USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 14 ASN : amide:sc= -2.31! X(o=-4.9!,f=-5.4) USER MOD Set 1.2: A 17 MET CE :methyl 135:sc= -2.62 (180deg=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.0575 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.263 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -3.85! C(o=-3.9!,f=-4.6!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.3) USER MOD Single : A 54 SER OG : rot -85:sc= 0.535 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 165:sc= 0 (180deg=-0.305) USER MOD Single : A 63 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-1.7) USER MOD Single : A 64 THR OG1 : rot 160:sc= -0.352 USER MOD Single : A 66 THR OG1 : rot 13:sc= 0.584 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.378 K(o=-0.38,f=-2.8!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.435 K(o=0.43,f=-5.4!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0462 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.734 -5.271 20.890 1.00 0.00 N ATOM 2 CA GLY A 1 -19.712 -4.480 20.168 1.00 0.00 C ATOM 3 C GLY A 1 -19.776 -4.838 18.696 1.00 0.00 C ATOM 4 O GLY A 1 -19.261 -4.108 17.850 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.729 -4.988 21.891 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.980 -6.279 20.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.791 -5.114 20.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.695 -4.625 20.617 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.467 -3.423 20.271 1.00 0.00 H new ATOM 8 N SER A 2 -20.407 -5.967 18.391 1.00 0.00 N ATOM 9 CA SER A 2 -20.532 -6.425 17.012 1.00 0.00 C ATOM 10 C SER A 2 -21.966 -6.268 16.515 1.00 0.00 C ATOM 11 O SER A 2 -22.919 -6.424 17.278 1.00 0.00 O ATOM 12 CB SER A 2 -20.097 -7.887 16.897 1.00 0.00 C ATOM 13 OG SER A 2 -18.691 -7.991 16.757 1.00 0.00 O ATOM 0 H SER A 2 -20.840 -6.582 19.080 1.00 0.00 H new ATOM 0 HA SER A 2 -19.882 -5.810 16.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.419 -8.436 17.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.586 -8.349 16.039 1.00 0.00 H new ATOM 0 HG SER A 2 -18.438 -8.935 16.687 1.00 0.00 H new ATOM 19 N SER A 3 -22.110 -5.958 15.230 1.00 0.00 N ATOM 20 CA SER A 3 -23.426 -5.776 14.631 1.00 0.00 C ATOM 21 C SER A 3 -23.449 -6.305 13.200 1.00 0.00 C ATOM 22 O SER A 3 -22.426 -6.732 12.667 1.00 0.00 O ATOM 23 CB SER A 3 -23.817 -4.297 14.648 1.00 0.00 C ATOM 24 OG SER A 3 -24.295 -3.910 15.925 1.00 0.00 O ATOM 0 H SER A 3 -21.331 -5.828 14.584 1.00 0.00 H new ATOM 0 HA SER A 3 -24.148 -6.341 15.220 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.955 -3.687 14.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.585 -4.112 13.897 1.00 0.00 H new ATOM 0 HG SER A 3 -24.081 -4.608 16.579 1.00 0.00 H new ATOM 30 N GLY A 4 -24.626 -6.271 12.581 1.00 0.00 N ATOM 31 CA GLY A 4 -24.761 -6.748 11.218 1.00 0.00 C ATOM 32 C GLY A 4 -25.577 -5.808 10.353 1.00 0.00 C ATOM 33 O GLY A 4 -26.707 -5.463 10.694 1.00 0.00 O ATOM 0 H GLY A 4 -25.488 -5.921 13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.771 -6.872 10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.232 -7.731 11.225 1.00 0.00 H new ATOM 37 N SER A 5 -25.001 -5.391 9.229 1.00 0.00 N ATOM 38 CA SER A 5 -25.680 -4.481 8.315 1.00 0.00 C ATOM 39 C SER A 5 -25.682 -5.037 6.895 1.00 0.00 C ATOM 40 O SER A 5 -24.663 -5.013 6.206 1.00 0.00 O ATOM 41 CB SER A 5 -25.006 -3.107 8.336 1.00 0.00 C ATOM 42 OG SER A 5 -25.838 -2.122 7.749 1.00 0.00 O ATOM 0 H SER A 5 -24.066 -5.669 8.930 1.00 0.00 H new ATOM 0 HA SER A 5 -26.713 -4.377 8.647 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.775 -2.827 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.059 -3.155 7.799 1.00 0.00 H new ATOM 0 HG SER A 5 -25.386 -1.253 7.776 1.00 0.00 H new ATOM 48 N SER A 6 -26.836 -5.540 6.465 1.00 0.00 N ATOM 49 CA SER A 6 -26.971 -6.107 5.128 1.00 0.00 C ATOM 50 C SER A 6 -28.369 -5.859 4.571 1.00 0.00 C ATOM 51 O SER A 6 -29.370 -6.193 5.204 1.00 0.00 O ATOM 52 CB SER A 6 -26.681 -7.609 5.157 1.00 0.00 C ATOM 53 OG SER A 6 -27.551 -8.280 6.051 1.00 0.00 O ATOM 0 H SER A 6 -27.690 -5.566 7.023 1.00 0.00 H new ATOM 0 HA SER A 6 -26.247 -5.616 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.794 -8.024 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.647 -7.777 5.457 1.00 0.00 H new ATOM 0 HG SER A 6 -28.402 -7.796 6.105 1.00 0.00 H new ATOM 59 N GLY A 7 -28.431 -5.269 3.381 1.00 0.00 N ATOM 60 CA GLY A 7 -29.709 -4.984 2.759 1.00 0.00 C ATOM 61 C GLY A 7 -30.067 -5.991 1.682 1.00 0.00 C ATOM 62 O GLY A 7 -29.436 -7.039 1.548 1.00 0.00 O ATOM 0 H GLY A 7 -27.617 -4.983 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.488 -4.980 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.683 -3.985 2.324 1.00 0.00 H new ATOM 66 N PRO A 8 -31.102 -5.673 0.890 1.00 0.00 N ATOM 67 CA PRO A 8 -31.566 -6.545 -0.194 1.00 0.00 C ATOM 68 C PRO A 8 -30.575 -6.609 -1.350 1.00 0.00 C ATOM 69 O PRO A 8 -30.783 -7.340 -2.319 1.00 0.00 O ATOM 70 CB PRO A 8 -32.872 -5.886 -0.644 1.00 0.00 C ATOM 71 CG PRO A 8 -32.724 -4.453 -0.265 1.00 0.00 C ATOM 72 CD PRO A 8 -31.899 -4.440 0.993 1.00 0.00 C ATOM 0 HA PRO A 8 -31.685 -7.577 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -33.022 -5.998 -1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -33.733 -6.338 -0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -32.235 -3.888 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -33.697 -3.991 -0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -31.265 -3.555 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -32.526 -4.440 1.885 1.00 0.00 H new ATOM 80 N ARG A 9 -29.497 -5.839 -1.243 1.00 0.00 N ATOM 81 CA ARG A 9 -28.473 -5.808 -2.281 1.00 0.00 C ATOM 82 C ARG A 9 -27.319 -6.745 -1.936 1.00 0.00 C ATOM 83 O ARG A 9 -26.933 -6.865 -0.774 1.00 0.00 O ATOM 84 CB ARG A 9 -27.949 -4.383 -2.467 1.00 0.00 C ATOM 85 CG ARG A 9 -26.977 -4.238 -3.628 1.00 0.00 C ATOM 86 CD ARG A 9 -26.618 -2.782 -3.876 1.00 0.00 C ATOM 87 NE ARG A 9 -25.848 -2.610 -5.104 1.00 0.00 N ATOM 88 CZ ARG A 9 -25.064 -1.563 -5.340 1.00 0.00 C ATOM 89 NH1 ARG A 9 -24.948 -0.601 -4.434 1.00 0.00 N ATOM 90 NH2 ARG A 9 -24.394 -1.478 -6.482 1.00 0.00 N ATOM 0 H ARG A 9 -29.310 -5.228 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 9 -28.926 -6.146 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -28.793 -3.712 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -27.456 -4.064 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -26.071 -4.807 -3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -27.419 -4.663 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -27.530 -2.189 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -26.043 -2.401 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.915 -3.333 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -25.461 -0.664 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -24.346 0.202 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.480 -2.217 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.793 -0.674 -6.662 1.00 0.00 H new ATOM 104 N GLU A 10 -26.776 -7.406 -2.953 1.00 0.00 N ATOM 105 CA GLU A 10 -25.667 -8.332 -2.755 1.00 0.00 C ATOM 106 C GLU A 10 -24.513 -7.652 -2.026 1.00 0.00 C ATOM 107 O GLU A 10 -23.967 -6.645 -2.476 1.00 0.00 O ATOM 108 CB GLU A 10 -25.184 -8.879 -4.100 1.00 0.00 C ATOM 109 CG GLU A 10 -26.108 -9.925 -4.700 1.00 0.00 C ATOM 110 CD GLU A 10 -25.771 -10.242 -6.144 1.00 0.00 C ATOM 111 OE1 GLU A 10 -24.639 -10.702 -6.401 1.00 0.00 O ATOM 112 OE2 GLU A 10 -26.639 -10.029 -7.017 1.00 0.00 O ATOM 0 H GLU A 10 -27.085 -7.318 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.024 -9.159 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.081 -8.052 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.193 -9.314 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.049 -10.838 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.138 -9.572 -4.640 1.00 0.00 H new ATOM 119 N PRO A 11 -24.131 -8.215 -0.869 1.00 0.00 N ATOM 120 CA PRO A 11 -23.038 -7.680 -0.052 1.00 0.00 C ATOM 121 C PRO A 11 -21.675 -7.872 -0.709 1.00 0.00 C ATOM 122 O PRO A 11 -21.328 -8.975 -1.132 1.00 0.00 O ATOM 123 CB PRO A 11 -23.128 -8.496 1.240 1.00 0.00 C ATOM 124 CG PRO A 11 -23.783 -9.773 0.836 1.00 0.00 C ATOM 125 CD PRO A 11 -24.735 -9.417 -0.271 1.00 0.00 C ATOM 0 HA PRO A 11 -23.132 -6.605 0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -22.140 -8.675 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.712 -7.974 1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -23.045 -10.500 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.312 -10.223 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.826 -10.224 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.736 -9.216 0.110 1.00 0.00 H new ATOM 133 N VAL A 12 -20.906 -6.791 -0.791 1.00 0.00 N ATOM 134 CA VAL A 12 -19.580 -6.840 -1.395 1.00 0.00 C ATOM 135 C VAL A 12 -18.518 -7.204 -0.362 1.00 0.00 C ATOM 136 O VAL A 12 -18.566 -6.745 0.780 1.00 0.00 O ATOM 137 CB VAL A 12 -19.209 -5.495 -2.046 1.00 0.00 C ATOM 138 CG1 VAL A 12 -20.137 -5.192 -3.211 1.00 0.00 C ATOM 139 CG2 VAL A 12 -19.249 -4.377 -1.016 1.00 0.00 C ATOM 0 H VAL A 12 -21.179 -5.870 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.612 -7.610 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.192 -5.566 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.859 -4.238 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.053 -5.981 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -21.165 -5.140 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -18.984 -3.433 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -20.253 -4.303 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.539 -4.592 -0.218 1.00 0.00 H new ATOM 149 N VAL A 13 -17.560 -8.029 -0.771 1.00 0.00 N ATOM 150 CA VAL A 13 -16.485 -8.453 0.118 1.00 0.00 C ATOM 151 C VAL A 13 -15.159 -7.814 -0.280 1.00 0.00 C ATOM 152 O VAL A 13 -14.867 -7.652 -1.464 1.00 0.00 O ATOM 153 CB VAL A 13 -16.326 -9.984 0.117 1.00 0.00 C ATOM 154 CG1 VAL A 13 -14.910 -10.374 0.514 1.00 0.00 C ATOM 155 CG2 VAL A 13 -17.345 -10.626 1.046 1.00 0.00 C ATOM 0 H VAL A 13 -17.506 -8.417 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.756 -8.125 1.121 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.508 -10.350 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.816 -11.460 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.202 -9.945 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.696 -9.997 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.218 -11.709 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.197 -10.256 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -18.351 -10.375 0.711 1.00 0.00 H new ATOM 165 N ASN A 14 -14.358 -7.454 0.718 1.00 0.00 N ATOM 166 CA ASN A 14 -13.062 -6.833 0.472 1.00 0.00 C ATOM 167 C ASN A 14 -11.959 -7.885 0.402 1.00 0.00 C ATOM 168 O ASN A 14 -12.198 -9.067 0.648 1.00 0.00 O ATOM 169 CB ASN A 14 -12.743 -5.816 1.570 1.00 0.00 C ATOM 170 CG ASN A 14 -13.851 -4.796 1.753 1.00 0.00 C ATOM 171 OD1 ASN A 14 -14.573 -4.820 2.749 1.00 0.00 O ATOM 172 ND2 ASN A 14 -13.988 -3.894 0.789 1.00 0.00 N ATOM 0 H ASN A 14 -14.584 -7.582 1.704 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.110 -6.318 -0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.577 -6.341 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.815 -5.300 1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.715 -3.182 0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.366 -3.913 -0.019 1.00 0.00 H new ATOM 179 N ASP A 15 -10.752 -7.446 0.064 1.00 0.00 N ATOM 180 CA ASP A 15 -9.611 -8.350 -0.036 1.00 0.00 C ATOM 181 C ASP A 15 -8.492 -7.919 0.907 1.00 0.00 C ATOM 182 O ASP A 15 -7.994 -8.718 1.699 1.00 0.00 O ATOM 183 CB ASP A 15 -9.094 -8.393 -1.475 1.00 0.00 C ATOM 184 CG ASP A 15 -8.471 -9.730 -1.825 1.00 0.00 C ATOM 185 OD1 ASP A 15 -8.976 -10.765 -1.341 1.00 0.00 O ATOM 186 OD2 ASP A 15 -7.478 -9.743 -2.584 1.00 0.00 O ATOM 0 H ASP A 15 -10.538 -6.471 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.941 -9.347 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.917 -8.188 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.356 -7.603 -1.617 1.00 0.00 H new ATOM 191 N GLU A 16 -8.100 -6.652 0.812 1.00 0.00 N ATOM 192 CA GLU A 16 -7.039 -6.116 1.657 1.00 0.00 C ATOM 193 C GLU A 16 -7.454 -4.786 2.276 1.00 0.00 C ATOM 194 O GLU A 16 -7.912 -3.881 1.579 1.00 0.00 O ATOM 195 CB GLU A 16 -5.755 -5.934 0.844 1.00 0.00 C ATOM 196 CG GLU A 16 -5.893 -4.944 -0.299 1.00 0.00 C ATOM 197 CD GLU A 16 -4.670 -4.910 -1.195 1.00 0.00 C ATOM 198 OE1 GLU A 16 -4.141 -5.994 -1.517 1.00 0.00 O ATOM 199 OE2 GLU A 16 -4.242 -3.799 -1.571 1.00 0.00 O ATOM 0 H GLU A 16 -8.501 -5.978 0.159 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.855 -6.828 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.959 -5.600 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.450 -6.900 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.768 -5.203 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.068 -3.948 0.108 1.00 0.00 H new ATOM 206 N MET A 17 -7.293 -4.675 3.591 1.00 0.00 N ATOM 207 CA MET A 17 -7.651 -3.454 4.305 1.00 0.00 C ATOM 208 C MET A 17 -6.542 -3.043 5.268 1.00 0.00 C ATOM 209 O MET A 17 -5.856 -3.891 5.840 1.00 0.00 O ATOM 210 CB MET A 17 -8.960 -3.653 5.072 1.00 0.00 C ATOM 211 CG MET A 17 -10.098 -4.172 4.207 1.00 0.00 C ATOM 212 SD MET A 17 -11.689 -4.129 5.055 1.00 0.00 S ATOM 213 CE MET A 17 -12.494 -2.779 4.197 1.00 0.00 C ATOM 0 H MET A 17 -6.917 -5.415 4.184 1.00 0.00 H new ATOM 0 HA MET A 17 -7.784 -2.659 3.572 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.789 -4.352 5.891 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.258 -2.704 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.159 -3.575 3.297 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.880 -5.196 3.903 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.518 -3.062 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.504 -1.896 4.836 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.951 -2.556 3.278 1.00 0.00 H new ATOM 223 N CYS A 18 -6.370 -1.737 5.442 1.00 0.00 N ATOM 224 CA CYS A 18 -5.343 -1.212 6.334 1.00 0.00 C ATOM 225 C CYS A 18 -5.442 -1.855 7.714 1.00 0.00 C ATOM 226 O CYS A 18 -6.525 -2.242 8.154 1.00 0.00 O ATOM 227 CB CYS A 18 -5.474 0.307 6.457 1.00 0.00 C ATOM 228 SG CYS A 18 -4.105 1.100 7.361 1.00 0.00 S ATOM 0 H CYS A 18 -6.929 -1.022 4.977 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.369 -1.453 5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.533 0.738 5.458 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.412 0.541 6.961 1.00 0.00 H new ATOM 233 N ASP A 19 -4.306 -1.966 8.392 1.00 0.00 N ATOM 234 CA ASP A 19 -4.263 -2.561 9.723 1.00 0.00 C ATOM 235 C ASP A 19 -4.586 -1.522 10.793 1.00 0.00 C ATOM 236 O ASP A 19 -4.586 -1.825 11.987 1.00 0.00 O ATOM 237 CB ASP A 19 -2.887 -3.174 9.988 1.00 0.00 C ATOM 238 CG ASP A 19 -2.913 -4.195 11.108 1.00 0.00 C ATOM 239 OD1 ASP A 19 -3.426 -5.310 10.880 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.422 -3.878 12.212 1.00 0.00 O ATOM 0 H ASP A 19 -3.401 -1.652 8.042 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.016 -3.348 9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.522 -3.648 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.182 -2.382 10.239 1.00 0.00 H new ATOM 245 N VAL A 20 -4.860 -0.297 10.357 1.00 0.00 N ATOM 246 CA VAL A 20 -5.184 0.787 11.277 1.00 0.00 C ATOM 247 C VAL A 20 -6.493 1.465 10.887 1.00 0.00 C ATOM 248 O VAL A 20 -7.191 2.024 11.735 1.00 0.00 O ATOM 249 CB VAL A 20 -4.064 1.843 11.318 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.358 2.893 12.377 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.717 1.182 11.569 1.00 0.00 C ATOM 0 H VAL A 20 -4.864 -0.030 9.373 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.289 0.342 12.266 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.023 2.341 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.555 3.630 12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.302 3.388 12.147 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.428 2.415 13.354 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.937 1.943 11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.742 0.656 12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.505 0.473 10.769 1.00 0.00 H new ATOM 261 N CYS A 21 -6.821 1.411 9.601 1.00 0.00 N ATOM 262 CA CYS A 21 -8.046 2.019 9.098 1.00 0.00 C ATOM 263 C CYS A 21 -9.041 0.951 8.653 1.00 0.00 C ATOM 264 O CYS A 21 -10.248 1.191 8.614 1.00 0.00 O ATOM 265 CB CYS A 21 -7.733 2.957 7.931 1.00 0.00 C ATOM 266 SG CYS A 21 -6.454 4.202 8.299 1.00 0.00 S ATOM 0 H CYS A 21 -6.255 0.952 8.888 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.495 2.594 9.908 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.410 2.362 7.077 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.649 3.469 7.635 1.00 0.00 H new ATOM 271 N GLU A 22 -8.526 -0.228 8.320 1.00 0.00 N ATOM 272 CA GLU A 22 -9.370 -1.332 7.878 1.00 0.00 C ATOM 273 C GLU A 22 -10.218 -0.922 6.678 1.00 0.00 C ATOM 274 O GLU A 22 -11.399 -1.259 6.594 1.00 0.00 O ATOM 275 CB GLU A 22 -10.274 -1.801 9.019 1.00 0.00 C ATOM 276 CG GLU A 22 -9.587 -2.746 9.991 1.00 0.00 C ATOM 277 CD GLU A 22 -10.475 -3.127 11.160 1.00 0.00 C ATOM 278 OE1 GLU A 22 -11.454 -3.870 10.942 1.00 0.00 O ATOM 279 OE2 GLU A 22 -10.190 -2.682 12.291 1.00 0.00 O ATOM 0 H GLU A 22 -7.529 -0.443 8.348 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.720 -2.154 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.636 -0.930 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.148 -2.298 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.283 -3.649 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.678 -2.276 10.368 1.00 0.00 H new ATOM 286 N VAL A 23 -9.607 -0.192 5.750 1.00 0.00 N ATOM 287 CA VAL A 23 -10.304 0.264 4.554 1.00 0.00 C ATOM 288 C VAL A 23 -9.438 0.089 3.312 1.00 0.00 C ATOM 289 O VAL A 23 -8.213 0.189 3.377 1.00 0.00 O ATOM 290 CB VAL A 23 -10.716 1.744 4.674 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.644 1.946 5.862 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.485 2.630 4.792 1.00 0.00 C ATOM 0 H VAL A 23 -8.630 0.096 5.804 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.200 -0.349 4.458 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.256 2.028 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.924 2.997 5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.540 1.340 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.134 1.646 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.793 3.672 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.917 2.347 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.861 2.506 3.907 1.00 0.00 H new ATOM 302 N TRP A 24 -10.083 -0.175 