOM 532 CD LYS A 36 1.844 -0.351 6.971 1.00 0.00 C ATOM 533 CE LYS A 36 2.674 -0.662 8.207 1.00 0.00 C ATOM 534 NZ LYS A 36 3.431 -1.936 8.060 1.00 0.00 N ATOM 0 H LYS A 36 -2.021 0.276 4.481 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.473 2.553 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.254 0.859 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.505 -0.419 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.353 1.738 6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.644 0.846 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.287 -1.239 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.505 -0.095 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.371 0.155 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.020 -0.726 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.984 -2.113 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.765 -2.720 7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.074 -1.866 7.245 1.00 0.00 H new ATOM 548 N GLN A 37 1.009 -0.018 4.006 1.00 0.00 N ATOM 549 CA GLN A 37 2.146 -0.393 3.175 1.00 0.00 C ATOM 550 C GLN A 37 2.343 0.604 2.038 1.00 0.00 C ATOM 551 O GLN A 37 3.452 0.772 1.530 1.00 0.00 O ATOM 552 CB GLN A 37 1.949 -1.799 2.606 1.00 0.00 C ATOM 553 CG GLN A 37 2.928 -2.822 3.161 1.00 0.00 C ATOM 554 CD GLN A 37 2.350 -4.223 3.196 1.00 0.00 C ATOM 555 OE1 GLN A 37 2.880 -5.142 2.571 1.00 0.00 O ATOM 556 NE2 GLN A 37 1.257 -4.394 3.931 1.00 0.00 N ATOM 0 H GLN A 37 0.447 -0.804 4.331 1.00 0.00 H new ATOM 0 HA GLN A 37 3.038 -0.384 3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.932 -2.129 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.052 -1.761 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.832 -2.821 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.222 -2.529 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.851 -3.604 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.824 -5.315 3.994 1.00 0.00 H new ATOM 565 N TYR A 38 1.259 1.266 1.644 1.00 0.00 N ATOM 566 CA TYR A 38 1.312 2.245 0.565 1.00 0.00 C ATOM 567 C TYR A 38 1.794 3.597 1.081 1.00 0.00 C ATOM 568 O TYR A 38 2.892 4.045 0.754 1.00 0.00 O ATOM 569 CB TYR A 38 -0.065 2.394 -0.083 1.00 0.00 C ATOM 570 CG TYR A 38 -0.357 3.796 -0.567 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.532 4.444 -0.210 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.541 4.472 -1.384 1.00 0.00 C ATOM 573 CE1 TYR A 38 -1.805 5.725 -0.650 1.00 0.00 C ATOM 574 CE2 TYR A 38 0.278 5.754 -1.828 1.00 0.00 C ATOM 575 CZ TYR A 38 -0.896 6.375 -1.459 1.00 0.00 C ATOM 576 OH TYR A 38 -1.163 7.651 -1.900 1.00 0.00 O ATOM 0 H TYR A 38 0.334 1.142 2.056 1.00 0.00 H new ATOM 0 HA TYR A 38 2.021 1.888 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.138 1.705 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.830 2.100 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.245 3.938 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.460 3.987 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.724 6.214 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.988 6.266 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.956 7.639 -2.476 1.00 0.00 H new ATOM 586 N VAL A 39 0.961 4.244 1.891 1.00 0.00 N ATOM 587 CA VAL A 39 1.300 5.546 2.455 1.00 0.00 C ATOM 588 C VAL A 39 2.552 5.461 3.320 1.00 0.00 C ATOM 589 O VAL A 39 3.478 6.257 3.169 1.00 0.00 O ATOM 590 CB VAL A 39 0.142 6.110 3.301 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.158 6.077 2.514 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.008 5.335 4.603 1.00 0.00 C ATOM 0 H VAL A 39 0.047 3.888 2.171 1.00 0.00 H new ATOM 0 HA VAL A 39 1.487 6.216 1.616 1.00 0.00 H new ATOM 0 HB VAL A 39 0.364 7.149 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.965 6.479 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.053 6.680 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.390 5.048 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.814 5.746 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.192 4.286 4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.934 5.416 5.172 1.00 0.00 H new ATOM 602 N GLU A 40 2.574 4.488 4.226 1.00 0.00 N ATOM 603 CA GLU A 40 3.714 4.299 5.116 1.00 0.00 C ATOM 604 C GLU A 40 5.020 4.655 4.411 1.00 0.00 C ATOM 605 O GLU A 40 5.860 5.370 4.958 1.00 0.00 O ATOM 606 CB GLU A 40 3.767 2.853 5.613 1.00 0.00 C ATOM 607 CG GLU A 40 4.437 2.700 6.968 1.00 0.00 C ATOM 608 CD GLU A 40 5.732 