USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 615 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0554 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 47:sc= 1.27 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.224 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 14:sc= 0.575 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.384) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0681 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.758 K(o=-0.76,f=-0.026) USER MOD Single : A 55 ASN : amide:sc= -0.0521 K(o=-0.052,f=-0.73) USER MOD Single : A 56 THR OG1 : rot -55:sc= 0.645 USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.233) USER MOD Single : A 61 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.33) USER MOD Single : A 69 TYR OH : rot 130:sc= -3.09! USER MOD Single : A 73 ASN : amide:sc= -3.44 K(o=-3.4,f=-9.9!) USER MOD Single : A 75 LYS NZ :NH3+ -139:sc= -0.446 (180deg=-2.1!) USER MOD Single : A 77 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.8!) USER MOD Single : A 79 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.47) USER MOD Single : A 82 ASN : amide:sc= 0.0169 K(o=0.017,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.051 24.091 -22.280 1.00 0.00 N ATOM 2 CA GLY A 1 14.675 22.946 -22.918 1.00 0.00 C ATOM 3 C GLY A 1 14.793 21.756 -21.985 1.00 0.00 C ATOM 4 O GLY A 1 14.721 21.906 -20.766 1.00 0.00 O ATOM 0 H1 GLY A 1 13.127 24.274 -22.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.918 23.895 -21.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.660 24.926 -22.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.093 22.660 -23.795 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.667 23.227 -23.271 1.00 0.00 H new ATOM 8 N SER A 2 14.973 20.572 -22.560 1.00 0.00 N ATOM 9 CA SER A 2 15.096 19.351 -21.773 1.00 0.00 C ATOM 10 C SER A 2 15.427 18.159 -22.666 1.00 0.00 C ATOM 11 O SER A 2 15.447 18.274 -23.891 1.00 0.00 O ATOM 12 CB SER A 2 13.800 19.082 -21.004 1.00 0.00 C ATOM 13 OG SER A 2 12.748 18.732 -21.886 1.00 0.00 O ATOM 0 H SER A 2 15.037 20.432 -23.568 1.00 0.00 H new ATOM 0 HA SER A 2 15.911 19.487 -21.062 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.960 18.278 -20.286 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.521 19.968 -20.434 1.00 0.00 H new ATOM 0 HG SER A 2 11.932 18.563 -21.371 1.00 0.00 H new ATOM 19 N SER A 3 15.687 17.014 -22.042 1.00 0.00 N ATOM 20 CA SER A 3 16.021 15.801 -22.779 1.00 0.00 C ATOM 21 C SER A 3 16.077 14.596 -21.845 1.00 0.00 C ATOM 22 O SER A 3 16.031 14.740 -20.624 1.00 0.00 O ATOM 23 CB SER A 3 17.362 15.968 -23.496 1.00 0.00 C ATOM 24 OG SER A 3 17.184 16.514 -24.792 1.00 0.00 O ATOM 0 H SER A 3 15.673 16.901 -21.028 1.00 0.00 H new ATOM 0 HA SER A 3 15.240 15.628 -23.520 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.012 16.618 -22.911 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.861 15.002 -23.571 1.00 0.00 H new ATOM 0 HG SER A 3 16.572 17.278 -24.744 1.00 0.00 H new ATOM 30 N GLY A 4 16.176 13.406 -22.430 1.00 0.00 N ATOM 31 CA GLY A 4 16.236 12.192 -21.637 1.00 0.00 C ATOM 32 C GLY A 4 16.329 10.944 -22.492 1.00 0.00 C ATOM 33 O GLY A 4 16.320 11.023 -23.720 1.00 0.00 O ATOM 0 H GLY A 4 16.216 13.261 -23.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.099 12.238 -20.972 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.350 12.130 -21.005 1.00 0.00 H new ATOM 37 N SER A 5 16.421 9.789 -21.842 1.00 0.00 N ATOM 38 CA SER A 5 16.522 8.518 -22.551 1.00 0.00 C ATOM 39 C SER A 5 16.207 7.351 -21.621 1.00 0.00 C ATOM 40 O SER A 5 16.083 7.524 -20.409 1.00 0.00 O ATOM 41 CB SER A 5 17.922 8.351 -23.143 1.00 0.00 C ATOM 42 OG SER A 5 18.901 8.267 -22.122 1.00 0.00 O ATOM 0 H SER A 5 16.428 9.706 -20.825 1.00 0.00 H new ATOM 0 HA SER A 5 15.792 8.522 -23.360 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.955 7.452 -23.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.146 9.193 -23.798 1.00 0.00 H new ATOM 0 HG SER A 5 19.787 8.159 -22.526 1.00 0.00 H new ATOM 48 N SER A 6 16.080 6.160 -22.199 1.00 0.00 N ATOM 49 CA SER A 6 15.776 4.963 -21.424 1.00 0.00 C ATOM 50 C SER A 6 16.314 3.715 -22.118 1.00 0.00 C ATOM 51 O SER A 6 16.870 3.791 -23.212 1.00 0.00 O ATOM 52 CB SER A 6 14.266 4.834 -21.216 1.00 0.00 C ATOM 53 OG SER A 6 13.856 5.494 -20.031 1.00 0.00 O ATOM 0 H SER A 6 16.183 5.999 -23.201 1.00 0.00 H new ATOM 0 HA SER A 6 16.262 5.056 -20.453 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.740 5.257 -22.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.992 3.780 -21.163 1.00 0.00 H new ATOM 0 HG SER A 6 14.428 6.274 -19.876 1.00 0.00 H new ATOM 59 N GLY A 7 16.143 2.566 -21.472 1.00 0.00 N ATOM 60 CA GLY A 7 16.616 1.318 -22.041 1.00 0.00 C ATOM 61 C GLY A 7 15.534 0.257 -22.092 1.00 0.00 C ATOM 62 O GLY A 7 14.345 0.573 -22.079 1.00 0.00 O ATOM 0 H GLY A 7 15.685 2.477 -20.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.990 1.500 -23.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.455 0.949 -21.452 1.00 0.00 H new ATOM 66 N MET A 8 15.947 -1.005 -22.153 1.00 0.00 N ATOM 67 CA MET A 8 15.004 -2.115 -22.208 1.00 0.00 C ATOM 68 C MET A 8 15.726 -3.450 -22.053 1.00 0.00 C ATOM 69 O MET A 8 16.950 -3.520 -22.160 1.00 0.00 O ATOM 70 CB MET A 8 14.230 -2.091 -23.528 1.00 0.00 C ATOM 71 CG MET A 8 12.833 -2.681 -23.424 1.00 0.00 C ATOM 72 SD MET A 8 11.892 -2.510 -24.953 1.00 0.00 S ATOM 73 CE MET A 8 12.549 -3.875 -25.909 1.00 0.00 C ATOM 0 H MET A 8 16.928 -1.284 -22.166 1.00 0.00 H new ATOM 0 HA MET A 8 14.302 -2.003 -21.382 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.156 -1.061 -23.877 1.00 0.00 H new ATOM 0 HB3 MET A 8 14.794 -2.643 -24.280 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.907 -3.737 -23.164 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.295 -2.190 -22.614 