2.181 1.00 0.00 N ATOM 303 CA TRP A 24 -9.371 -0.365 0.922 1.00 0.00 C ATOM 304 C TRP A 24 -9.817 0.660 -0.115 1.00 0.00 C ATOM 305 O TRP A 24 -10.715 1.464 0.136 1.00 0.00 O ATOM 306 CB TRP A 24 -9.602 -1.779 0.390 1.00 0.00 C ATOM 307 CG TRP A 24 -10.816 -1.897 -0.480 1.00 0.00 C ATOM 308 CD1 TRP A 24 -12.112 -2.015 -0.066 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.847 -1.908 -1.912 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.947 -2.101 -1.154 1.00 0.00 N ATOM 311 CE2 TRP A 24 -12.195 -2.036 -2.298 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.868 -1.821 -2.904 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -12.586 -2.080 -3.633 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -10.257 -1.865 -4.230 1.00 0.00 C ATOM 315 CH2 TRP A 24 -11.605 -1.992 -4.585 1.00 0.00 C ATOM 0 H TRP A 24 -11.097 -0.262 2.110 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.307 -0.225 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.726 -2.093 -0.177 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.700 -2.464 1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.433 -2.037 0.965 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.962 -2.198 -1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.826 -1.721 -2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.625 -2.180 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.508 -1.800 -5.005 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.877 -2.021 -5.630 1.00 0.00 H new ATOM 326 N THR A 25 -9.183 0.628 -1.284 1.00 0.00 N ATOM 327 CA THR A 25 -9.513 1.554 -2.359 1.00 0.00 C ATOM 328 C THR A 25 -9.249 0.930 -3.724 1.00 0.00 C ATOM 329 O THR A 25 -8.380 0.069 -3.866 1.00 0.00 O ATOM 330 CB THR A 25 -8.709 2.863 -2.240 1.00 0.00 C ATOM 331 OG1 THR A 25 -7.332 2.569 -1.981 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.264 3.741 -1.129 1.00 0.00 C ATOM 0 H THR A 25 -8.437 -0.031 -1.509 1.00 0.00 H new ATOM 0 HA THR A 25 -10.575 1.779 -2.266 1.00 0.00 H new ATOM 0 HB THR A 25 -8.794 3.403 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.827 3.406 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.680 4.659 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.304 3.987 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.207 3.207 -0.180 1.00 0.00 H new ATOM 340 N ALA A 26 -10.002 1.370 -4.726 1.00 0.00 N ATOM 341 CA ALA A 26 -9.847 0.855 -6.081 1.00 0.00 C ATOM 342 C ALA A 26 -8.418 1.045 -6.580 1.00 0.00 C ATOM 343 O ALA A 26 -7.878 0.190 -7.281 1.00 0.00 O ATOM 344 CB ALA A 26 -10.831 1.538 -7.021 1.00 0.00 C ATOM 0 H ALA A 26 -10.726 2.082 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.060 -0.214 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.704 1.144 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.849 1.348 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.645 2.612 -7.025 1.00 0.00 H new ATOM 350 N GLU A 27 -7.812 2.171 -6.213 1.00 0.00 N ATOM 351 CA GLU A 27 -6.447 2.471 -6.626 1.00 0.00 C ATOM 352 C GLU A 27 -5.445 1.622 -5.850 1.00 0.00 C ATOM 353 O GLU A 27 -5.820 0.847 -4.970 1.00 0.00 O ATOM 354 CB GLU A 27 -6.143 3.956 -6.417 1.00 0.00 C ATOM 355 CG GLU A 27 -6.490 4.823 -7.617 1.00 0.00 C ATOM 356 CD GLU A 27 -5.652 4.494 -8.836 1.00 0.00 C ATOM 357 OE1 GLU A 27 -4.485 4.083 -8.660 1.00 0.00 O ATOM 358 OE2 GLU A 27 -6.161 4.647 -9.966 1.00 0.00 O ATOM 0 H GLU A 27 -8.245 2.889 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.354 2.234 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.697 4.313 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.084 4.073 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.545 4.695 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.349 5.872 -7.356 1.00 0.00 H new ATOM 365 N SER A 28 -4.167 1.774 -6.181 1.00 0.00 N ATOM 366 CA SER A 28 -3.110 1.018 -5.520 1.00 0.00 C ATOM 367 C SER A 28 -2.990 1.423 -4.053 1.00 0.00 C ATOM 368 O SER A 28 -2.825 2.601 -3.733 1.00 0.00 O ATOM 369 CB SER A 28 -1.773 1.238 -6.232 1.00 0.00 C ATOM 370 OG SER A 28 -1.700 0.478 -7.425 1.00 0.00 O ATOM 0 H SER A 28 -3.838 2.414 -6.904 1.00 0.00 H new ATOM 0 HA SER A 28 -3.369 -0.040 -5.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.650 2.296 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.954 0.959 -5.569 1.00 0.00 H new ATOM 0 HG SER A 28 -0.837 0.637 -7.862 1.00 0.00 H new ATOM 376 N LEU A 29 -3.073 0.437 -3.166 1.00 0.00 N ATOM 377 CA LEU A 29 -2.976 0.688 -1.732 1.00 0.00 C ATOM 378 C LEU A 29 -1.535 0.542 -1.252 1.00 0.00 C ATOM 379 O LEU A 29 -0.813 -0.357 -1.684 1.00 0.00 O ATOM 380 CB LEU A 29 -3.882 -0.274 -0.962 1.00 0.00 C ATOM 381 CG LEU A 29 -4.545 0.290 0.294 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.648 -0.639 0.778 1.00 0.00 C ATOM 383 CD2 LEU A 29 -3.512 0.508 1.390 1.00 0.00 C ATOM 0 H LEU A 29 -3.207 -0.543 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.302 1.711 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.664 -0.623 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.294 -1.146 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.991 1.253 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.109 -0.221 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.402 -0.746 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.225 -1.616 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.002 0.910 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.037 -0.442 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.756 1.212 1.043 1.00 0.00 H new ATOM 395 N PHE A 30 -1.123 1.430 -0.353 1.00 0.00 N ATOM 396 CA PHE A 30 0.231 1.399 0.187 1.00 0.00 C ATOM 397 C PHE A 30 0.338 0.392 1.329 1.00 0.00 C ATOM 398 O PHE A 30 -0.634 0.103 2.028 1.00 0.00 O ATOM 399 CB PHE A 30 0.637 2.790 0.679 1.00 0.00 C ATOM 400 CG PHE A 30 1.032 3.725 -0.428 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.264 3.821 -1.578 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.168 4.509 -0.318 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.626 4.681 -2.597 1.00 0.00 C ATOM 404 CE2 PHE A 30 2.535 5.372 -1.335 1.00 0.00 C ATOM 405 CZ PHE A 30 1.760 5.457 -2.476 1.00 0.00 C ATOM 0 H PHE A 30 -1.707 2.180 0.017 1.00 0.00 H new ATOM 0 HA PHE A 30 0.907 1.091 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.193 3.227 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.470 2.692 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.626 3.218 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.775 4.446 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.021 4.746 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.424 5.977 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.042 6.130 -3.272 1.00 0.00 H new ATOM 415 N PRO A 31 1.547 -0.154 1.524 1.00 0.00 N ATOM 416 CA PRO A 31 2.711 0.184 0.699 1.00 0.00 C ATOM 417 C PRO A 31 2.588 -0.355 -0.723 1.00 0.00 C ATOM 418 O PRO A 31 2.773 0.381 -1.694 1.00 0.00 O ATOM 419 CB PRO A 31 3.872 -0.495 1.429 1.00 0.00 C ATOM 420 CG PRO A 31 3.244 -1.620 2.176 1.00 0.00 C ATOM 421 CD PRO A 31 1.872 -1.144 2.564 1.00 0.00 C ATOM 0 HA PRO A 31 2.832 1.261 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.624 -0.857 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.374 0.198 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.186 -2.515 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.831 -1.879 3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.152 -1.962 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.868 -0.698 3.559 1.00 0.00 H new ATOM 429 N CYS A 32 2.275 -1.641 -0.840 1.00 0.00 N ATOM 430 CA CYS A 32 2.129 -2.277 -2.143 1.00 0.00 C ATOM 431 C CYS A 32 0.963 -3.262 -2.139 1.00 0.00 C ATOM 432 O CYS A 32 0.247 -3.387 -1.145 1.00 0.00 O ATOM 433 CB CYS A 32 3.421 -3.001 -2.529 1.00 0.00 C ATOM 434 SG CYS A 32 3.508 -4.726 -1.950 1.00 0.00 S ATOM 0 H CYS A 32 2.118 -2.263 -0.047 1.00 0.00 H new ATOM 0 HA CYS A 32 1.923 -1.499 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.522 -2.988 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.269 -2.450 -2.123 1.00 0.00 H new ATOM 439 N ARG A 33 0.780 -3.958 -3.256 1.00 0.00 N ATOM 440 CA ARG A 33 -0.299 -4.931 -3.381 1.00 0.00 C ATOM 441 C ARG A 33 0.239 -6.356 -3.271 1.00 0.00 C ATOM 442 O ARG A 33 -0.433 -7.244 -2.747 1.00 0.00 O ATOM 443 CB ARG A 33 -1.024 -4.750 -4.715 1.00 0.00 C ATOM 444 CG ARG A 33 -0.134 -4.968 -5.928 1.00 0.00 C ATOM 445 CD ARG A 33 -0.917 -5.541 -7.099 1.00 0.00 C ATOM 446 NE ARG A 33 -1.729 -6.688 -6.706 1.00 0.00 N ATOM 447 CZ ARG A 33 -1.261 -7.929 -6.630 1.00 0.00 C ATOM 448 NH1 ARG A 33 0.009 -8.181 -6.919 1.00 0.00 N ATOM 449 NH2 ARG A 33 -2.062 -8.921 -6.264 1.00 0.00 N ATOM 0 H ARG A 33 1.364 -3.867 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.003 -4.763 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.862 -5.446 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.442 -3.744 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.321 -4.022 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.679 -5.645 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.561 -4.768 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.225 -5.840 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.710 -6.528 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.629 -7.421 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.366 -9.135 -6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.039 -8.732 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.701 -9.873 -6.206 1.00 0.00 H new ATOM 463 N VAL A 34 1.454 -6.565 -3.769 1.00 0.00 N ATOM 464 CA VAL A 34 2.081 -7.879 -3.726 1.00 0.00 C ATOM 465 C VAL A 34 1.919 -8.521 -2.352 1.00 0.00 C ATOM 466 O VAL A 34 1.192 -9.502 -2.194 1.00 0.00 O ATOM 467 CB VAL A 34 3.579 -7.799 -4.070 1.00 0.00 C ATOM 468 CG1 VAL A 34 4.233 -9.165 -3.940 1.00 0.00 C ATOM 469 CG2 VAL A 34 3.774 -7.236 -5.470 1.00 0.00 C ATOM 0 H VAL A 34 2.023 -5.840 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 34 1.578 -8.493 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 34 4.060 -7.125 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.292 -9.087 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.125 -9.524 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.752 -9.865 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.839 -7.186 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.278 -7.882 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.345 -6.236 -5.523 1.00 0.00 H new ATOM 479 N CYS A 35 2.603 -7.960 -1.360 1.00 0.00 N ATOM 480 CA CYS A 35 2.536 -8.476 0.001 1.00 0.00 C ATOM 481 C CYS A 35 1.115 -8.909 0.351 1.00 0.00 C ATOM 482 O CYS A 35 0.147 -8.451 -0.257 1.00 0.00 O ATOM 483 CB CYS A 35 3.017 -7.416 0.995 1.00 0.00 C ATOM 484 SG CYS A 35 4.795 -7.035 0.873 1.00 0.00 S ATOM 0 H CYS A 35 3.210 -7.148 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 35 3.188 -9.347 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.448 -6.500 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.798 -7.756 2.007 1.00 0.00 H new ATOM 489 N THR A 36 0.998 -9.795 1.336 1.00 0.00 N ATOM 490 CA THR A 36 -0.303 -10.290 1.766 1.00 0.00 C ATOM 491 C THR A 36 -0.876 -9.430 2.886 1.00 0.00 C ATOM 492 O THR A 36 -1.397 -9.947 3.874 1.00 0.00 O ATOM 493 CB THR A 36 -0.217 -11.750 2.250 1.00 0.00 C ATOM 494 OG1 THR A 36 0.661 -11.841 3.377 1.00 0.00 O ATOM 495 CG2 THR A 36 0.282 -12.660 1.136 1.00 0.00 C ATOM 0 H THR A 36 1.789 -10.184 1.850 1.00 0.00 H new ATOM 0 HA THR A 36 -0.962 -10.240 0.899 1.00 0.00 H new ATOM 0 HB THR A 36 -1.216 -12.073 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.709 -12.772 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.335 -13.686 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.404 -12.610 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.273 -12.336 0.818 1.00 0.00 H new ATOM 503 N ARG A 37 -0.778 -8.114 2.724 1.00 0.00 N ATOM 504 CA ARG A 37 -1.286 -7.181 3.723 1.00 0.00 C ATOM 505 C ARG A 37 -1.161 -5.741 3.235 1.00 0.00 C ATOM 506 O ARG A 37 -0.386 -5.448 2.324 1.00 0.00 O ATOM 507 CB ARG A 37 -0.532 -7.352 5.043 1.00 0.00 C ATOM 508 CG ARG A 37 -1.342 -6.951 6.264 1.00 0.00 C ATOM 509 CD ARG A 37 -0.636 -7.338 7.554 1.00 0.00 C ATOM 510 NE ARG A 37 0.491 -6.457 7.848 1.00 0.00 N ATOM 511 CZ ARG A 37 1.317 -6.635 8.873 1.00 0.00 C ATOM 512 NH1 ARG A 37 1.142 -7.658 9.698 1.00 0.00 N ATOM 513 NH2 ARG A 37 2.319 -5.790 9.073 1.00 0.00 N ATOM 0 H ARG A 37 -0.352 -7.670 1.911 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.341 -7.401 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.228 -8.394 5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.380 -6.756 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.513 -5.875 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.320 -7.430 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.347 -7.305 8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.282 -8.366 7.479 1.00 0.00 H new ATOM 0 HE ARG A 37 0.653 -5.660 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.372 -8.310 9.546 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.777 -7.793 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.456 -5.002 8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.953 -5.928 9.860 1.00 0.00 H new ATOM 527 N VAL A 38 -1.929 -4.845 3.848 1.00 0.00 N ATOM 528 CA VAL A 38 -1.904 -3.435 3.478 1.00 0.00 C ATOM 529 C VAL A 38 -1.864 -2.543 4.713 1.00 0.00 C ATOM 530 O VAL A 38 -2.631 -2.735 5.656 1.00 0.00 O ATOM 531 CB VAL A 38 -3.129 -3.057 2.624 1.00 0.00 C ATOM 532 CG1 VAL A 38 -3.042 -3.704 1.250 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.414 -3.459 3.331 1.00 0.00 C ATOM 0 H VAL A 38 -2.576 -5.071 4.603 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.999 -3.278 2.891 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.138 -1.975 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.916 -3.426 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.139 -3.363 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.009 -4.788 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.270 -3.185 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.416 -4.536 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.478 -2.944 4.290 1.00 0.00 H new ATOM 543 N PHE A 39 -0.965 -1.565 4.701 1.00 0.00 N ATOM 544 CA PHE A 39 -0.824 -0.642 5.821 1.00 0.00 C ATOM 545 C PHE A 39 -0.309 0.714 5.346 1.00 0.00 C ATOM 546 O PHE A 39 0.754 0.807 4.732 1.00 0.00 O ATOM 547 CB PHE A 39 0.127 -1.222 6.870 1.00 0.00 C ATOM 548 CG PHE A 39 1.254 -2.022 6.283 1.00 0.00 C ATOM 549 CD1 PHE A 39 2.433 -1.403 5.898 1.00 0.00 C ATOM 550 CD2 PHE A 39 1.136 -3.392 6.116 1.00 0.00 C ATOM 551 CE1 PHE A 39 3.471 -2.136 5.356 1.00 0.00 C ATOM 552 CE2 PHE A 39 2.170 -4.131 5.575 1.00 0.00 C ATOM 553 CZ PHE A 39 3.341 -3.502 5.195 1.00 0.00 C ATOM 0 H PHE A 39 -0.323 -1.391 3.928 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.807 -0.501 6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.542 -0.407 7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.440 -1.855 7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.541 -0.336 6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.224 -3.889 6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.384 -1.641 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.064 -5.198 5.449 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.152 -4.077 4.773 1.00 0.00 H new ATOM 563 N HIS A 40 -1.071 1.764 5.636 1.00 0.00 N ATOM 564 CA HIS A 40 -0.693 3.115 5.239 1.00 0.00 C ATOM 565 C HIS A 40 0.484 3.617 6.070 1.00 0.00 C ATOM 566 O HIS A 40 0.414 3.662 7.299 1.00 0.00 O ATOM 567 CB HIS A 40 -1.882 4.066 5.393 1.00 0.00 C ATOM 568 CG HIS A 40 -3.149 3.543 4.788 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.389 4.080 5.060 1.00 0.00 N ATOM 570 CD2 HIS A 40 -3.362 2.527 3.920 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.310 3.415 4.386 1.00 0.00 C ATOM 572 NE2 HIS A 40 -4.713 2.468 3.686 1.00 0.00 N ATOM 0 H HIS A 40 -1.953 1.705 6.144 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.391 3.088 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.048 4.259 6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.635 5.021 4.930 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -4.567 4.867 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.609 1.882 3.491 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.372 3.612 4.404 1.00 0.00 H new ATOM 580 N ASP A 41 1.563 3.989 5.393 1.00 0.00 N ATOM 581 CA ASP A 41 2.757 4.488 6.068 1.00 0.00 C ATOM 582 C ASP A 41 2.389 5.519 7.130 1.00 0.00 C ATOM 583 O ASP A 41 2.878 5.466 8.258 1.00 0.00 O ATOM 584 CB ASP A 41 3.723 5.101 5.055 1.00 0.00 C ATOM 585 CG ASP A 41 5.117 5.287 5.623 1.00 0.00 C ATOM 586 OD1 ASP A 41 5.811 4.271 5.835 1.00 0.00 O ATOM 587 OD2 ASP A 41 5.513 6.449 5.857 1.00 0.00 O ATOM 0 H ASP A 41 1.637 3.955 4.376 1.00 0.00 H new ATOM 0 HA ASP A 41 3.246 3.647 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.775 4.461 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.336 6.066 4.726 1.00 0.00 H new ATOM 592 N GLY A 42 1.524 6.459 6.761 1.00 0.00 N ATOM 593 CA GLY A 42 1.107 7.492 7.692 1.00 0.00 C ATOM 594 C GLY A 42 0.456 6.919 8.936 1.00 0.00 C ATOM 595 O GLY A 42 0.464 7.549 9.995 1.00 0.00 O ATOM 0 H GLY A 42 1.104 6.524 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.972 8.089 7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.407 8.164 7.195 1.00 0.00 H new ATOM 599 N CYS A 43 -0.111 5.724 8.809 1.00 0.00 N ATOM 600 CA CYS A 43 -0.773 5.069 9.931 1.00 0.00 C ATOM 601 C CYS A 43 0.247 4.399 10.848 1.00 0.00 C ATOM 602 O CYS A 43 0.062 4.343 12.065 1.00 0.00 O ATOM 603 CB CYS A 43 -1.776 4.032 9.423 1.00 0.00 C ATOM 604 SG CYS A 43 -3.342 4.743 8.823 1.00 0.00 S ATOM 0 H CYS A 43 -0.125 5.189 7.940 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.305 5.830 10.502 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.316 3.462 8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.993 3.328 10.227 1.00 0.00 H new ATOM 609 N LEU A 44 1.324 3.895 10.256 1.00 0.00 N ATOM 610 CA LEU A 44 2.375 3.229 11.019 1.00 0.00 C ATOM 611 C LEU A 44 3.272 4.248 11.714 1.00 0.00 C ATOM 612 O LEU A 44 3.624 4.085 12.883 1.00 0.00 O ATOM 613 CB LEU A 44 3.213 2.338 10.100 1.00 0.00 C ATOM 614 CG LEU A 44 2.446 1.275 9.313 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.386 0.503 8.402 1.00 0.00 C ATOM 616 CD2 LEU A 44 1.722 0.330 10.260 1.00 0.00 C ATOM 0 H LEU A 44 1.493 3.934 9.251 1.00 0.00 H new ATOM 0 HA LEU A 44 1.901 2.611 11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.740 2.976 9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.970 1.838 10.704 1.00 0.00 H new ATOM 0 HG LEU A 44 1.703 1.776 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.822 -0.249 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.858 1.190 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.153 0.013 