1.914 6.893 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.353 1.897 5.809 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.124 1.316 7.917 1.00 0.00 O ATOM 0 H GLU A 40 1.816 3.819 4.363 1.00 0.00 H new ATOM 0 HA GLU A 40 3.590 4.965 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.752 2.461 5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.301 2.246 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.639 3.688 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.752 2.200 7.653 1.00 0.00 H new ATOM 617 N LEU A 41 5.184 4.149 3.192 1.00 0.00 N ATOM 618 CA LEU A 41 6.387 4.413 2.411 1.00 0.00 C ATOM 619 C LEU A 41 6.411 5.855 1.917 1.00 0.00 C ATOM 620 O LEU A 41 7.455 6.508 1.926 1.00 0.00 O ATOM 621 CB LEU A 41 6.466 3.453 1.222 1.00 0.00 C ATOM 622 CG LEU A 41 7.277 2.176 1.442 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.594 2.492 2.134 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.475 1.168 2.254 1.00 0.00 C ATOM 0 H LEU A 41 4.499 3.555 2.725 1.00 0.00 H new ATOM 0 HA LEU A 41 7.251 4.256 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.451 3.171 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.894 3.990 0.375 1.00 0.00 H new ATOM 0 HG LEU A 41 7.497 1.737 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.157 1.571 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.175 3.177 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.395 2.955 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.068 0.265 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.224 1.599 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.558 0.917 1.720 1.00 0.00 H new ATOM 636 N LEU A 42 5.254 6.348 1.489 1.00 0.00 N ATOM 637 CA LEU A 42 5.142 7.716 0.994 1.00 0.00 C ATOM 638 C LEU A 42 5.132 8.714 2.147 1.00 0.00 C ATOM 639 O LEU A 42 6.059 9.509 2.302 1.00 0.00 O ATOM 640 CB LEU A 42 3.871 7.873 0.157 1.00 0.00 C ATOM 641 CG LEU A 42 3.887 7.206 -1.219 1.00 0.00 C ATOM 642 CD1 LEU A 42 3.230 5.835 -1.154 1.00 0.00 C ATOM 643 CD2 LEU A 42 3.190 8.085 -2.246 1.00 0.00 C ATOM 0 H LEU A 42 4.381 5.821 1.475 1.00 0.00 H new ATOM 0 HA LEU A 42 6.010 7.922 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.033 7.468 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.679 8.937 0.021 1.00 0.00 H new ATOM 0 HG LEU A 42 4.924 7.076 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.250 5.375 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.772 5.205 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.196 5.942 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.211 7.594 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.155 8.247 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.703 9.044 -2.312 1.00 0.00 H new ATOM 655 N ILE A 43 4.078 8.665 2.956 1.00 0.00 N ATOM 656 CA ILE A 43 3.950 9.562 4.098 1.00 0.00 C ATOM 657 C ILE A 43 5.297 9.787 4.775 1.00 0.00 C ATOM 658 O ILE A 43 5.537 10.835 5.374 1.00 0.00 O ATOM 659 CB ILE A 43 2.951 9.014 5.134 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.740 9.942 5.248 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.628 8.850 6.487 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.787 9.839 4.077 1.00 0.00 C ATOM 0 H ILE A 43 3.301 8.014 2.841 1.00 0.00 H new ATOM 0 HA ILE A 43 3.578 10.512 3.713 1.00 0.00 H new ATOM 0 HB ILE A 43 2.605 8.035 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.200 9.711 6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.088 10.971 5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.909 8.462 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.462 8.154 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.999 9.817 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.047 10.525 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.311 10.099 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.410 8.819 4.004 1.00 0.00 H new ATOM 674 N LYS A 44 6.176 8.795 4.674 1.00 0.00 N ATOM 675 CA LYS A 44 7.502 8.884 5.274 1.00 0.00 C ATOM 676 C LYS A 44 8.407 9.805 4.461 1.00 0.00 C ATOM 677 O LYS A 44 9.134 10.625 5.020 1.00 0.00 O ATOM 678 CB LYS A 44 8.132 7.493 5.377 1.00 0.00 C ATOM 679 CG LYS A 44 8.249 6.982 6.802 1.00 0.00 C ATOM 680 CD LYS A 44 6.924 7.076 7.539 1.00 0.00 C ATOM 681 CE LYS A 44 6.214 5.731 7.584 1.00 0.00 C ATOM 682 NZ LYS A 44 6.163 5.177 8.965 1.00 0.00 N ATOM 0 H LYS A 44 5.994 7.920 4.182 1.00 0.00 H new ATOM 0 HA LYS A 44 7.393 9.302 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.536 6.790 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.124 7.519 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.588 5.946 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.005 7.559 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.096 7.432 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.285 7.810 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.200 5.843 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.727 5.027 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.400 4.165 8.