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.064 -3.902 -26.885 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.623 -3.743 -26.041 1.00 0.00 H new ATOM 0 HE3 MET A 8 12.360 -4.811 -25.384 1.00 0.00 H new ATOM 83 N ALA A 9 14.959 -4.506 -21.801 1.00 0.00 N ATOM 84 CA ALA A 9 15.526 -5.839 -21.633 1.00 0.00 C ATOM 85 C ALA A 9 14.432 -6.900 -21.594 1.00 0.00 C ATOM 86 O ALA A 9 13.244 -6.581 -21.627 1.00 0.00 O ATOM 87 CB ALA A 9 16.368 -5.899 -20.366 1.00 0.00 C ATOM 0 H ALA A 9 13.944 -4.464 -21.709 1.00 0.00 H new ATOM 0 HA ALA A 9 16.166 -6.046 -22.491 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.785 -6.900 -20.253 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.179 -5.174 -20.433 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.744 -5.667 -19.503 1.00 0.00 H new ATOM 93 N SER A 10 14.841 -8.163 -21.525 1.00 0.00 N ATOM 94 CA SER A 10 13.895 -9.272 -21.486 1.00 0.00 C ATOM 95 C SER A 10 14.584 -10.559 -21.043 1.00 0.00 C ATOM 96 O SER A 10 15.812 -10.640 -21.013 1.00 0.00 O ATOM 97 CB SER A 10 13.254 -9.470 -22.861 1.00 0.00 C ATOM 98 OG SER A 10 12.086 -10.268 -22.768 1.00 0.00 O ATOM 0 H SER A 10 15.821 -8.444 -21.495 1.00 0.00 H new ATOM 0 HA SER A 10 13.118 -9.030 -20.761 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.003 -8.501 -23.292 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.969 -9.943 -23.535 1.00 0.00 H new ATOM 0 HG SER A 10 11.694 -10.379 -23.659 1.00 0.00 H new ATOM 104 N SER A 11 13.784 -11.563 -20.700 1.00 0.00 N ATOM 105 CA SER A 11 14.316 -12.846 -20.255 1.00 0.00 C ATOM 106 C SER A 11 13.310 -13.966 -20.501 1.00 0.00 C ATOM 107 O SER A 11 12.115 -13.811 -20.246 1.00 0.00 O ATOM 108 CB SER A 11 14.674 -12.785 -18.769 1.00 0.00 C ATOM 109 OG SER A 11 15.851 -12.023 -18.559 1.00 0.00 O ATOM 0 H SER A 11 12.765 -11.513 -20.722 1.00 0.00 H new ATOM 0 HA SER A 11 15.217 -13.057 -20.831 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.848 -12.345 -18.210 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.817 -13.795 -18.384 1.00 0.00 H new ATOM 0 HG SER A 11 16.060 -11.513 -19.370 1.00 0.00 H new ATOM 115 N VAL A 12 13.802 -15.096 -21.000 1.00 0.00 N ATOM 116 CA VAL A 12 12.947 -16.243 -21.281 1.00 0.00 C ATOM 117 C VAL A 12 13.335 -17.441 -20.420 1.00 0.00 C ATOM 118 O VAL A 12 14.486 -17.878 -20.428 1.00 0.00 O ATOM 119 CB VAL A 12 13.020 -16.647 -22.765 1.00 0.00 C ATOM 120 CG1 VAL A 12 12.566 -15.499 -23.654 1.00 0.00 C ATOM 121 CG2 VAL A 12 14.429 -17.089 -23.129 1.00 0.00 C ATOM 0 H VAL A 12 14.788 -15.241 -21.218 1.00 0.00 H new ATOM 0 HA VAL A 12 11.926 -15.943 -21.044 1.00 0.00 H new ATOM 0 HB VAL A 12 12.347 -17.489 -22.927 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.624 -15.803 -24.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.537 -15.235 -23.410 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.211 -14.635 -23.491 1.00 0.00 H new ATOM 0 HG21 VAL A 12 14.461 -17.371 -24.181 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.125 -16.269 -22.951 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.712 -17.944 -22.516 1.00 0.00 H new ATOM 131 N LEU A 13 12.367 -17.967 -19.679 1.00 0.00 N ATOM 132 CA LEU A 13 12.606 -19.116 -18.812 1.00 0.00 C ATOM 133 C LEU A 13 11.326 -19.921 -18.608 1.00 0.00 C ATOM 134 O LEU A 13 10.236 -19.468 -18.955 1.00 0.00 O ATOM 135 CB LEU A 13 13.152 -18.654 -17.459 1.00 0.00 C ATOM 136 CG LEU A 13 14.674 -18.553 -17.349 1.00 0.00 C ATOM 137 CD1 LEU A 13 15.065 -17.566 -16.260 1.00 0.00 C ATOM 138 CD2 LEU A 13 15.280 -19.921 -17.074 1.00 0.00 C ATOM 0 H LEU A 13 11.409 -17.617 -19.661 1.00 0.00 H new ATOM 0 HA LEU A 13 13.343 -19.757 -19.295 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.726 -17.677 -17.232 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.797 -19.343 -16.692 1.00 0.00 H new ATOM 0 HG LEU A 13 15.065 -18.189 -18.299 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.151 -17.507 -16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.661 -16.582 -16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.663 -17.901 -15.304 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.364 -19.830 -16.999 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.883 -20.313 -16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.028 -20.601 -17.888 1.00 0.00 H new ATOM 150 N GLU A 14 11.468 -21.115 -18.042 1.00 0.00 N ATOM 151 CA GLU A 14 10.322 -21.982 -17.792 1.00 0.00 C ATOM 152 C GLU A 14 9.345 -21.325 -16.820 1.00 0.00 C ATOM 153 O GLU A 14 9.680 -21.075 -15.662 1.00 0.00 O ATOM 154 CB GLU A 14 10.785 -23.329 -17.234 1.00 0.00 C ATOM 155 CG GLU A 14 11.642 -24.126 -18.203 1.00 0.00 C ATOM 156 CD GLU A 14 12.184 -25.402 -17.588 1.00 0.00 C ATOM 157 OE1 GLU A 14 11.383 -26.324 -17.330 1.00 0.00 O ATOM 158 OE2 GLU A 14 13.411 -25.478 -17.365 1.00 0.00 O ATOM 0 H GLU A 14 12.364 -21.504 -17.748 1.00 0.00 H new ATOM 0 HA GLU A 14 9.810 -22.147 -18.740 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.350 -23.158 -16.318 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.911 -23.921 -16.964 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.052 -24.374 -19.085 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.474 -23.508 -18.540 1.00 0.00 H new ATOM 165 N MET A 15 8.138 -21.048 -17.301 1.00 0.00 N ATOM 166 CA MET A 15 7.112 -20.421 -16.475 1.00 0.00 C ATOM 167 C MET A 15 5.776 -20.376 -17.209 1.00 0.00 C ATOM 168 O MET A 15 5.706 -19.958 -18.365 1.00 0.00 O ATOM 169 CB MET A 15 7.539 -19.006 -16.081 1.00 0.00 C ATOM 170 CG MET A 15 7.673 -18.060 -17.263 1.00 0.00 C ATOM 171 SD MET A 15 8.303 -16.439 -16.788 1.00 0.00 S ATOM 172 CE MET A 15 8.887 -15.827 -18.367 1.00 0.00 C ATOM 0 H MET A 15 7.846 -21.247 -18.258 1.00 0.00 H new ATOM 0 HA MET A 15 6.990 -21.020 -15.573 1.00 0.00 H new ATOM 0 HB2 MET A 15 6.811 -18.598 -15.380 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.493 -19.056 -15.556 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.340 -18.502 -18.003 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.700 -17.942 -17.741 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.307 -14.829 -18.238 1.00 0.00 H new ATOM 0 HE2 MET A 15 9.655 -16.496 -18.755 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.055 -15.782 -19.070 1.00 0.00 H new ATOM 182 N ILE A 16 4.718 -20.809 -16.530 1.00 0.00 N ATOM 183 CA ILE A 16 3.385 -20.816 -17.118 1.00 0.00 C ATOM 184 C ILE A 16 2.631 -19.532 -16.789 1.00 0.00 C ATOM 185 O ILE A 16 2.096 -19.377 -15.691 1.00 0.00 O ATOM 186 CB ILE A 16 2.561 -22.022 -16.629 1.00 0.00 C ATOM 187 CG1 ILE A 16 3.268 -23.330 -16.989 1.00 0.00 C ATOM 188 CG2 ILE A 16 1.163 -21.986 -17.229 1.00 0.00 C ATOM 189 CD1 ILE A 16 2.871 -24.493 -16.107 1.00 0.00 C ATOM 0 H ILE A 16 4.759 -21.159 -15.573 1.00 0.00 H new ATOM 0 HA ILE A 16 3.517 -20.890 -18.197 1.00 0.00 H new ATOM 0 HB ILE A 16 2.471 -21.967 -15.544 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.047 -23.579 -18.027 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.346 -23.182 -16.919 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.593 -22.844 -16.874 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.661 -21.067 -16.927 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.233 -22.021 -18.316 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.411 -25.387 -16.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.117 -24.264 -15.070 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.799 -24.667 -16.195 1.00 0.00 H new ATOM 201 N LYS A 17 2.592 -18.613 -17.748 1.00 0.00 N ATOM 202 CA LYS A 17 1.901 -17.342 -17.562 1.00 0.00 C ATOM 203 C LYS A 17 0.920 -17.085 -18.702 1.00 0.00 C ATOM 204 O LYS A 17 1.261 -17.244 -19.873 1.00 0.00 O ATOM 205 CB LYS A 17 2.912 -16.197 -17.477 1.00 0.00 C ATOM 206 CG LYS A 17 3.908 -16.348 -16.340 1.00 0.00 C ATOM 207 CD LYS A 17 3.225 -16.256 -14.985 1.00 0.00 C ATOM 208 CE LYS A 17 4.231 -16.340 -13.847 1.00 0.00 C ATOM 209 NZ LYS A 17 4.702 -17.735 -13.626 1.00 0.00 N ATOM 0 H LYS A 17 3.031 -18.724 -18.662 1.00 0.00 H new ATOM 0 HA LYS A 17 1.341 -17.394 -16.628 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.456 -16.133 -18.419 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.374 -15.257 -17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.418 -17.307 -16.427 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.671 -15.573 -16.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.674 -15.318 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.496 -17.061 -14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.084 -15.699 -14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.777 -15.961 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.697 -17.722 -13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.122 -18.185 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.617 -18.275 -14.511 1.00 0.00 H new ATOM 223 N GLU A 18 -0.298 -16.686 -18.349 1.00 0.00 N ATOM 224 CA GLU A 18 -1.327 -16.406 -19.344 1.00 0.00 C ATOM 225 C GLU A 18 -1.989 -15.057 -19.077 1.00 0.00 C ATOM 226 O GLU A 18 -3.049 -14.986 -18.456 1.00 0.00 O ATOM 227 CB GLU A 18 -2.383 -17.513 -19.343 1.00 0.00 C ATOM 228 CG GLU A 18 -1.946 -18.772 -20.073 1.00 0.00 C ATOM 229 CD GLU A 18 -2.896 -19.933 -19.855 1.00 0.00 C ATOM 230 OE1 GLU A 18 -3.881 -20.043 -20.615 1.00 0.00 O ATOM 231 OE2 GLU A 18 -2.656 -20.731 -18.925 1.00 0.00 O ATOM 0 H GLU A 18 -0.596 -16.550 -17.383 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.849 -16.370 -20.323 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.629 -17.768 -18.312 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.295 -17.134 -19.804 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.874 -18.562 -21.140 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.949 -19.055 -19.736 1.00 0.00 H new ATOM 238 N GLU A 19 -1.354 -13.989 -19.551 1.00 0.00 N ATOM 239 CA GLU A 19 -1.880 -12.642 -19.362 1.00 0.00 C ATOM 240 C GLU A 19 -2.122 -12.355 -17.884 1.00 0.00 C ATOM 241 O GLU A 19 -3.073 -11.661 -17.522 1.00 0.00 O ATOM 242 CB GLU A 19 -3.181 -12.465 -20.148 1.00 0.00 C ATOM 243 CG GLU A 19 -2.972 -11.968 -21.568 1.00 0.00 C ATOM 244 CD GLU A 19 -4.235 -12.044 -22.405 1.00 0.00 C ATOM 245 OE1 GLU A 19 -5.265 -11.482 -21.975 1.00 0.00 O ATOM 246 OE2 GLU A 19 -4.194 -12.665 -23.487 1.00 0.00 O ATOM 0 H GLU A 19 -0.476 -14.031 -20.068 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.140 -11.934 -19.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.709 -13.418 -20.180 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.823 -11.762 -19.617 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.621 -10.937 -21.540 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.189 -12.558 -22.044 1.00 0.00 H new ATOM 253 N VAL A 20 -1.255 -12.894 -17.032 1.00 0.00 N ATOM 254 CA VAL A 20 -1.374 -12.696 -15.593 1.00 0.00 C ATOM 255 C VAL A 20 -0.053 -12.226 -14.992 1.00 0.00 C ATOM 256 O VAL A 20 0.220 -12.448 -13.812 1.00 0.00 O ATOM 257 CB VAL A 20 -1.816 -13.989 -14.882 1.00 0.00 C ATOM 258 CG1 VAL A 20 -3.248 -14.341 -15.256 1.00 0.00 C ATOM 259 CG2 VAL A 20 -0.872 -15.133 -15.222 1.00 0.00 C ATOM 0 H VAL A 20 -0.463 -13.471 -17.314 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.134 -11.929 -15.441 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.777 -13.823 -13.805 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.543 -15.257 -14.744 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.912 -13.529 -14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.317 -14.489 -16.334 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.199 -16.039 -14.711 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.878 -15.302 -16.299 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.138 -14.879 -14.900 1.00 0.00 H new ATOM 269 N THR A 21 0.765 -11.574 -15.813 1.00 0.00 N ATOM 270 CA THR A 21 2.057 -11.072 -15.364 1.00 0.00 C ATOM 271 C THR A 21 2.127 -9.553 -15.477 1.00 0.00 C ATOM 272 O THR A 21 1.421 -8.948 -16.284 1.00 0.00 O ATOM 273 CB THR A 21 3.212 -11.690 -16.175 1.00 0.00 C ATOM 274 OG1 THR A 21 3.022 -13.103 -16.299 1.00 0.00 O ATOM 275 CG2 THR A 21 4.551 -11.410 -15.509 1.00 0.00 C ATOM 0 H THR A 21 0.555 -11.382 -16.792 1.00 0.00 H new ATOM 0 HA THR A 21 2.162 -11.360 -14.318 1.00 0.00 H new ATOM 0 HB THR A 21 3.215 -11.236 -17.166 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.759 -13.488 -16.817 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.351 -11.856 -16.099 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.706 -10.333 -15.442 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.556 -11.840 -14.507 1.00 0.00 H new ATOM 283 N CYS A 22 2.983 -8.943 -14.665 1.00 0.00 N ATOM 284 CA CYS A 22 3.146 -7.494 -14.674 1.00 0.00 C ATOM 285 C CYS A 22 3.558 -7.002 -16.058 1.00 0.00 C ATOM 286 O CYS A 22 4.605 -7.371 -16.590 1.00 0.00 O ATOM 287 CB CYS A 22 4.190 -7.071 -13.638 1.00 0.00 C ATOM 288 SG CYS A 22 4.053 -5.333 -13.111 1.00 0.00 S ATOM 0 H CYS A 22 3.575 -9.430 -13.992 1.00 0.00 H new ATOM 0 HA CYS A 22 2.187 -7.043 -14.418 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.098 -7.713 -12.762 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.185 -7.237 -14.052 1.00 0.00 H new ATOM 293 N PRO A 23 2.715 -6.147 -16.657 1.00 0.00 N ATOM 294 CA PRO A 23 2.970 -5.585 -17.986 1.00 0.00 C ATOM 295 C PRO A 23 4.128 -4.593 -17.984 1.00 0.00 C ATOM 296 O PRO A 23 4.438 -3.984 -19.008 1.00 0.00 O ATOM 297 CB PRO A 23 1.658 -4.874 -18.328 1.00 0.00 C ATOM 298 CG PRO A 23 1.048 -4.549 -17.008 1.00 0.00 C ATOM 299 CD PRO A 23 1.448 -5.664 -16.082 1.00 0.00 C ATOM 0 HA PRO A 23 3.255 -6.353 -18.705 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.837 -3.973 -18.914 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.003 -5.514 -18.920 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.406 -3.588 -16.639 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.037 -4.477 -17.086 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.580 -5.310 -15.060 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.695 -6.451 -16.052 1.00 0.00 H new ATOM 307 N ILE A 24 4.765 -4.437 -16.828 1.00 0.00 N ATOM 308 CA ILE A 24 5.890 -3.520 -16.694 1.00 0.00 C ATOM 309 C ILE A 24 7.208 -4.280 -16.590 1.00 0.00 C ATOM 310 O ILE A 24 8.044 -4.221 -17.492 1.00 0.00 O ATOM 311 CB ILE A 24 5.734 -2.614 -15.459 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.546 -1.666 -15.641 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.013 -1.827 -15.214 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.222 -0.858 -14.404 1.00 0.00 C ATOM 0 H ILE A 24 4.521 -4.934 -15.971 1.00 0.00 H new ATOM 0 HA ILE A 24 5.900 -2.899 -17.590 1.00 0.00 H new ATOM 0 HB ILE A 24 5.544 -3.242 -14.588 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.758 -0.985 -16.465 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.669 -2.247 -15.926 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.887 -1.191 -14.338 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.839 -2.518 -15.045 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.231 -1.207 -16.084 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.370 -0.209 -14.606 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.978 -1.532 -13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.084 -0.250 -14.130 1.00 0.00 H new ATOM 326 N CYS A 25 7.387 -4.995 -15.484 1.00 0.00 N ATOM 327 CA CYS A 25 8.603 -5.768 -15.261 1.00 0.00 C ATOM 328 C CYS A 25 8.516 -7.128 -15.948 1.00 0.00 C ATOM 329 O CYS A 25 9.534 -7.718 -16.312 1.00 0.00 O ATOM 330 CB CYS A 25 8.844 -5.956 -13.762 1.00 0.00 C ATOM 331 SG CYS A 25 7.390 -6.557 -12.844 1.00 0.00 S ATOM 0 H CYS A 25 6.705 -5.055 -14.728 1.00 0.00 H new ATOM 0 HA CYS A 25 9.439 -5.216 -15.691 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.665 -6.660 -13.622 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.163 -5.006 -13.334 1.00 0.00 H new ATOM 336 N LEU A 26 7.294 -7.619 -16.122 1.00 0.00 N ATOM 337 CA LEU A 26 7.073 -8.910 -16.766 1.00 0.00 C ATOM 338 C LEU A 26 7.549 -10.052 -15.874 1.00 0.00 C ATOM 339 O LEU A 26 8.273 -10.941 -16.321 1.00 0.00 O ATOM 340 CB LEU A 26 7.800 -8.962 -18.111 1.00 0.00 C ATOM 341 CG LEU A 26 7.595 -7.757 -19.031 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.694 -7.695 -20.080 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.226 -7.818 -19.693 1.00 0.00 C ATOM 0 H LEU A 26 6.441 -7.143 -15.827 1.00 0.00 H new ATOM 0 HA LEU A 26 6.002 -9.026 -16.934 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.868 -9.071 -17.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.478 -9.858 -18.641 1.00 0.00 H new ATOM 0 HG LEU A 26 7.644 -6.850 -18.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.532 -6.832 -20.726 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.662 -7.604 -19.588 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.676 -8.605 -20.680 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.098 -6.953 -20.344 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.148 -8.731 -20.283 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.451 -7.814 -18.927 1.00 0.00 H new ATOM 355 N GLU A 27 7.136 -10.021 -14.611 1.00 0.00 N ATOM 356 CA GLU A 27 7.519 -11.055 -13.657 1.00 0.00 C ATOM 357 C GLU A 27 6.442 -11.239 -12.592 1.00 0.00 C ATOM 358 O GLU A 27 5.554 -10.399 -12.438 1.00 0.00 O ATOM 359 CB GLU A 27 8.852 -10.700 -12.994 1.00 0.00 C ATOM 360 CG GLU A 27 8.738 -9.602 -11.949 1.00 0.00 C ATOM 361 CD GLU A 27 9.764 -9.743 -10.842 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.914 -10.124 -11.144 1.00 