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.181 -0.420 9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.448 -0.163 10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.018 0.895 10.870 1.00 0.00 H new ATOM 628 N ARG A 45 3.637 5.300 10.988 1.00 0.00 N ATOM 629 CA ARG A 45 4.493 6.347 11.536 1.00 0.00 C ATOM 630 C ARG A 45 3.858 6.976 12.773 1.00 0.00 C ATOM 631 O ARG A 45 4.557 7.423 13.681 1.00 0.00 O ATOM 632 CB ARG A 45 4.755 7.423 10.482 1.00 0.00 C ATOM 633 CG ARG A 45 3.503 8.162 10.039 1.00 0.00 C ATOM 634 CD ARG A 45 3.243 9.385 10.904 1.00 0.00 C ATOM 635 NE ARG A 45 4.137 10.491 10.571 1.00 0.00 N ATOM 636 CZ ARG A 45 4.539 11.401 11.451 1.00 0.00 C ATOM 637 NH1 ARG A 45 4.129 11.337 12.710 1.00 0.00 N ATOM 638 NH2 ARG A 45 5.354 12.377 11.072 1.00 0.00 N ATOM 0 H ARG A 45 3.354 5.450 10.020 1.00 0.00 H new ATOM 0 HA ARG A 45 5.441 5.893 11.826 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.469 8.143 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.220 6.961 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.608 8.467 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.646 7.491 10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.209 9.705 10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.369 9.120 11.954 1.00 0.00 H new ATOM 0 HE ARG A 45 4.471 10.569 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.503 10.588 13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.439 12.037 13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.672 12.429 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.662 13.076 11.748 1.00 0.00 H new ATOM 652 N ARG A 46 2.529 7.006 12.800 1.00 0.00 N ATOM 653 CA ARG A 46 1.800 7.581 13.923 1.00 0.00 C ATOM 654 C ARG A 46 2.011 6.754 15.188 1.00 0.00 C ATOM 655 O ARG A 46 2.590 7.232 16.164 1.00 0.00 O ATOM 656 CB ARG A 46 0.307 7.667 13.600 1.00 0.00 C ATOM 657 CG ARG A 46 -0.577 7.767 14.832 1.00 0.00 C ATOM 658 CD ARG A 46 -0.287 9.031 15.626 1.00 0.00 C ATOM 659 NE ARG A 46 -0.869 10.215 15.002 1.00 0.00 N ATOM 660 CZ ARG A 46 -0.874 11.418 15.568 1.00 0.00 C ATOM 661 NH1 ARG A 46 -0.329 11.592 16.765 1.00 0.00 N ATOM 662 NH2 ARG A 46 -1.424 12.447 14.938 1.00 0.00 N ATOM 0 H ARG A 46 1.936 6.638 12.056 1.00 0.00 H new ATOM 0 HA ARG A 46 2.185 8.586 14.097 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.131 8.535 12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.017 6.787 13.025 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.625 7.758 14.531 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.420 6.894 15.466 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.682 8.923 16.636 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.791 9.162 15.717 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.295 10.114 14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.095 10.802 17.252 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.334 12.515 17.198 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.844 12.316 14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.427 13.369 15.374 1.00 0.00 H new ATOM 676 N MET A 47 1.537 5.513 15.164 1.00 0.00 N ATOM 677 CA MET A 47 1.674 4.620 16.308 1.00 0.00 C ATOM 678 C MET A 47 3.144 4.370 16.629 1.00 0.00 C ATOM 679 O MET A 47 3.586 4.574 17.759 1.00 0.00 O ATOM 680 CB MET A 47 0.967 3.292 16.033 1.00 0.00 C ATOM 681 CG MET A 47 -0.506 3.447 15.692 1.00 0.00 C ATOM 682 SD MET A 47 -1.562 3.435 17.154 1.00 0.00 S ATOM 683 CE MET A 47 -2.345 1.832 16.993 1.00 0.00 C ATOM 0 H MET A 47 1.054 5.103 14.364 1.00 0.00 H new ATOM 0 HA MET A 47 1.209 5.099 17.169 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.471 2.785 15.210 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.063 2.650 16.909 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.653 4.381 15.150 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.807 2.640 15.024 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.030 1.676 17.826 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.899 1.790 16.055 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.583 1.053 17.000 1.00 0.00 H new ATOM 693 N GLY A 48 3.897 3.925 15.627 1.00 0.00 N ATOM 694 CA GLY A 48 5.309 3.654 15.824 1.00 0.00 C ATOM 695 C GLY A 48 5.685 2.234 15.449 1.00 0.00 C ATOM 696 O GLY A 48 6.353 1.539 16.214 1.00 0.00 O ATOM 0 H GLY A 48 3.554 3.748 14.683 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.896 4.352 15.227 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.568 3.831 16.868 1.00 0.00 H new ATOM 700 N TYR A 49 5.253 1.803 14.269 1.00 0.00 N ATOM 701 CA TYR A 49 5.545 0.455 13.795 1.00 0.00 C ATOM 702 C TYR A 49 6.798 0.442 12.924 1.00 0.00 C ATOM 703 O TYR A 49 7.598 -0.491 12.982 1.00 0.00 O ATOM 704 CB TYR A 49 4.357 -0.100 13.008 1.00 0.00 C ATOM 705 CG TYR A 49 3.252 -0.647 13.884 1.00 0.00 C ATOM 706 CD1 TYR A 49 3.460 -1.770 14.676 1.00 0.00 C ATOM 707 CD2 TYR A 49 2.002 -0.043 13.918 1.00 0.00 C ATOM 708 CE1 TYR A 49 2.454 -2.274 15.477 1.00 0.00 C ATOM 709 CE2 TYR A 49 0.990 -0.540 14.718 1.00 0.00 C ATOM 710 CZ TYR A 49 1.222 -1.656 15.495 1.00 0.00 C ATOM 711 OH TYR A 49 0.216 -2.154 16.292 1.00 0.00 O ATOM 0 H TYR A 49 4.700 2.367 13.624 1.00 0.00 H new ATOM 0 HA TYR A 49 5.723 -0.177 14.665 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.951 0.689 12.375 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.709 -0.891 12.345 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.424 -2.257 14.665 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.817 0.830 13.309 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.632 -3.148 16.086 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.024 -0.058 14.735 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.587 -1.602 16.189 1.00 0.00 H new ATOM 721 N ILE A 50 6.959 1.486 12.118 1.00 0.00 N ATOM 722 CA ILE A 50 8.114 1.597 11.235 1.00 0.00 C ATOM 723 C ILE A 50 9.096 2.646 11.745 1.00 0.00 C ATOM 724 O ILE A 50 10.302 2.539 11.524 1.00 0.00 O ATOM 725 CB ILE A 50 7.692 1.960 9.799 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.734 3.153 9.812 1.00 0.00 C ATOM 727 CG2 ILE A 50 7.047 0.762 9.117 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.580 3.818 8.461 1.00 0.00 C ATOM 0 H ILE A 50 6.305 2.266 12.058 1.00 0.00 H new ATOM 0 HA ILE A 50 8.600 0.621 11.226 1.00 0.00 H new ATOM 0 HB ILE A 50 8.582 2.239 9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.756 2.819 10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.092 3.889 10.532 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.754 1.035 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.759 -0.062 9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.165 0.455 9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.887 4.655 8.544 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.550 4.182 8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.192 3.096 7.742 1.00 0.00 H new ATOM 740 N GLN A 51 8.571 3.658 12.428 1.00 0.00 N ATOM 741 CA GLN A 51 9.403 4.725 12.971 1.00 0.00 C ATOM 742 C GLN A 51 8.580 5.664 13.847 1.00 0.00 C ATOM 743 O GLN A 51 7.354 5.574 13.891 1.00 0.00 O ATOM 744 CB GLN A 51 10.061 5.514 11.837 1.00 0.00 C ATOM 745 CG GLN A 51 9.087 6.379 11.052 1.00 0.00 C ATOM 746 CD GLN A 51 9.788 7.329 10.100 1.00 0.00 C ATOM 747 OE1 GLN A 51 11.004 7.508 10.166 1.00 0.00 O ATOM 748 NE2 GLN A 51 9.021 7.944 9.207 1.00 0.00 N ATOM 0 H GLN A 51 7.574 3.761 12.618 1.00 0.00 H new ATOM 0 HA GLN A 51 10.179 4.269 13.586 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.843 6.149 12.253 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.546 4.817 11.154 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.411 5.737 10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.475 6.953 11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.017 7.766 9.188 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.436 8.595 8.540 1.00 0.00 H new ATOM 757 N GLY A 52 9.264 6.566 14.545 1.00 0.00 N ATOM 758 CA GLY A 52 8.581 7.508 15.412 1.00 0.00 C ATOM 759 C GLY A 52 9.541 8.313 16.265 1.00 0.00 C ATOM 760 O GLY A 52 9.385 9.526 16.410 1.00 0.00 O ATOM 0 H GLY A 52 10.279 6.661 14.525 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.982 8.187 14.805 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.891 6.967 16.059 1.00 0.00 H new ATOM 764 N ASP A 53 10.535 7.638 16.832 1.00 0.00 N ATOM 765 CA ASP A 53 11.523 8.299 17.677 1.00 0.00 C ATOM 766 C ASP A 53 11.873 9.678 17.126 1.00 0.00 C ATOM 767 O ASP A 53 11.914 10.661 17.867 1.00 0.00 O ATOM 768 CB ASP A 53 12.787 7.443 17.783 1.00 0.00 C ATOM 769 CG ASP A 53 13.698 7.604 16.582 1.00 0.00 C ATOM 770 OD1 ASP A 53 13.414 6.983 15.537 1.00 0.00 O ATOM 771 OD2 ASP A 53 14.695 8.349 16.689 1.00 0.00 O ATOM 0 H ASP A 53 10.678 6.634 16.722 1.00 0.00 H new ATOM 0 HA ASP A 53 11.092 8.423 18.670 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.331 7.715 18.687 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.505 6.395 17.884 1.00 0.00 H new ATOM 776 N SER A 54 12.126 9.743 15.824 1.00 0.00 N ATOM 777 CA SER A 54 12.476 11.001 15.175 1.00 0.00 C ATOM 778 C SER A 54 11.999 11.017 13.725 1.00 0.00 C ATOM 779 O SER A 54 11.860 9.970 13.095 1.00 0.00 O ATOM 780 CB SER A 54 13.990 11.222 15.227 1.00 0.00 C ATOM 781 OG SER A 54 14.674 10.239 14.469 1.00 0.00 O ATOM 0 H SER A 54 12.095 8.939 15.197 1.00 0.00 H new ATOM 0 HA SER A 54 11.978 11.808 15.712 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.230 12.214 14.843 