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.847 5.679 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.206 5.300 9.353 1.00 0.00 H new ATOM 696 N GLU A 45 8.353 9.663 3.140 1.00 0.00 N ATOM 697 CA GLU A 45 9.168 10.484 2.251 1.00 0.00 C ATOM 698 C GLU A 45 8.548 11.866 2.067 1.00 0.00 C ATOM 699 O GLU A 45 9.196 12.885 2.302 1.00 0.00 O ATOM 700 CB GLU A 45 9.329 9.798 0.893 1.00 0.00 C ATOM 701 CG GLU A 45 10.740 9.876 0.335 1.00 0.00 C ATOM 702 CD GLU A 45 11.353 8.508 0.107 1.00 0.00 C ATOM 703 OE1 GLU A 45 11.242 7.651 1.008 1.00 0.00 O ATOM 704 OE2 GLU A 45 11.943 8.294 -0.972 1.00 0.00 O ATOM 0 H GLU A 45 7.755 8.989 2.663 1.00 0.00 H new ATOM 0 HA GLU A 45 10.151 10.604 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.042 8.751 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.640 10.253 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.725 10.425 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.368 10.442 1.023 1.00 0.00 H new ATOM 711 N GLY A 46 7.288 11.891 1.642 1.00 0.00 N ATOM 712 CA GLY A 46 6.601 13.152 1.432 1.00 0.00 C ATOM 713 C GLY A 46 7.369 14.083 0.514 1.00 0.00 C ATOM 714 O GLY A 46 7.753 15.182 0.913 1.00 0.00 O ATOM 0 H GLY A 46 6.731 11.061 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.616 12.959 1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.444 13.642 2.393 1.00 0.00 H new ATOM 718 N LEU A 47 7.592 13.644 -0.719 1.00 0.00 N ATOM 719 CA LEU A 47 8.319 14.445 -1.697 1.00 0.00 C ATOM 720 C LEU A 47 7.368 15.341 -2.484 1.00 0.00 C ATOM 721 O LEU A 47 7.738 16.435 -2.906 1.00 0.00 O ATOM 722 CB LEU A 47 9.094 13.537 -2.656 1.00 0.00 C ATOM 723 CG LEU A 47 8.264 12.504 -3.418 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.950 12.125 -4.721 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.027 11.271 -2.559 1.00 0.00 C ATOM 0 H LEU A 47 7.280 12.737 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 47 9.023 15.079 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.611 14.165 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.860 13.010 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 47 7.297 12.947 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.345 11.389 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.067 13.013 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.931 11.701 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.434 10.547 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.985 10.826 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.492 11.556 -1.653 1.00 0.00 H new ATOM 737 N GLU A 48 6.141 14.868 -2.674 1.00 0.00 N ATOM 738 CA GLU A 48 5.136 15.628 -3.408 1.00 0.00 C ATOM 739 C GLU A 48 3.977 14.730 -3.832 1.00 0.00 C ATOM 740 O GLU A 48 2.871 15.204 -4.092 1.00 0.00 O ATOM 741 CB GLU A 48 5.762 16.288 -4.639 1.00 0.00 C ATOM 742 CG GLU A 48 6.783 15.413 -5.345 1.00 0.00 C ATOM 743 CD GLU A 48 6.794 15.625 -6.846 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.250 16.700 -7.289 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.349 14.716 -7.578 1.00 0.00 O ATOM 0 H GLU A 48 5.819 13.963 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 48 4.749 16.403 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.971 16.549 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.241 17.220 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.775 15.623 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.568 14.366 -5.131 1.00 0.00 H new ATOM 752 N THR A 49 4.239 13.429 -3.901 1.00 0.00 N ATOM 753 CA THR A 49 3.221 12.463 -4.295 1.00 0.00 C ATOM 754 C THR A 49 1.847 12.869 -3.773 1.00 0.00 C ATOM 755 O THR A 49 0.826 12.576 -4.393 1.00 0.00 O ATOM 756 CB THR A 49 3.556 11.050 -3.781 1.00 0.00 C ATOM 757 OG1 THR A 49 4.732 10.558 -4.435 1.00 0.00 O ATOM 758 CG2 THR A 49 2.397 10.096 -4.024 1.00 0.00 C ATOM 0 H THR A 49 5.149 13.019 -3.689 1.00 0.00 H new ATOM 0 HA THR A 49 