0.00 O ATOM 363 OE2 GLU A 27 9.418 -9.472 -9.673 1.00 0.00 O ATOM 0 H GLU A 27 6.537 -9.292 -14.225 1.00 0.00 H new ATOM 0 HA GLU A 27 7.631 -11.992 -14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.265 -11.594 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.559 -10.387 -13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.860 -8.632 -12.431 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.738 -9.619 -11.517 1.00 0.00 H new ATOM 370 N LEU A 28 6.526 -12.344 -11.859 1.00 0.00 N ATOM 371 CA LEU A 28 5.559 -12.641 -10.808 1.00 0.00 C ATOM 372 C LEU A 28 5.127 -11.366 -10.090 1.00 0.00 C ATOM 373 O LEU A 28 5.958 -10.625 -9.564 1.00 0.00 O ATOM 374 CB LEU A 28 6.154 -13.629 -9.804 1.00 0.00 C ATOM 375 CG LEU A 28 5.995 -15.111 -10.145 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.879 -15.963 -9.248 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.539 -15.534 -10.019 1.00 0.00 C ATOM 0 H LEU A 28 7.254 -13.049 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 28 4.681 -13.090 -11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.217 -13.413 -9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.695 -13.449 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 28 6.308 -15.262 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.752 -17.015 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.922 -15.678 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.597 -15.808 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.445 -16.592 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.199 -15.368 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.929 -14.946 -10.704 1.00 0.00 H new ATOM 389 N LEU A 29 3.822 -11.118 -10.070 1.00 0.00 N ATOM 390 CA LEU A 29 3.279 -9.934 -9.414 1.00 0.00 C ATOM 391 C LEU A 29 3.383 -10.056 -7.897 1.00 0.00 C ATOM 392 O LEU A 29 2.737 -10.907 -7.285 1.00 0.00 O ATOM 393 CB LEU A 29 1.819 -9.726 -9.821 1.00 0.00 C ATOM 394 CG LEU A 29 1.574 -9.391 -11.293 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.235 -9.947 -11.751 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.632 -7.886 -11.514 1.00 0.00 C ATOM 0 H LEU A 29 3.121 -11.721 -10.500 1.00 0.00 H new ATOM 0 HA LEU A 29 3.865 -9.072 -9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.262 -10.631 -9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.404 -8.923 -9.212 1.00 0.00 H new ATOM 0 HG LEU A 29 2.360 -9.856 -11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.078 -9.699 -12.801 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.230 -11.030 -11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.564 -9.511 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.456 -7.666 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.867 -7.400 -10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.615 -7.513 -11.225 1.00 0.00 H new ATOM 408 N LYS A 30 4.199 -9.197 -7.294 1.00 0.00 N ATOM 409 CA LYS A 30 4.386 -9.205 -5.848 1.00 0.00 C ATOM 410 C LYS A 30 3.494 -8.165 -5.178 1.00 0.00 C ATOM 411 O LYS A 30 3.628 -6.967 -5.428 1.00 0.00 O ATOM 412 CB LYS A 30 5.852 -8.935 -5.501 1.00 0.00 C ATOM 413 CG LYS A 30 6.136 -8.943 -4.009 1.00 0.00 C ATOM 414 CD LYS A 30 7.310 -8.046 -3.660 1.00 0.00 C ATOM 415 CE LYS A 30 6.911 -6.578 -3.666 1.00 0.00 C ATOM 416 NZ LYS A 30 8.009 -5.703 -3.169 1.00 0.00 N ATOM 0 H LYS A 30 4.741 -8.486 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 30 4.107 -10.191 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.475 -9.687 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.142 -7.968 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.250 -8.611 -3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.346 -9.962 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.695 -8.315 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.118 -8.208 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.639 -6.280 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.026 -6.439 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.698 -4.711 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.252 -5.971 -2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.845 -5.816 -3.777 1.00 0.00 H new ATOM 430 N GLU A 31 2.585 -8.630 -4.327 1.00 0.00 N ATOM 431 CA GLU A 31 1.672 -7.739 -3.622 1.00 0.00 C ATOM 432 C GLU A 31 1.177 -6.628 -4.543 1.00 0.00 C ATOM 433 O GLU A 31 1.281 -5.440 -4.237 1.00 0.00 O ATOM 434 CB GLU A 31 2.361 -7.131 -2.398 1.00 0.00 C ATOM 435 CG GLU A 31 2.794 -8.162 -1.369 1.00 0.00 C ATOM 436 CD GLU A 31 1.626 -8.947 -0.803 1.00 0.00 C ATOM 437 OE1 GLU A 31 0.618 -8.317 -0.420 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.720 -10.191 -0.744 1.00 0.00 O ATOM 0 H GLU A 31 2.461 -9.619 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 31 0.814 -8.326 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.235 -6.568 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.683 -6.421 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.503 -8.852 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.318 -7.660 -0.556 1.00 0.00 H new ATOM 445 N PRO A 32 0.624 -7.022 -5.700 1.00 0.00 N ATOM 446 CA PRO A 32 0.101 -6.076 -6.690 1.00 0.00 C ATOM 447 C PRO A 32 -1.166 -5.376 -6.210 1.00 0.00 C ATOM 448 O PRO A 32 -1.750 -5.754 -5.194 1.00 0.00 O ATOM 449 CB PRO A 32 -0.204 -6.962 -7.900 1.00 0.00 C ATOM 450 CG PRO A 32 -0.436 -8.318 -7.329 1.00 0.00 C ATOM 451 CD PRO A 32 0.466 -8.421 -6.130 1.00 0.00 C ATOM 0 HA PRO A 32 0.808 -5.273 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.081 -6.605 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.626 -6.967 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.480 -8.448 -7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.205 -9.094 -8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.023 -9.035 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.424 -8.873 -6.386 1.00 0.00 H new ATOM 459 N VAL A 33 -1.587 -4.353 -6.947 1.00 0.00 N ATOM 460 CA VAL A 33 -2.786 -3.600 -6.598 1.00 0.00 C ATOM 461 C VAL A 33 -3.723 -3.472 -7.794 1.00 0.00 C ATOM 462 O VAL A 33 -3.350 -2.924 -8.831 1.00 0.00 O ATOM 463 CB VAL A 33 -2.434 -2.193 -6.081 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.565 -2.282 -4.836 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.742 -1.384 -7.168 1.00 0.00 C ATOM 0 H VAL A 33 -1.115 -4.026 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.289 -4.154 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.359 -1.682 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.327 -1.278 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.102 -2.821 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.642 -2.812 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.500 -0.392 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.825 -1.890 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.404 -1.289 -8.029 1.00 0.00 H new ATOM 475 N SER A 34 -4.941 -3.981 -7.641 1.00 0.00 N ATOM 476 CA SER A 34 -5.931 -3.926 -8.710 1.00 0.00 C ATOM 477 C SER A 34 -6.406 -2.494 -8.939 1.00 0.00 C ATOM 478 O SER A 34 -6.444 -1.686 -8.011 1.00 0.00 O ATOM 479 CB SER A 34 -7.124 -4.823 -8.376 1.00 0.00 C ATOM 480 OG SER A 34 -6.756 -6.192 -8.401 1.00 0.00 O ATOM 0 H SER A 34 -5.266 -4.436 -6.788 1.00 0.00 H new ATOM 0 HA SER A 34 -5.460 -4.285 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.512 -4.565 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.927 -4.646 -9.091 1.00 0.00 H new ATOM 0 HG SER A 34 -7.536 -6.744 -8.183 1.00 0.00 H new ATOM 486 N ALA A 35 -6.767 -2.188 -10.180 1.00 0.00 N ATOM 487 CA ALA A 35 -7.241 -0.855 -10.532 1.00 0.00 C ATOM 488 C ALA A 35 -8.581 -0.922 -11.257 1.00 0.00 C ATOM 489 O ALA A 35 -9.037 -2.000 -11.639 1.00 0.00 O ATOM 490 CB ALA A 35 -6.210 -0.137 -11.390 1.00 0.00 C ATOM 0 H ALA A 35 -6.740 -2.845 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.385 -0.293 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.578 0.857 -11.645 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.275 -0.047 -10.837 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.038 -0.706 -12.304 1.00 0.00 H new ATOM 496 N ASP A 36 -9.206 0.235 -11.442 1.00 0.00 N ATOM 497 CA ASP A 36 -10.494 0.307 -12.122 1.00 0.00 C ATOM 498 C ASP A 36 -10.443 -0.420 -13.462 1.00 0.00 C ATOM 499 O ASP A 36 -11.399 -1.090 -13.853 1.00 0.00 O ATOM 500 CB ASP A 36 -10.901 1.766 -12.335 1.00 0.00 C ATOM 501 CG ASP A 36 -11.647 2.338 -11.145 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.990 2.668 -10.136 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.888 2.456 -11.224 1.00 0.00 O ATOM 0 H ASP A 36 -8.842 1.136 -11.131 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.237 -0.182 -11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.010 2.365 -12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.529 1.839 -13.223 1.00 0.00 H new ATOM 508 N CYS A 37 -9.322 -0.282 -14.162 1.00 0.00 N ATOM 509 CA CYS A 37 -9.146 -0.924 -15.459 1.00 0.00 C ATOM 510 C CYS A 37 -8.709 -2.377 -15.292 1.00 0.00 C ATOM 511 O CYS A 37 -7.894 -2.883 -16.061 1.00 0.00 O ATOM 512 CB CYS A 37 -8.114 -0.163 -16.292 1.00 0.00 C ATOM 513 SG CYS A 37 -6.530 0.120 -15.437 1.00 0.00 S ATOM 0 H CYS A 37 -8.521 0.269 -13.852 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.105 -0.908 -15.977 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.924 -0.718 -17.211 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.535 0.800 -16.582 1.00 0.00 H new ATOM 518 N ASN A 38 -9.259 -3.042 -14.280 1.00 0.00 N ATOM 519 CA ASN A 38 -8.926 -4.436 -14.011 1.00 0.00 C ATOM 520 C ASN A 38 -7.458 -4.714 -14.319 1.00 0.00 C ATOM 521 O ASN A 38 -7.115 -5.762 -14.867 1.00 0.00 O ATOM 522 CB ASN A 38 -9.817 -5.363 -14.841 1.00 0.00 C ATOM 523 CG ASN A 38 -11.289 -5.191 -14.518 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.648 -4.684 -13.456 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.149 -5.615 -15.437 1.00 0.00 N ATOM 0 H ASN A 38 -9.937 -2.638 -13.634 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.099 -4.628 -12.952 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.655 -5.166 -15.901 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.527 -6.398 -14.661 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.152 -5.526 -15.276 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.806 -6.029 -16.304 1.00 0.00 H new ATOM 532 N HIS A 39 -6.595 -3.768 -13.962 1.00 0.00 N ATOM 533 CA HIS A 39 -5.163 -3.912 -14.199 1.00 0.00 C ATOM 534 C HIS A 39 -4.380 -3.774 -12.896 1.00 0.00 C ATOM 535 O HIS A 39 -4.426 -2.733 -12.240 1.00 0.00 O ATOM 536 CB HIS A 39 -4.684 -2.867 -15.207 1.00 0.00 C ATOM 537 CG HIS A 39 -5.224 -3.076 -16.588 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.239 -2.087 -17.548 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.769 -4.170 -17.169 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.772 -2.563 -18.660 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.101 -3.825 -18.456 1.00 0.00 N ATOM 0 H HIS A 39 -6.862 -2.894 -13.508 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.986 -4.907 -14.606 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.976 -1.877 -14.858 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.595 -2.883 -15.245 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.916 -5.135 -16.706 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.914 -2.013 -19.579 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.532 -4.444 -19.143 1.00 0.00 H new ATOM 549 N SER A 40 -3.664 -4.831 -12.527 1.00 0.00 N ATOM 550 CA SER A 40 -2.876 -4.830 -11.300 1.00 0.00 C ATOM 551 C SER A 40 -1.383 -4.800 -11.614 1.00 0.00 C ATOM 552 O SER A 40 -0.937 -5.355 -12.619 1.00 0.00 O ATOM 553 CB SER A 40 -3.206 -6.062 -10.455 1.00 0.00 C ATOM 554 OG SER A 40 -2.893 -7.256 -11.150 1.00 0.00 O ATOM 0 H SER A 40 -3.613 -5.699 -13.060 1.00 0.00 H new ATOM 0 HA SER A 40 -3.130 -3.933 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.648 -6.025 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.265 -6.056 -10.195 1.00 0.00 H new ATOM 0 HG SER A 40 -3.111 -8.029 -10.588 1.00 0.00 H new ATOM 560 N PHE A 41 -0.615 -4.149 -10.746 1.00 0.00 N ATOM 561 CA PHE A 41 0.828 -4.045 -10.930 1.00 0.00 C ATOM 562 C PHE A 41 1.552 -4.099 -9.588 1.00 0.00 C ATOM 563 O PHE A 41 0.988 -3.751 -8.550 1.00 0.00 O ATOM 564 CB PHE A 41 1.178 -2.746 -11.659 1.00 0.00 C ATOM 565 CG PHE A 41 0.139 -2.319 -12.656 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.971 -1.594 -12.253 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.271 -2.644 -13.997 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.929 -1.200 -13.168 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.683 -2.252 -14.916 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.785 -1.530 -14.501 1.00 0.00 C ATOM 0 H PHE A 41 -0.968 -3.686 -9.909 1.00 0.00 H new ATOM 0 HA PHE A 41 1.154 -4.892 -11.534 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.313 -1.952 -10.925 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.132 -2.872 -12.172 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.089 -1.334 -11.211 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.129 -3.210 -14.327 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.789 -0.635 -12.841 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.567 -2.510 -15.958 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.533 -1.224 -15.218 1.00 0.00 H new ATOM 580 N CYS A 42 2.805 -4.540 -9.617 1.00 0.00 N ATOM 581 CA CYS A 42 3.608 -4.641 -8.404 1.00 0.00 C ATOM 582 C CYS A 42 3.456 -3.390 -7.544 1.00 0.00 C ATOM 583 O CYS A 42 3.619 -2.269 -8.027 1.00 0.00 O ATOM 584 CB CYS A 42 5.081 -4.854 -8.759 1.00 0.00 C ATOM 585 SG CYS A 42 5.375 -6.221 -9.927 1.00 0.00 S ATOM 0 H CYS A 42 3.286 -4.833 -10.467 1.00 0.00 H new ATOM 0 HA CYS A 42 3.251 -5.498 -7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.477 -3.933 -9.187 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.640 -5.046 -7.843 1.00 0.00 H new ATOM 590 N ARG A 43 3.143 -3.590 -6.268 1.00 0.00 N ATOM 591 CA ARG A 43 2.968 -2.479 -5.341 1.00 0.00 C ATOM 592 C ARG A 43 3.929 -1.340 -5.670 1.00 0.00 C ATOM 593 O ARG A 43 3.553 -0.169 -5.638 1.00 0.00 O ATOM 594 CB ARG A 43 3.190 -2.947 -3.902 1.00 0.00 C ATOM 595 CG ARG A 43 3.152 -1.821 -2.882 1.00 0.00 C ATOM 596 CD ARG A 43 1.740 -1.291 -2.689 1.00 0.00 C ATOM 597 NE ARG A 43 1.678 -0.261 -1.656 1.00 0.00 N ATOM 598 CZ ARG A 43 0.544 0.276 -1.220 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.617 -0.119 -1.724 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.570 1.209 -0.277 1.00 0.00 N ATOM 0 H ARG A 43 3.005 -4.511 -5.853 1.00 0.00 H new ATOM 0 HA ARG A 43 1.947 -2.112 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.427 -3.683 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.154 -3.452 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.541 -2.179 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.804 -1.011 -3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.375 -0.882 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.078 -2.114 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 43 2.554 0.064 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.641 -0.837 -2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.486 0.295 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.461 1.514 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.301 1.621 0.057 1.00 0.00 H new ATOM 614 N ALA A 44 5.171 -1.693 -5.986 1.00 0.00 N ATOM 615 CA ALA A 44 6.185 -0.701 -6.322 1.00 0.00 C ATOM 616 C ALA A 44 5.994 -0.181 -7.743 1.00 0.00 C ATOM 617 O ALA A 44 5.861 1.023 -7.961 1.00 0.00 O ATOM 618 CB ALA A 44 7.577 -1.293 -6.157 1.00 0.00 C ATOM 0 H ALA A 44 5.499 -2.658 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 44 6.076 0.140 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.324 -0.541 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.718 -1.610 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.687 -2.153 -6.818 1.00 0.00 H new ATOM 624 N CYS A 45 5.983 -1.096 -8.707 1.00 0.00 N ATOM 625 CA CYS A 45 5.810 -0.730 -10.107 1.00 0.00 C ATOM 626 C CYS A 45 4.825 0.426 -10.249 1.00 0.00 C ATOM 627 O CYS A 45 5.202 1.532 -10.638 1.00 0.00 O ATOM 628 CB CYS A 45 5.321 -1.934 -10.914 1.00 0.00 C ATOM 629 SG CYS A 45 6.651 -3.052 -11.463 1.00 0.00 S ATOM 0 H CYS A 45 6.092 -2.097 -8.543 1.00 0.00 H new ATOM 0 HA CYS A 45 6.777 -0.410 -10.495 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.612 -2.500 -10.309 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.778 -1.575 -11.789 1.00 0.00 H new ATOM 634 N ILE A 46 3.562 0.162 -9.932 1.00 0.00 N ATOM 635 CA ILE A 46 2.523 1.180 -10.023 1.00 0.00 C ATOM 636 C ILE A 46 2.980 2.490 -9.390 1.00 0.00 C ATOM 637 O ILE A 46 2.599 3.574 -9.835 1.00 0.00 O ATOM 638 CB ILE A 46 1.222 0.720 -9.340 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.142 1.795 -9.472 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.478 0.397 -7.875 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.657 1.695 -10.753 1.00 0.00 C ATOM 0 H ILE A 46 3.234 -0.748 -9.610 1.00 0.00 H new ATOM 0 HA ILE A 46 2.330 1.339 -11.084 1.00 0.00 H new ATOM 0 HB ILE A 46 0.870 -0.185 -9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.538 1.722 -8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.611 2.778 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.549 0.073 -7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.218 -0.400 -7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.851 1.286 