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.330 11.190 16.262 1.00 0.00 H new ATOM 0 HG SER A 54 14.819 9.443 15.021 1.00 0.00 H new ATOM 787 N ALA A 55 11.748 12.214 13.206 1.00 0.00 N ATOM 788 CA ALA A 55 11.288 12.369 11.831 1.00 0.00 C ATOM 789 C ALA A 55 12.333 13.079 10.978 1.00 0.00 C ATOM 790 O ALA A 55 13.022 13.982 11.450 1.00 0.00 O ATOM 791 CB ALA A 55 9.971 13.130 11.798 1.00 0.00 C ATOM 0 H ALA A 55 11.855 13.091 13.716 1.00 0.00 H new ATOM 0 HA ALA A 55 11.131 11.375 11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.639 13.238 10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.219 12.581 12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.110 14.117 12.240 1.00 0.00 H new ATOM 797 N ALA A 56 12.445 12.664 9.720 1.00 0.00 N ATOM 798 CA ALA A 56 13.406 13.261 8.802 1.00 0.00 C ATOM 799 C ALA A 56 12.705 13.858 7.586 1.00 0.00 C ATOM 800 O ALA A 56 11.801 13.246 7.019 1.00 0.00 O ATOM 801 CB ALA A 56 14.434 12.227 8.366 1.00 0.00 C ATOM 0 H ALA A 56 11.882 11.917 9.314 1.00 0.00 H new ATOM 0 HA ALA A 56 13.919 14.067 9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.145 12.688 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.965 11.850 9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.929 11.401 7.864 1.00 0.00 H new ATOM 807 N GLU A 57 13.129 15.055 7.192 1.00 0.00 N ATOM 808 CA GLU A 57 12.540 15.733 6.043 1.00 0.00 C ATOM 809 C GLU A 57 13.135 15.212 4.739 1.00 0.00 C ATOM 810 O GLU A 57 13.497 15.988 3.854 1.00 0.00 O ATOM 811 CB GLU A 57 12.758 17.244 6.149 1.00 0.00 C ATOM 812 CG GLU A 57 14.222 17.646 6.198 1.00 0.00 C ATOM 813 CD GLU A 57 14.425 19.047 6.742 1.00 0.00 C ATOM 814 OE1 GLU A 57 13.699 19.963 6.302 1.00 0.00 O ATOM 815 OE2 GLU A 57 15.308 19.228 7.605 1.00 0.00 O ATOM 0 H GLU A 57 13.877 15.575 7.651 1.00 0.00 H new ATOM 0 HA GLU A 57 11.470 15.526 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.285 17.731 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.259 17.613 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.769 16.937 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.645 17.585 5.195 1.00 0.00 H new ATOM 822 N VAL A 58 13.236 13.891 4.627 1.00 0.00 N ATOM 823 CA VAL A 58 13.786 13.265 3.431 1.00 0.00 C ATOM 824 C VAL A 58 12.678 12.753 2.518 1.00 0.00 C ATOM 825 O VAL A 58 11.798 12.008 2.949 1.00 0.00 O ATOM 826 CB VAL A 58 14.722 12.095 3.791 1.00 0.00 C ATOM 827 CG1 VAL A 58 15.240 11.419 2.530 1.00 0.00 C ATOM 828 CG2 VAL A 58 15.874 12.580 4.657 1.00 0.00 C ATOM 0 H VAL A 58 12.944 13.234 5.350 1.00 0.00 H new ATOM 0 HA VAL A 58 14.358 14.031 2.907 1.00 0.00 H new ATOM 0 HB VAL A 58 14.154 11.361 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.899 10.595 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.400 11.035 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.793 12.142 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 58 16.524 11.740 4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.444 13.335 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.481 13.014 5.576 1.00 0.00 H new ATOM 838 N THR A 59 12.727 13.159 1.253 1.00 0.00 N ATOM 839 CA THR A 59 11.727 12.742 0.278 1.00 0.00 C ATOM 840 C THR A 59 11.365 11.272 0.455 1.00 0.00 C ATOM 841 O THR A 59 12.226 10.442 0.747 1.00 0.00 O ATOM 842 CB THR A 59 12.220 12.968 -1.164 1.00 0.00 C ATOM 843 OG1 THR A 59 12.517 14.353 -1.368 1.00 0.00 O ATOM 844 CG2 THR A 59 11.173 12.516 -2.171 1.00 0.00 C ATOM 0 H THR A 59 13.448 13.776 0.880 1.00 0.00 H new ATOM 0 HA THR A 59 10.842 13.354 0.452 1.00 0.00 H new ATOM 0 HB THR A 59 13.124 12.377 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.831 14.488 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.544 12.685 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.969 11.454 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.255 13.084 -2.021 1.00 0.00 H new ATOM 852 N GLU A 60 10.086 10.956 0.276 1.00 0.00 N ATOM 853 CA GLU A 60 9.612 9.584 0.416 1.00 0.00 C ATOM 854 C GLU A 60 8.879 9.131 -0.843 1.00 0.00 C ATOM 855 O GLU A 60 7.993 9.824 -1.341 1.00 0.00 O ATOM 856 CB GLU A 60 8.688 9.463 1.631 1.00 0.00 C ATOM 857 CG GLU A 60 7.485 10.389 1.575 1.00 0.00 C ATOM 858 CD GLU A 60 6.431 10.039 2.607 1.00 0.00 C ATOM 859 OE1 GLU A 60 6.104 8.841 2.738 1.00 0.00 O ATOM 860 OE2 GLU A 60 5.933 10.963 3.283 1.00 0.00 O ATOM 0 H GLU A 60 9.360 11.631 0.034 1.00 0.00 H new ATOM 0 HA GLU A 60 10.478 8.939 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.340 8.433 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.259 9.677 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.814 11.416 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.043 10.344 0.580 1.00 0.00 H new ATOM 867 N MET A 61 9.255 7.961 -1.351 1.00 0.00 N ATOM 868 CA MET A 61 8.634 7.415 -2.551 1.00 0.00 C ATOM 869 C MET A 61 8.296 5.939 -2.363 1.00 0.00 C ATOM 870 O MET A 61 9.126 5.157 -1.904 1.00 0.00 O ATOM 871 CB MET A 61 9.561 7.589 -3.756 1.00 0.00 C ATOM 872 CG MET A 61 9.660 9.025 -4.244 1.00 0.00 C ATOM 873 SD MET A 61 8.330 9.467 -5.377 1.00 0.00 S ATOM 874 CE MET A 61 9.268 10.036 -6.794 1.00 0.00 C ATOM 0 H MET A 61 9.986 7.374 -0.950 1.00 0.00 H new ATOM 0 HA MET A 61 7.709 7.962 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.557 7.234 -3.492 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.205 6.960 -4.572 1.00 0.00 H new ATOM 0 HG2 MET A 61 9.640 9.698 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.619 9.170 -4.741 1.00 0.00 H new ATOM 0 HE1 MET A 61 8.614 10.092 -7.664 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.679 11.024 -6.585 1.00 0.00 H new ATOM 0 HE3 MET A 61 10.082 9.339 -6.995 1.00 0.00 H new ATOM 884 N ALA A 62 7.071 5.567 -2.723 1.00 0.00 N ATOM 885 CA ALA A 62 6.625 4.185 -2.595 1.00 0.00 C ATOM 886 C ALA A 62 6.218 3.613 -3.950 1.00 0.00 C ATOM 887 O ALA A 62 6.537 2.467 -4.271 1.00 0.00 O ATOM 888 CB ALA A 62 5.468 4.093 -1.612 1.00 0.00 C ATOM 0 H ALA A 62 6.371 6.203 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 62 7.458 3.593 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.145 3.055 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.791 4.455 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.638 4.703 -1.969 1.00 0.00 H new ATOM 894 N HIS A 63 5.511 4.417 -4.738 1.00 0.00 N ATOM 895 CA HIS A 63 5.061 3.990 -6.058 1.00 0.00 C ATOM 896 C HIS A 63 6.173 4.148 -7.090 1.00 0.00 C ATOM 897 O HIS A 63 5.946 4.644 -8.193 1.00 0.00 O ATOM 898 CB HIS A 63 3.833 4.795 -6.486 1.00 0.00 C ATOM 899 CG HIS A 63 3.199 4.295 -7.747 1.00 0.00 C ATOM 900 ND1 HIS A 63 3.376 4.903 -8.971 1.00 0.00 N ATOM 901 CD2 HIS A 63 2.386 3.236 -7.969 1.00 0.00 C ATOM 902 CE1 HIS A 63 2.698 4.242 -9.893 1.00 0.00 C ATOM 903 NE2 HIS A 63 2.088 3.225 -9.310 1.00 0.00 N ATOM 0 H HIS A 63 5.238 5.367 -4.486 1.00 0.00 H new ATOM 0 HA HIS A 63 4.793 2.935 -5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.095 4.771 -5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.121 5.837 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.037 2.531 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.651 4.490 -10.943 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.493 2.543 -9.779 1.00 0.00 H new ATOM 911 N THR A 64 7.378 3.721 -6.723 1.00 0.00 N ATOM 912 CA THR A 64 8.527 3.818 -7.616 1.00 0.00 C ATOM 913 C THR A 64 9.412 2.581 -7.508 1.00 0.00 C ATOM 914 O THR A 64 9.539 1.991 -6.435 1.00 0.00 O ATOM 915 CB THR A 64 9.372 5.069 -7.310 1.00 0.00 C ATOM 916 OG1 THR A 64 9.737 5.088 -5.926 1.00 0.00 O ATOM 917 CG2 THR A 64 8.606 6.337 -7.656 1.00 0.00 C ATOM 0 H THR A 64 7.583 3.305 -5.815 1.00 0.00 H new ATOM 0 HA THR A 64 8.135 3.893 -8.630 1.00 0.00 H new ATOM 0 HB THR A 64 10.273 5.030 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.511 5.676 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.223 7.207 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.356 6.333 -8.717 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.689 6.380 -7.068 1.00 0.00 H new ATOM 925 N GLU A 65 10.021 2.196 -8.624 1.00 0.00 N ATOM 926 CA GLU A 65 10.895 1.029 -8.652 1.00 0.00 C ATOM 927 C GLU A 65 11.872 1.051 -7.481 1.00 0.00 C ATOM 928 O GLU A 65 12.385 2.106 -7.106 1.00 0.00 O ATOM 929 CB GLU A 65 11.666 0.973 -9.973 1.00 0.00 C ATOM 930 CG GLU A 65 10.791 0.664 -11.176 1.00 0.00 C ATOM 931 CD GLU A 65 10.393 -0.799 -11.247 1.00 0.00 C ATOM 932 OE1 GLU A 65 11.297 -1.653 -11.361 1.00 0.00 O ATOM 933 OE2 GLU A 65 9.180 -1.087 -11.189 1.00 0.00 O ATOM 0 H GLU A 65 9.926 2.674 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 65 10.272 0.139 -8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.165 1.929 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.446 0.215 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.892 1.280 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.323 0.937 -12.087 1.00 0.00 H new ATOM 940 N THR A 66 12.125 -0.120 -6.906 1.00 0.00 N ATOM 941 CA THR A 66 13.039 -0.236 -5.777 1.00 0.00 C ATOM 942 C THR A 66 12.808 0.882 -4.767 1.00 0.00 C ATOM 943 O THR A 66 13.752 1.403 -4.176 1.00 0.00 O ATOM 944 CB THR A 66 14.508 -0.201 -6.237 1.00 0.00 C ATOM 945 OG1 THR A 66 14.781 1.032 -6.912 1.00 0.00 O ATOM 946 CG2 THR A 66 14.814 -1.370 -7.161 1.00 0.00 C ATOM 0 H THR A 66 11.709 -1.002 -7.204 1.00 0.00 H new ATOM 0 HA THR A 66 12.837 -1.197 -5.304 1.00 0.00 H new ATOM 0 HB THR A 66 15.144 -0.280 -5.355 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.047 