3.204 12.450 -5.385 1.00 0.00 H new ATOM 0 HB THR A 49 3.735 11.110 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.940 9.660 -4.102 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.658 9.105 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.512 10.458 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.190 10.040 -5.093 1.00 0.00 H new ATOM 766 N ALA A 50 1.831 13.543 -2.628 1.00 0.00 N ATOM 767 CA ALA A 50 0.582 13.991 -2.024 1.00 0.00 C ATOM 768 C ALA A 50 -0.253 12.808 -1.547 1.00 0.00 C ATOM 769 O ALA A 50 -1.370 12.981 -1.059 1.00 0.00 O ATOM 770 CB ALA A 50 -0.210 14.835 -3.012 1.00 0.00 C ATOM 0 H ALA A 50 2.668 13.791 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 50 0.827 14.603 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.140 15.162 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.378 15.706 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.436 14.242 -3.898 1.00 0.00 H new ATOM 776 N ILE A 51 0.295 11.606 -1.694 1.00 0.00 N ATOM 777 CA ILE A 51 -0.400 10.394 -1.277 1.00 0.00 C ATOM 778 C ILE A 51 -1.892 10.486 -1.579 1.00 0.00 C ATOM 779 O ILE A 51 -2.671 10.980 -0.765 1.00 0.00 O ATOM 780 CB ILE A 51 -0.207 10.122 0.226 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.265 9.838 0.531 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.080 8.959 0.670 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.187 10.985 0.181 1.00 0.00 C ATOM 0 H ILE A 51 1.218 11.446 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 51 0.034 9.570 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.508 11.010 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.370 9.609 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.577 8.951 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.932 8.779 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.127 9.198 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.807 8.065 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.214 10.713 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.111 11.201 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.901 11.869 0.751 1.00 0.00 H new ATOM 795 N SER A 52 -2.284 10.002 -2.754 1.00 0.00 N ATOM 796 CA SER A 52 -3.682 10.031 -3.165 1.00 0.00 C ATOM 797 C SER A 52 -4.324 8.656 -3.003 1.00 0.00 C ATOM 798 O SER A 52 -3.632 7.640 -2.922 1.00 0.00 O ATOM 799 CB SER A 52 -3.799 10.493 -4.618 1.00 0.00 C ATOM 800 OG SER A 52 -5.138 10.830 -4.939 1.00 0.00 O ATOM 0 H SER A 52 -1.652 9.585 -3.438 1.00 0.00 H new ATOM 0 HA SER A 52 -4.209 10.737 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.154 11.356 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.450 9.703 -5.283 1.00 0.00 H new ATOM 0 HG SER A 52 -5.627 11.044 -4.117 1.00 0.00 H new ATOM 806 N CYS A 53 -5.651 8.631 -2.957 1.00 0.00 N ATOM 807 CA CYS A 53 -6.389 7.383 -2.806 1.00 0.00 C ATOM 808 C CYS A 53 -5.675 6.239 -3.519 1.00 0.00 C ATOM 809 O CYS A 53 -5.205 6.376 -4.649 1.00 0.00 O ATOM 810 CB CYS A 53 -7.809 7.535 -3.355 1.00 0.00 C ATOM 811 SG CYS A 53 -8.826 6.030 -3.212 1.00 0.00 S ATOM 0 H CYS A 53 -6.238 9.462 -3.022 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.442 7.148 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.306 8.348 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.752 7.824 -4.404 1.00 0.00 H new ATOM 816 N PRO A 54 -5.590 5.081 -2.846 1.00 0.00 N ATOM 817 CA PRO A 54 -4.936 3.891 -3.396 1.00 0.00 C ATOM 818 C PRO A 54 -5.725 3.276 -4.548 1.00 0.00 C ATOM 819 O PRO A 54 -5.345 2.238 -5.088 1.00 0.00 O ATOM 820 CB PRO A 54 -4.890 2.930 -2.207 1.00 0.00 C ATOM 821 CG PRO A 54 -6.017 3.356 -1.331 1.00 0.00 C ATOM 822 CD PRO A 54 -6.127 4.847 -1.496 1.00 0.00 C ATOM 0 HA PRO A 54 -3.956 4.121 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.009 1.896 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.936 2.993 -1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.945 2.862 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.825 3.091 -0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.159 5.186 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.553 5.379 -0.737 1.00 0.00 H new ATOM 830 N ASP A 55 -6.824 3.925 -4.918 1.00 0.00 N ATOM 831 CA ASP A 55 -7.666 3.442 -6.006 1.00 0.00 C ATOM 832 C ASP A 55 -7.590 4.379 -7.208 1.00 0.00 C ATOM 833 O ASP A 55 -8.278 5.398 -7.258 1.00 0.00 O ATOM 834 CB ASP A 55 -9.116 3.309 -5.538 1.00 0.00 C ATOM 835 CG ASP A 55 -10.048 2.879 -6.655 1.00 0.00 C ATOM 836 