1.662 -6.752 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.857 -1.324 -7.473 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.634 -2.307 -6.634 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.170 -1.318 -8.039 1.00 0.00 H new ATOM 954 N GLY A 67 11.544 1.246 -4.572 1.00 0.00 N ATOM 955 CA GLY A 67 11.212 2.300 -3.632 1.00 0.00 C ATOM 956 C GLY A 67 11.312 1.844 -2.190 1.00 0.00 C ATOM 957 O GLY A 67 12.388 1.471 -1.723 1.00 0.00 O ATOM 0 H GLY A 67 10.744 0.829 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.880 3.147 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.200 2.652 -3.829 1.00 0.00 H new ATOM 961 N TRP A 68 10.189 1.873 -1.482 1.00 0.00 N ATOM 962 CA TRP A 68 10.154 1.461 -0.083 1.00 0.00 C ATOM 963 C TRP A 68 10.078 -0.057 0.034 1.00 0.00 C ATOM 964 O TRP A 68 9.467 -0.724 -0.802 1.00 0.00 O ATOM 965 CB TRP A 68 8.963 2.101 0.630 1.00 0.00 C ATOM 966 CG TRP A 68 9.280 3.437 1.233 1.00 0.00 C ATOM 967 CD1 TRP A 68 8.618 4.612 1.015 1.00 0.00 C ATOM 968 CD2 TRP A 68 10.338 3.733 2.151 1.00 0.00 C ATOM 969 NE1 TRP A 68 9.202 5.621 1.742 1.00 0.00 N ATOM 970 CE2 TRP A 68 10.259 5.108 2.448 1.00 0.00 C ATOM 971 CE3 TRP A 68 11.344 2.972 2.751 1.00 0.00 C ATOM 972 CZ2 TRP A 68 11.147 5.734 3.318 1.00 0.00 C ATOM 973 CZ3 TRP A 68 12.225 3.594 3.615 1.00 0.00 C ATOM 974 CH2 TRP A 68 12.122 4.963 3.892 1.00 0.00 C ATOM 0 H TRP A 68 9.289 2.178 -1.854 1.00 0.00 H new ATOM 0 HA TRP A 68 11.075 1.798 0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 68 8.143 2.216 -0.079 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.615 1.429 1.415 1.00 0.00 H new ATOM 0 HD1 TRP A 68 7.762 4.730 0.367 1.00 0.00 H new ATOM 0 HE1 TRP A 68 8.898 6.595 1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 68 11.432 1.916 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 11.070 6.790 3.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 13.006 3.015 4.085 1.00 0.00 H new ATOM 0 HH2 TRP A 68 12.826 5.420 4.572 1.00 0.00 H new ATOM 985 N SER A 69 10.699 -0.598 1.077 1.00 0.00 N ATOM 986 CA SER A 69 10.703 -2.040 1.301 1.00 0.00 C ATOM 987 C SER A 69 9.737 -2.418 2.421 1.00 0.00 C ATOM 988 O SER A 69 10.075 -2.336 3.602 1.00 0.00 O ATOM 989 CB SER A 69 12.114 -2.520 1.646 1.00 0.00 C ATOM 990 OG SER A 69 13.044 -2.120 0.654 1.00 0.00 O ATOM 0 H SER A 69 11.206 -0.060 1.780 1.00 0.00 H new ATOM 0 HA SER A 69 10.376 -2.527 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.413 -2.116 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.120 -3.606 1.738 1.00 0.00 H new ATOM 0 HG SER A 69 13.939 -2.437 0.898 1.00 0.00 H new ATOM 996 N CYS A 70 8.533 -2.830 2.040 1.00 0.00 N ATOM 997 CA CYS A 70 7.517 -3.221 3.009 1.00 0.00 C ATOM 998 C CYS A 70 8.117 -4.101 4.102 1.00 0.00 C ATOM 999 O CYS A 70 9.160 -4.727 3.909 1.00 0.00 O ATOM 1000 CB CYS A 70 6.376 -3.964 2.312 1.00 0.00 C ATOM 1001 SG CYS A 70 5.880 -3.236 0.717 1.00 0.00 S ATOM 0 H CYS A 70 8.237 -2.902 1.067 1.00 0.00 H new ATOM 0 HA CYS A 70 7.124 -2.315 3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.677 -4.999 2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.511 -3.984 2.975 1.00 0.00 H new ATOM 1006 N HIS A 71 7.451 -4.145 5.252 1.00 0.00 N ATOM 1007 CA HIS A 71 7.918 -4.948 6.377 1.00 0.00 C ATOM 1008 C HIS A 71 8.572 -6.237 5.890 1.00 0.00 C ATOM 1009 O HIS A 71 9.598 -6.662 6.420 1.00 0.00 O ATOM 1010 CB HIS A 71 6.755 -5.275 7.314 1.00 0.00 C ATOM 1011 CG HIS A 71 6.296 -4.107 8.131 1.00 0.00 C ATOM 1012 ND1 HIS A 71 6.284 -4.112 9.510 1.00 0.00 N ATOM 1013 CD2 HIS A 71 5.835 -2.891 7.757 1.00 0.00 C ATOM 1014 CE1 HIS A 71 5.833 -2.950 9.948 1.00 0.00 C ATOM 1015 NE2 HIS A 71 5.553 -2.191 8.904 1.00 0.00 N ATOM 0 H HIS A 71 6.586 -3.634 5.429 1.00 0.00 H new ATOM 0 HA HIS A 71 8.662 -4.367 6.922 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.917 -5.646 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.055 -6.081 7.984 1.00 0.00 H new ATOM 0 HD1 HIS A 71 6.577 -4.891 10.100 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.712 -2.537 6.744 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.714 -2.669 10.984 1.00 0.00 H new ATOM 1023 N TYR A 72 7.972 -6.852 4.877 1.00 0.00 N ATOM 1024 CA TYR A 72 8.495 -8.094 4.319 1.00 0.00 C ATOM 1025 C TYR A 72 9.321 -7.824 3.066 1.00 0.00 C ATOM 1026 O TYR A 72 10.414 -8.368 2.899 1.00 0.00 O ATOM 1027 CB TYR A 72 7.349 -9.053 3.991 1.00 0.00 C ATOM 1028 CG TYR A 72 6.261 -9.078 5.041 1.00 0.00 C ATOM 1029 CD1 TYR A 72 5.341 -8.042 5.142 1.00 0.00 C ATOM 1030 CD2 TYR A 72 6.154 -10.138 5.933 1.00 0.00 C ATOM 1031 CE1 TYR A 72 4.346 -8.060 6.099 1.00 0.00 C ATOM 1032 CE2 TYR A 72 5.161 -10.165 6.894 1.00 0.00 C ATOM 1033 CZ TYR A 72 4.259 -9.124 6.973 1.00 0.00 C ATOM 1034 OH TYR A 72 3.270 -9.148 7.929 1.00 0.00 O ATOM 0 H TYR A 72 7.123 -6.511 4.425 1.00 0.00 H new ATOM 0 HA TYR A 72 9.142 -8.553 5.066 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.912 -8.769 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.751 -10.059 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.405 -7.207 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.859 -10.954 5.874 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.640 -7.246 6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.092 -10.997 7.580 1.00 0.00 H new ATOM 0 HH TYR A 72 3.349 -9.967 8.461 1.00 0.00 H new ATOM 1044 N CYS A 73 8.793 -6.978 2.188 1.00 0.00 N ATOM 1045 CA CYS A 73 9.479 -6.634 0.949 1.00 0.00 C ATOM 1046 C CYS A 73 10.898 -6.148 1.230 1.00 0.00 C ATOM 1047 O CYS A 73 11.153 -5.501 2.247 1.00 0.00 O ATOM 1048 CB CYS A 73 8.699 -5.557 0.192 1.00 0.00 C ATOM 1049 SG CYS A 73 7.356 -6.206 -0.852 1.00 0.00 S ATOM 0 H CYS A 73 7.891 -6.518 2.312 1.00 0.00 H new ATOM 0 HA CYS A 73 9.537 -7.531 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.278 -4.855 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.392 -4.995 -0.434 1.00 0.00 H new ATOM 1054 N ASP A 74 11.816 -6.462 0.323 1.00 0.00 N ATOM 1055 CA ASP A 74 13.208 -6.057 0.472 1.00 0.00 C ATOM 1056 C ASP A 74 13.993 -6.327 -0.808 1.00 0.00 C ATOM 1057 O ASP A 74 13.605 -7.166 -1.619 1.00 0.00 O ATOM 1058 CB ASP A 74 13.854 -6.795 1.646 1.00 0.00 C ATOM 1059 CG ASP A 74 15.096 -6.092 2.160 1.00 0.00 C ATOM 1060 OD1 ASP A 74 16.145 -6.172 1.486 1.00 0.00 O ATOM 1061 OD2 ASP A 74 15.018 -5.462 3.235 1.00 0.00 O ATOM 0 H ASP A 74 11.621 -6.996 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 74 13.229 -4.985 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.130 -6.887 2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.115 -7.807 1.336 1.00 0.00 H new ATOM 1066 N ASN A 75 15.099 -5.610 -0.980 1.00 0.00 N ATOM 1067 CA ASN A 75 15.937 -5.772 -2.163 1.00 0.00 C ATOM 1068 C ASN A 75 17.406 -5.910 -1.773 1.00 0.00 C ATOM 1069 O ASN A 75 17.825 -5.441 -0.714 1.00 0.00 O ATOM 1070 CB ASN A 75 15.759 -4.580 -3.107 1.00 0.00 C ATOM 1071 CG ASN A 75 16.399 -4.815 -4.462 1.00 0.00 C ATOM 1072 OD1 ASN A 75 17.593 -4.582 -4.644 1.00 0.00 O ATOM 1073 ND2 ASN A 75 15.604 -5.279 -5.418 1.00 0.00 N ATOM 0 H ASN A 75 15.435 -4.912 -0.316 1.00 0.00 H new ATOM 0 HA ASN A 75 15.627 -6.683 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.696 -4.381 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.195 -3.691 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.978 -5.457 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.619 -5.458 -5.220 1.00 0.00 H new ATOM 1080 N ILE A 76 18.182 -6.557 -2.635 1.00 0.00 N ATOM 1081 CA ILE A 76 19.604 -6.757 -2.383 1.00 0.00 C ATOM 1082 C ILE A 76 20.299 -5.433 -2.082 1.00 0.00 C ATOM 1083 O ILE A 76 21.285 -5.391 -1.346 1.00 0.00 O ATOM 1084 CB ILE A 76 20.300 -7.429 -3.581 1.00 0.00 C ATOM 1085 CG1 ILE A 76 20.133 -6.577 -4.840 1.00 0.00 C ATOM 1086 CG2 ILE A 76 19.741 -8.826 -3.802 1.00 0.00 C ATOM 1087 CD1 ILE A 76 21.055 -6.979 -5.970 1.00 0.00 C ATOM 0 H ILE A 76 17.850 -6.952 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 76 19.682 -7.412 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 76 21.364 -7.515 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 76 19.100 -6.648 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 76 20.315 -5.532 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 76 20.243 -9.288 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 76 19.908 -9.430 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 76 18.671 -8.762 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 76 20.881 -6.332 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 76 22.091 -6.881 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 76 20.858 -8.014 -6.249 1.00 0.00 H new ATOM 1099 N ASN A 77 19.779 -4.353 -2.656 1.00 0.00 N ATOM 1100 CA ASN A 77 20.348 -3.027 -2.449 1.00 0.00 C ATOM 1101 C ASN A 77 20.157 -2.573 -1.004 1.00 0.00 C ATOM 1102 O ASN A 77 19.105 -2.044 -0.642 1.00 0.00 O ATOM 1103 CB ASN A 77 19.706 -2.018 -3.402 1.00 0.00 C ATOM 1104 CG ASN A 77 20.242 -0.613 -3.204 1.00 0.00 C ATOM 1105 OD1 ASN A 77 21.445 -0.376 -3.306 1.00 0.00 O ATOM 1106 ND2 ASN A 77 19.347 0.326 -2.919 1.00 0.00 N ATOM 0 H ASN A 77 18.964 -4.371 -3.269 1.00 0.00 H new ATOM 0 HA ASN A 77 21.417 -3.081 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 77 19.884 -2.330 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.626 -2.017 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 77 19.647 1.290 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.359 0.083 -2.844 1.00 0.00 H new ATOM 1113 