OD1 ASP A 55 -9.925 1.725 -7.119 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.900 3.694 -7.063 1.00 0.00 O ATOM 0 H ASP A 55 -7.152 4.786 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.299 2.461 -6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.168 2.584 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.453 4.264 -5.134 1.00 0.00 H new ATOM 842 N ALA A 56 -6.748 4.027 -8.175 1.00 0.00 N ATOM 843 CA ALA A 56 -6.582 4.835 -9.376 1.00 0.00 C ATOM 844 C ALA A 56 -7.901 4.977 -10.128 1.00 0.00 C ATOM 845 O ALA A 56 -8.013 5.770 -11.062 1.00 0.00 O ATOM 846 CB ALA A 56 -5.520 4.227 -10.279 1.00 0.00 C ATOM 0 H ALA A 56 -6.170 3.187 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.258 5.830 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.407 4.841 -11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.570 4.184 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.821 3.220 -10.567 1.00 0.00 H new ATOM 852 N ALA A 57 -8.898 4.201 -9.716 1.00 0.00 N ATOM 853 CA ALA A 57 -10.211 4.241 -10.350 1.00 0.00 C ATOM 854 C ALA A 57 -11.257 4.833 -9.412 1.00 0.00 C ATOM 855 O ALA A 57 -12.444 4.525 -9.516 1.00 0.00 O ATOM 856 CB ALA A 57 -10.625 2.845 -10.793 1.00 0.00 C ATOM 0 H ALA A 57 -8.822 3.537 -8.946 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.144 4.884 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.607 2.889 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.897 2.459 -11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.668 2.186 -9.926 1.00 0.00 H new ATOM 862 N CYS A 58 -10.808 5.683 -8.495 1.00 0.00 N ATOM 863 CA CYS A 58 -11.704 6.318 -7.536 1.00 0.00 C ATOM 864 C CYS A 58 -12.527 7.416 -8.205 1.00 0.00 C ATOM 865 O CYS A 58 -12.012 8.236 -8.966 1.00 0.00 O ATOM 866 CB CYS A 58 -10.906 6.904 -6.369 1.00 0.00 C ATOM 867 SG CYS A 58 -11.937 7.591 -5.034 1.00 0.00 S ATOM 0 H CYS A 58 -9.828 5.948 -8.396 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.385 5.557 -7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.265 6.126 -5.955 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.251 7.689 -6.748 1.00 0.00 H new ATOM 872 N PRO A 59 -13.836 7.434 -7.915 1.00 0.00 N ATOM 873 CA PRO A 59 -14.758 8.425 -8.477 1.00 0.00 C ATOM 874 C PRO A 59 -14.516 9.824 -7.920 1.00 0.00 C ATOM 875 O PRO A 59 -15.074 10.805 -8.411 1.00 0.00 O ATOM 876 CB PRO A 59 -16.135 7.912 -8.051 1.00 0.00 C ATOM 877 CG PRO A 59 -15.876 7.105 -6.826 1.00 0.00 C ATOM 878 CD PRO A 59 -14.519 6.487 -7.016 1.00 0.00 C ATOM 0 HA PRO A 59 -14.640 8.524 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.818 8.736 -7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.592 7.307 -8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.898 7.731 -5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.639 6.338 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.990 6.379 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.588 5.493 -7.457 1.00 0.00 H new ATOM 886 N LYS A 60 -13.679 9.908 -6.890 1.00 0.00 N ATOM 887 CA LYS A 60 -13.360 11.187 -6.266 1.00 0.00 C ATOM 888 C LYS A 60 -11.853 11.426 -6.255 1.00 0.00 C ATOM 889 O LYS A 60 -11.398 12.554 -6.067 1.00 0.00 O ATOM 890 CB LYS A 60 -13.904 11.229 -4.837 1.00 0.00 C ATOM 891 CG LYS A 60 -15.419 11.142 -4.759 1.00 0.00 C ATOM 892 CD LYS A 60 -16.024 12.432 -4.230 1.00 0.00 C ATOM 893 CE LYS A 60 -17.488 12.562 -4.624 1.00 0.00 C ATOM 894 NZ LYS A 60 -17.899 13.987 -4.764 1.00 0.00 N ATOM 0 H LYS A 60 -13.210 9.105 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.831 11.977 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.472 10.406 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.577 12.153 -4.360 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.824 10.928 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.704 10.313 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.934 12.459 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.465 13.284 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.659 12.040 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.111 12.076 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.902 14.034 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.760 14.479 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.322 14.444 -5.498 1.00 0.00 H new ATOM 908 N GLN A 61 -11.087 10.360 -6.460 1.00 0.00 N ATOM 909 CA GLN A 61 -9.633 10.456 -6.474 1.00 0.00 C ATOM 910 C GLN A 61 -9.147 11.511 -5.485 1.00 0.00 C ATOM 911 O GLN A 61 -8.377 12.402 -5.841 1.00 0.00 O ATOM 912 CB GLN A 61 -9.137 10.792 -7.882 1.00 0.00 C ATOM 913 CG GLN A 61 -9.011 9.578 -8.788 1.00 0.00 C ATOM 914 CD GLN A 61 -7.901 9.725 -9.809 1.00 0.00 C ATOM 915 OE1 GLN A 61 -6.953 10.486 -9.608 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.011 8.997 -10.914 1.00 0.00 N ATOM 0 H GLN A 61 -11.449 9.420 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.227 9.490 -6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.822 11.506 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.167 11.283 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.825 8.693 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.956 9.416 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.813 8.379 -11.040 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.294 9.055 -11.637 1.00 0.00 H new ATOM 925 N GLY A 62 -9.603 11.403 -4.241 1.00 0.00 N ATOM 926 CA GLY A 62 -9.205 12.354 -3.220 1.00 0.00 C ATOM 927 C GLY A 62 -7.759 12.182 -2.798 1.00 0.00 C ATOM 928 O GLY A 62 -7.095 11.230 -3.210 1.00 0.00 O ATOM 0 H GLY A 62 -10.241 10.674 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.353 13.367 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.850 12.239 -2.349 1.00 0.00 H new ATOM 932 N HIS A 63 -7.270 13.105 -1.977 1.00 0.00 N ATOM 933 CA HIS A 63 -5.892 13.051 -1.500 1.00 0.00 C ATOM 934 C HIS A 63 -5.845 12.738 -0.008 1.00 0.00 C ATOM 935 O HIS A 63 -6.861 12.815 0.686 1.00 0.00 O ATOM 936 CB HIS A 63 -5.181 14.375 -1.779 1.00 0.00 C ATOM 937 CG HIS A 63 -4.864 14.592 -3.227 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.479 15.559 -3.994 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.991 13.961 -4.045 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.997 15.513 -5.224 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.093 14.552 -5.282 1.00 0.00 N ATOM 0 H HIS A 63 -7.807 13.899 -1.628 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.379 12.253 -2.036 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.806 15.195 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.256 14.409 -1.204 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.336 13.145 -3.777 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.292 16.153 -6.043 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.558 14.291 -6.110 1.00 0.00 H new ATOM 949 N LEU A 64 -4.662 12.386 0.482 1.00 0.00 N ATOM 950 CA LEU A 64 -4.483 12.062 1.893 1.00 0.00 C ATOM 951 C LEU A 64 -3.516 13.036 2.557 1.00 0.00 C ATOM 952 O LEU A 64 -2.724 13.696 1.884 1.00 0.00 O ATOM 953 CB LEU A 64 -3.967 10.630 2.046 1.00 0.00 C ATOM 954 CG LEU A 64 -5.003 9.520 1.865 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.335 8.235 1.402 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.769 9.289 3.160 1.00 0.00 C ATOM 0 H LEU A 64 -3.812 12.318 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.452 12.148 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.167 10.474 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.525 10.528 3.037 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.711 9.833 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.089 7.457 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.833 8.408 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.603 7.917 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.502 8.496 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.073 8.999 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.281 10.207 3.449 1.00 0.00 H new ATOM 968 N GLN A 65 -3.585 13.120 3.881 1.00 0.00 N ATOM 969 CA GLN A 65 -2.713 14.013 4.637 1.00 0.00 C ATOM 970 C GLN A 65 -1.388 13.332 4.964 1.00 0.00 C ATOM 971 O GLN A 65 -1.281 12.107 4.916 1.00 0.00 O ATOM 972 CB GLN A 65 -3.402 14.461 5.926 1.00 0.00 C ATOM 973 CG GLN A 65 -4.876 14.093 5.989 1.00 0.00 C ATOM 974 CD GLN A 65 -5.102 12.667 6.451 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.178 12.323 6.940 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.085 11.826 6.297 1.00 0.00 N ATOM 0 H GLN A 65 -4.235 12.581 4.453 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.508 14.888 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.888 14.014 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.302 15.542 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.388 14.776 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.322 14.227 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.210 