N LEU A 78 21.181 -2.782 -0.183 1.00 0.00 N ATOM 1114 CA LEU A 78 21.126 -2.393 1.221 1.00 0.00 C ATOM 1115 C LEU A 78 21.730 -1.007 1.427 1.00 0.00 C ATOM 1116 O LEU A 78 22.622 -0.591 0.686 1.00 0.00 O ATOM 1117 CB LEU A 78 21.866 -3.418 2.083 1.00 0.00 C ATOM 1118 CG LEU A 78 21.456 -3.478 3.555 1.00 0.00 C ATOM 1119 CD1 LEU A 78 20.158 -4.254 3.717 1.00 0.00 C ATOM 1120 CD2 LEU A 78 22.562 -4.104 4.392 1.00 0.00 C ATOM 0 H LEU A 78 22.058 -3.218 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 78 20.079 -2.361 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 78 21.719 -4.405 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 78 22.933 -3.203 2.032 1.00 0.00 H new ATOM 0 HG LEU A 78 21.293 -2.460 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.882 -4.286 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.367 -3.763 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.293 -5.270 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.253 -4.138 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.758 -5.116 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.469 -3.506 4.302 1.00 0.00 H new ATOM 1132 N LEU A 79 21.242 -0.298 2.438 1.00 0.00 N ATOM 1133 CA LEU A 79 21.736 1.040 2.743 1.00 0.00 C ATOM 1134 C LEU A 79 22.607 1.026 3.995 1.00 0.00 C ATOM 1135 O LEU A 79 22.814 -0.021 4.609 1.00 0.00 O ATOM 1136 CB LEU A 79 20.564 2.005 2.934 1.00 0.00 C ATOM 1137 CG LEU A 79 19.819 2.415 1.664 1.00 0.00 C ATOM 1138 CD1 LEU A 79 18.748 1.392 1.320 1.00 0.00 C ATOM 1139 CD2 LEU A 79 19.204 3.797 1.830 1.00 0.00 C ATOM 0 H LEU A 79 20.504 -0.627 3.061 1.00 0.00 H new ATOM 0 HA LEU A 79 22.344 1.377 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.850 1.547 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.937 2.907 3.420 1.00 0.00 H new ATOM 0 HG LEU A 79 20.534 2.453 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 79 18.228 1.701 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 79 19.212 0.419 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.035 1.322 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.677 4.073 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.502 3.785 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 19.991 4.524 2.029 1.00 0.00 H new ATOM 1151 N LEU A 80 23.115 2.196 4.368 1.00 0.00 N ATOM 1152 CA LEU A 80 23.964 2.320 5.548 1.00 0.00 C ATOM 1153 C LEU A 80 23.576 3.545 6.371 1.00 0.00 C ATOM 1154 O LEU A 80 22.853 4.421 5.898 1.00 0.00 O ATOM 1155 CB LEU A 80 25.434 2.413 5.135 1.00 0.00 C ATOM 1156 CG LEU A 80 25.933 3.802 4.739 1.00 0.00 C ATOM 1157 CD1 LEU A 80 25.017 4.420 3.694 1.00 0.00 C ATOM 1158 CD2 LEU A 80 26.034 4.703 5.962 1.00 0.00 C ATOM 0 H LEU A 80 22.954 3.072 3.871 1.00 0.00 H new ATOM 0 HA LEU A 80 23.822 1.432 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.046 2.051 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.598 1.737 4.296 1.00 0.00 H new ATOM 0 HG LEU A 80 26.928 3.699 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.388 5.409 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.996 3.786 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 80 24.009 4.509 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 80 26.391 5.688 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 80 25.052 4.799 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 80 26.732 4.268 6.678 1.00 0.00 H new ATOM 1170 N THR A 81 24.063 3.599 7.607 1.00 0.00 N ATOM 1171 CA THR A 81 23.770 4.716 8.496 1.00 0.00 C ATOM 1172 C THR A 81 24.925 4.974 9.456 1.00 0.00 C ATOM 1173 O THR A 81 25.475 4.042 10.043 1.00 0.00 O ATOM 1174 CB THR A 81 22.487 4.463 9.310 1.00 0.00 C ATOM 1175 OG1 THR A 81 21.418 4.085 8.436 1.00 0.00 O ATOM 1176 CG2 THR A 81 22.091 5.704 10.096 1.00 0.00 C ATOM 0 H THR A 81 24.662 2.882 8.015 1.00 0.00 H new ATOM 0 HA THR A 81 23.625 5.593 7.865 1.00 0.00 H new ATOM 0 HB THR A 81 22.684 3.654 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.607 3.925 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 81 21.182 5.501 10.663 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.894 5.972 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 81 21.912 6.529 9.407 1.00 0.00 H new ATOM 1184 N GLU A 82 25.288 6.243 9.612 1.00 0.00 N ATOM 1185 CA GLU A 82 26.378 6.621 10.501 1.00 0.00 C ATOM 1186 C GLU A 82 25.841 7.234 11.792 1.00 0.00 C ATOM 1187 O GLU A 82 25.380 8.374 11.804 1.00 0.00 O ATOM 1188 CB GLU A 82 27.314 7.612 9.806 1.00 0.00 C ATOM 1189 CG GLU A 82 27.906 7.083 8.511 1.00 0.00 C ATOM 1190 CD GLU A 82 29.179 6.289 8.734 1.00 0.00 C ATOM 1191 OE1 GLU A 82 29.913 6.600 9.695 1.00 0.00 O ATOM 1192 OE2 GLU A 82 29.442 5.356 7.944 1.00 0.00 O ATOM 0 H GLU A 82 24.843 7.026 9.134 1.00 0.00 H new ATOM 0 HA GLU A 82 26.936 5.719 10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 82 26.766 8.531 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 82 28.125 7.872 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.171 6.452 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.116 7.919 7.843 1.00 0.00 H new ATOM 1199 N GLU A 83 25.903 6.466 12.876 1.00 0.00 N ATOM 1200 CA GLU A 83 25.421 6.932 14.170 1.00 0.00 C ATOM 1201 C GLU A 83 26.443 6.647 15.267 1.00 0.00 C ATOM 1202 O GLU A 83 27.252 5.725 15.152 1.00 0.00 O ATOM 1203 CB GLU A 83 24.088 6.263 14.514 1.00 0.00 C ATOM 1204 CG GLU A 83 24.214 4.781 14.827 1.00 0.00 C ATOM 1205 CD GLU A 83 24.496 3.947 13.592 1.00 0.00 C ATOM 1206 OE1 GLU A 83 23.527 3.497 12.945 1.00 0.00 O ATOM 1207 OE2 GLU A 83 25.686 3.745 13.273 1.00 0.00 O ATOM 0 H GLU A 83 26.282 5.519 12.883 1.00 0.00 H new ATOM 0 HA GLU A 83 25.273 8.010 14.106 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.647 6.771 15.372 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.400 6.392 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.015 4.633 15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.293 4.432 15.294 1.00 0.00 H new ATOM 1214 N SER A 84 26.403 7.445 16.328 1.00 0.00 N ATOM 1215 CA SER A 84 27.328 7.282 17.443 1.00 0.00 C ATOM 1216 C SER A 84 26.801 6.254 18.441 1.00 0.00 C ATOM 1217 O SER A 84 25.692 5.742 18.294 1.00 0.00 O ATOM 1218 CB SER A 84 27.554 8.622 18.147 1.00 0.00 C ATOM 1219 OG SER A 84 28.576 9.367 17.508 1.00 0.00 O ATOM 0 H SER A 84 25.740 8.212 16.439 1.00 0.00 H new ATOM 0 HA SER A 84 28.277 6.924 17.045 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.628 9.196 18.149 1.00 0.00 H new ATOM 0 HB3 SER A 84 27.823 8.448 19.189 1.00 0.00 H new ATOM 0 HG SER A 84 28.700 10.219 17.975 1.00 0.00 H new ATOM 1225 N GLY A 85 27.607 5.957 19.456 1.00 0.00 N ATOM 1226 CA GLY A 85 27.206 4.992 20.463 1.00 0.00 C ATOM 1227 C GLY A 85 28.285 4.755 21.500 1.00 0.00 C ATOM 1228 O GLY A 85 29.344 4.198 21.210 1.00 0.00 O ATOM 0 H GLY A 85 28.530 6.367 19.599 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.301 5.343 20.959 1.00 0.00 H new ATOM 0 HA3 GLY A 85 26.958 4.048 19.979 1.00 0.00 H new ATOM 1232 N PRO A 86 28.022 5.185 22.743 1.00 0.00 N ATOM 1233 CA PRO A 86 28.967 5.029 23.852 1.00 0.00 C ATOM 1234 C PRO A 86 29.119 3.575 24.284 1.00 0.00 C ATOM 1235 O PRO A 86 28.239 2.749 24.039 1.00 0.00 O ATOM 1236 CB PRO A 86 28.336 5.856 24.975 1.00 0.00 C ATOM 1237 CG PRO A 86 26.880 5.874 24.661 1.00 0.00 C ATOM 1238 CD PRO A 86 26.779 5.858 23.161 1.00 0.00 C ATOM 0 HA PRO A 86 29.972 5.351 23.579 1.00 0.00 H new ATOM 0 HB2 PRO A 86 28.525 5.408 25.951 1.00 0.00 H new ATOM 0 HB3 PRO A 86 28.747 6.865 25.003 1.00 0.00 H new ATOM 0 HG2 PRO A 86 26.377 5.010 25.095 1.00 0.00 H new ATOM 0 HG3 PRO A 86 26.403 6.762 25.075 1.00 0.00 H new ATOM 0 HD2 PRO A 86 25.895 5.316 22.823 1.00 0.00 H new ATOM 0 HD3 PRO A 86 26.711 6.866 22.752 1.00 0.00 H new ATOM 1246 N SER A 87 30.241 3.267 24.928 1.00 0.00 N ATOM 1247 CA SER A 87 30.508 1.911 25.390 1.00 0.00 C ATOM 1248 C SER A 87 29.258 1.289 26.006 1.00 0.00 C ATOM 1249 O SER A 87 28.714 1.800 26.983 1.00 0.00 O ATOM 1250 CB SER A 87 31.646 1.913 26.413 1.00 0.00 C ATOM 1251 OG SER A 87 32.908 1.833 25.773 1.00 0.00 O ATOM 0 H SER A 87 30.979 3.938 25.141 1.00 0.00 H new ATOM 0 HA SER A 87 30.803 1.313 24.528 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.597 2.821 27.014 1.00 0.00 H new ATOM 0 HB3 SER A 87 31.527 1.072 27.096 1.00 0.00 H new ATOM 0 HG SER A 87 33.618 1.838 26.448 1.00 0.00 H new ATOM 1257 N SER A 88 28.809 0.180 25.425 1.00 0.00 N ATOM 1258 CA SER A 88 27.621 -0.510 25.912 1.00 0.00 C ATOM 1259 C SER A 88 27.903 -1.200 27.244 1.00 0.00 C ATOM 1260 O SER A 88 29.012 -1.671 27.491 1.00 0.00 O ATOM 1261 CB SER A 88 27.144 -1.537 24.884 1.00 0.00 C ATOM 1262 OG SER A 88 28.143 -2.511 24.634 1.00 0.00 O ATOM 0 H SER A 88 29.250 -0.259 24.617 1.00 0.00 H new ATOM 0 HA SER A 88 26.837 0.231 26.064 1.00 0.00 H new ATOM 0 HB2 SER A 88 26.239 -2.025 25.246 1.00 0.00 H new ATOM 0 HB3 SER A 88 26.884 -1.031 23.954 1.00 0.00 H new ATOM 0 HG SER A 88 27.813 -3.157 23.975 1.00 0.00 H new ATOM 1268 N GLY A 89 26.887 -1.255 28.101 1.00 0.00 N ATOM 1269 CA GLY A 89 27.043 -1.889 29.397 1.00 0.00 C ATOM 1270 C GLY A 89 26.221 -3.156 29.526 1.00 0.00 C ATOM 1271 O GLY A 89 26.780 -4.247 29.419 1.00 0.00 O ATOM 0 H GLY A 89 25.959 -0.872 27.920 1.00 0.00 H new ATOM 0 HA2 GLY A 89 28.095 -2.124 29.559 1.00 0.00 H new ATOM 0 HA3 GLY A 89 26.749 -1.188 30.178 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.483 3.398 7.295 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.277 -5.181 -0.495 1.00 0.00 ZN