12.153 5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.179 10.853 6.589 1.00 0.00 H new ATOM 985 N GLU A 66 -0.382 14.135 5.297 1.00 0.00 N ATOM 986 CA GLU A 66 0.937 13.609 5.630 1.00 0.00 C ATOM 987 C GLU A 66 1.059 13.363 7.131 1.00 0.00 C ATOM 988 O GLU A 66 1.808 12.490 7.568 1.00 0.00 O ATOM 989 CB GLU A 66 2.028 14.578 5.170 1.00 0.00 C ATOM 990 CG GLU A 66 2.808 14.086 3.962 1.00 0.00 C ATOM 991 CD GLU A 66 4.308 14.129 4.180 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.835 13.217 4.852 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.954 15.071 3.677 1.00 0.00 O ATOM 0 H GLU A 66 -0.455 15.151 5.343 1.00 0.00 H new ATOM 0 HA GLU A 66 1.064 12.659 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.572 15.539 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.721 14.750 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.507 13.064 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.553 14.697 3.096 1.00 0.00 H new ATOM 1000 N ASN A 67 0.318 14.139 7.915 1.00 0.00 N ATOM 1001 CA ASN A 67 0.344 14.006 9.367 1.00 0.00 C ATOM 1002 C ASN A 67 -0.700 12.999 9.841 1.00 0.00 C ATOM 1003 O ASN A 67 -0.370 12.013 10.498 1.00 0.00 O ATOM 1004 CB ASN A 67 0.097 15.363 10.029 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.048 16.483 9.016 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.934 17.114 8.627 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.280 16.732 8.584 1.00 0.00 N ATOM 0 H ASN A 67 -0.308 14.866 7.569 1.00 0.00 H new ATOM 0 HA ASN A 67 1.330 13.642 9.655 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.806 15.308 10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.923 15.591 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.441 17.473 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.064 16.182 8.935 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.959 13.256 9.501 1.00 0.00 N ATOM 1015 CA GLU A 68 -3.051 12.372 9.892 1.00 0.00 C ATOM 1016 C GLU A 68 -2.692 10.913 9.625 1.00 0.00 C ATOM 1017 O GLU A 68 -2.829 10.059 10.501 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.329 12.740 9.137 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.434 13.272 10.034 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.401 12.189 10.473 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.555 12.527 10.812 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -6.005 11.005 10.477 1.00 0.00 O ATOM 0 H GLU A 68 -2.248 14.068 8.956 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.220 12.497 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.092 13.490 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.694 11.860 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.990 13.736 10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.983 14.051 9.505 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.230 10.636 8.410 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.851 9.282 8.028 1.00 0.00 C ATOM 1031 C ILE A 69 -0.694 8.773 8.882 1.00 0.00 C ATOM 1032 O ILE A 69 -0.865 7.868 9.698 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.449 9.208 6.543 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.685 9.344 5.651 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.723 7.902 6.255 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.685 8.397 4.470 1.00 0.00 C ATOM 0 H ILE A 69 -2.109 11.332 7.674 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.725 8.652 8.192 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.772 10.033 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.577 9.164 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.748 10.369 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.445 7.865 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.175 7.842 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.378 7.063 6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.590 8.549 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.811 8.591 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.654 7.368 4.829 1.00 0.00 H new ATOM 1048 N GLU A 70 0.481 9.363 8.688 1.00 0.00 N ATOM 1049 CA GLU A 70 1.665 8.970 9.442 1.00 0.00 C ATOM 1050 C GLU A 70 1.331 8.778 10.919 1.00 0.00 C ATOM 1051 O GLU A 70 2.036 8.069 11.639 1.00 0.00 O ATOM 1052 CB GLU A 70 2.767 10.021 9.290 1.00 0.00 C ATOM 1053 CG GLU A 70 2.702 11.125 10.332 1.00 0.00 C ATOM 1054 CD GLU A 70 3.865 12.093 10.229 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.960 11.760 10.730 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.682 13.183 9.647 1.00 0.00 O ATOM 0 H GLU A 70 0.638 10.114 8.016 1.00 0.00 H new ATOM 0 HA GLU A 70 2.020 8.021 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.738 9.529 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.699 10.465 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.767 11.673 10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.691 10.680 11.327 1.00 0.00 H new ATOM 1063 N CYS A 71 0.253 9.414 11.364 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.174 9.315 12.754 1.00 0.00 C ATOM 1065 C CYS A 71 -0.678 7.910 13.069 1.00 0.00 C ATOM 1066 O CYS A 71 -0.382 7.356 14.128 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.270 10.341 13.047 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.488 10.706 14.805 1.00 0.00 S ATOM 0 H CYS A 71 -0.341 10.004 10.782 1.00 0.00 H new ATOM 0 HA CYS A 71 0.687 9.523 13.389 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.036 11.267 12.521 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.214 9.974 12.643 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.435 11.585 14.952 1.00 0.00 H new ATOM 1074 N MET A 72 -1.442 7.341 12.144 1.00 0.00 N ATOM 1075 CA MET A 72 -1.989 6.000 12.324 1.00 0.00 C ATOM 1076 C MET A 72 -0.933 4.939 12.031 1.00 0.00 C ATOM 1077 O MET A 72 -1.228 3.745 12.009 1.00 0.00 O ATOM 1078 CB MET A 72 -3.201 5.794 11.414 1.00 0.00 C ATOM 1079 CG MET A 72 -2.846 5.246 10.041 1.00 0.00 C ATOM 1080 SD MET A 72 -3.931 5.868 8.743 1.00 0.00 S ATOM 1081 CE MET A 72 -3.496 4.780 7.388 1.00 0.00 C ATOM 0 H MET A 72 -1.697 7.786 11.262 1.00 0.00 H new ATOM 0 HA MET A 72 -2.303 5.899 13.363 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.897 5.110 11.900 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.720 6.745 11.293 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.815 5.509 9.804 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.900 4.158 10.064 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.215 5.375 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.657 4.149 7.683 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.351 4.152 7.136 1.00 0.00 H new ATOM 1091 N VAL A 73 0.300 5.383 11.806 1.00 0.00 N ATOM 1092 CA VAL A 73 1.400 4.471 11.515 1.00 0.00 C ATOM 1093 C VAL A 73 2.657 4.866 12.280 1.00 0.00 C ATOM 1094 O VAL A 73 3.059 4.189 13.226 1.00 0.00 O ATOM 1095 CB VAL A 73 1.719 4.439 10.009 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.012 3.269 9.339 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.328 5.755 9.353 1.00 0.00 C ATOM 0 H VAL A 73 0.562 6.369 11.820 1.00 0.00 H new ATOM 0 HA VAL A 73 1.081 3.478 11.833 1.00 0.00 H new ATOM 0 HB VAL A 73 2.793 4.303 9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.249 3.262 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.346 2.335 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.065 3.371 9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.561 5.714 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.259 5.924 9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.884 6.571 9.815 1.00 0.00 H new ATOM 1107 N ALA A 74 3.275 5.967 11.866 1.00 0.00 N ATOM 1108 CA ALA A 74 4.486 6.454 12.514 1.00 0.00 C ATOM 1109 C ALA A 74 4.153 7.439 13.631 1.00 0.00 C ATOM 1110 O ALA A 74 4.793 8.481 13.763 1.00 0.00 O ATOM 1111 CB ALA A 74 5.407 7.104 11.492 1.00 0.00 C ATOM 0 H ALA A 74 2.956 6.539 11.084 1.00 0.00 H new ATOM 0 HA ALA A 74 4.999 5.601 12.958 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.307 7.463 11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.680 6.373 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.894 7.943 11.021 1.00 0.00 H new ATOM 1117 N ALA A 75 3.149 7.100 14.431 1.00 0.00 N ATOM 1118 CA ALA A 75 2.732 7.953 15.538 1.00 0.00 C ATOM 1119 C ALA A 75 3.938 8.558 16.248 1.00 0.00 C ATOM 1120 O ALA A 75 4.153 9.764 16.148 1.00 0.00 O ATOM 1121 CB ALA A 75 1.878 7.166 16.519 1.00 0.00 C ATOM 0 H ALA A 75 2.608 6.241 14.334 1.00 0.00 H new ATOM 0 HA ALA A 75 2.136 8.770 15.131 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.574 7.816 17.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.992 6.788 16.009 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.454 6.329 16.913 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.454 -4.703 1.531 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -10.991 6.976 -2.997 1.00 0.00 ZN