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.404 2.488 -10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.011 1.798 -11.608 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.155 0.726 -10.797 1.00 0.00 H new ATOM 653 N THR A 47 3.801 2.384 -8.351 1.00 0.00 N ATOM 654 CA THR A 47 4.312 3.560 -7.657 1.00 0.00 C ATOM 655 C THR A 47 5.408 4.243 -8.466 1.00 0.00 C ATOM 656 O THR A 47 5.255 5.389 -8.893 1.00 0.00 O ATOM 657 CB THR A 47 4.868 3.195 -6.267 1.00 0.00 C ATOM 658 OG1 THR A 47 3.886 2.465 -5.523 1.00 0.00 O ATOM 659 CG2 THR A 47 5.268 4.445 -5.499 1.00 0.00 C ATOM 0 H THR A 47 4.127 1.495 -7.971 1.00 0.00 H new ATOM 0 HA THR A 47 3.473 4.245 -7.536 1.00 0.00 H new ATOM 0 HB THR A 47 5.753 2.574 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.915 1.520 -5.782 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.657 4.162 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.037 4.983 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.397 5.087 -5.371 1.00 0.00 H new ATOM 667 N LEU A 48 6.512 3.535 -8.675 1.00 0.00 N ATOM 668 CA LEU A 48 7.634 4.074 -9.435 1.00 0.00 C ATOM 669 C LEU A 48 7.161 4.672 -10.755 1.00 0.00 C ATOM 670 O LEU A 48 7.638 5.724 -11.178 1.00 0.00 O ATOM 671 CB LEU A 48 8.669 2.979 -9.700 1.00 0.00 C ATOM 672 CG LEU A 48 10.127 3.434 -9.762 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.299 4.533 -10.799 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.597 3.910 -8.395 1.00 0.00 C ATOM 0 H LEU A 48 6.654 2.586 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 48 8.094 4.865 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.578 2.224 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.421 2.493 -10.643 1.00 0.00 H new ATOM 0 HG LEU A 48 10.740 2.583 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.343 4.845 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.004 4.158 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.674 5.385 -10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.637 4.230 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.979 4.747 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.512 3.095 -7.677 1.00 0.00 H new ATOM 686 N ASN A 49 6.217 3.994 -11.401 1.00 0.00 N ATOM 687 CA ASN A 49 5.677 4.460 -12.674 1.00 0.00 C ATOM 688 C ASN A 49 4.935 5.782 -12.499 1.00 0.00 C ATOM 689 O ASN A 49 5.181 6.744 -13.226 1.00 0.00 O ATOM 690 CB ASN A 49 4.737 3.409 -13.267 1.00 0.00 C ATOM 691 CG ASN A 49 4.291 3.761 -14.674 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.274 4.427 -14.866 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.053 3.312 -15.665 1.00 0.00 N ATOM 0 H ASN A 49 5.811 3.121 -11.064 1.00 0.00 H new ATOM 0 HA ASN A 49 6.511 4.620 -13.358 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.239 2.442 -13.279 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.861 3.306 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.804 3.516 -16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.888 2.763 -15.458 1.00 0.00 H new ATOM 700 N TYR A 50 4.028 5.820 -11.530 1.00 0.00 N ATOM 701 CA TYR A 50 3.249 7.023 -11.260 1.00 0.00 C ATOM 702 C TYR A 50 4.157 8.240 -11.118 1.00 0.00 C ATOM 703 O TYR A 50 3.867 9.310 -11.653 1.00 0.00 O ATOM 704 CB TYR A 50 2.417 6.843 -9.989 1.00 0.00 C ATOM 705 CG TYR A 50 1.970 8.147 -9.368 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.792 8.764 -9.772 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.724 8.761 -8.376 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.381 9.956 -9.208 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.319 9.952 -7.805 1.00 0.00 C ATOM 710 CZ TYR A 50 1.147 10.546 -8.225 1.00 0.00 C ATOM 711 OH TYR A 50 0.740 11.732 -7.659 1.00 0.00 O ATOM 0 H TYR A 50 3.814 5.032 -10.918 1.00 0.00 H new ATOM 0 HA TYR A 50 2.580 7.188 -12.104 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.538 6.241 -10.222 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.002 6.284 -9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.188 8.304 -10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.643 8.299 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.536 10.424 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.917 10.415 -7.034 1.00 0.00 H new ATOM 0 HH TYR A 50 1.391 12.012 -6.982 1.00 0.00 H new ATOM 721 N GLU A 51 5.258 8.068 -10.393 1.00 0.00 N ATOM 722 CA GLU A 51 6.210 9.152 -10.181 1.00 0.00 C ATOM 723 C GLU A 51 6.562 9.833 -11.500 1.00 0.00 C ATOM 724 O GLU A 51 6.549 11.060 -11.600 1.00 0.00 O ATOM 725 CB GLU A 51 7.480 8.622 -9.513 1.00 0.00 C ATOM 726 CG GLU A 51 7.258 8.119 -8.096 1.00 0.00 C ATOM 727 CD GLU A 51 6.676 9.182 -7.184 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.386 10.166 -6.891 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.510 9.028 -6.765 1.00 0.00 O ATOM 0 H GLU A 51 5.513 7.189 -9.943 1.00 0.00 H new ATOM 0 HA GLU A 51 5.744 9.888 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.887 7.812 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.229 9.414 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.588 7.260 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.206 7.772 -7.685 1.00 0.00 H new ATOM 736 N SER A 52 6.876 9.028 -12.510 1.00 0.00 N ATOM 737 CA SER A 52 7.236 9.552 -13.822 1.00 0.00 C ATOM 738 C SER A 52 5.989 9.881 -14.636 1.00 0.00 C ATOM 739 O SER A 52 5.788 11.022 -15.050 1.00 0.00 O ATOM 740 CB SER A 52 8.101 8.542 -14.578 1.00 0.00 C ATOM 741 OG SER A 52 9.470 8.689 -14.240 1.00 0.00 O ATOM 0 H SER A 52 6.888 8.010 -12.445 1.00 0.00 H new ATOM 0 HA SER A 52 7.806 10.470 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.772 7.530 -14.344 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.971 8.679 -15.652 1.00 0.00 H new ATOM 0 HG SER A 52 10.002 8.031 -14.735 1.00 0.00 H new ATOM 747 N ASN A 53 5.155 8.872 -14.863 1.00 0.00 N ATOM 748 CA ASN A 53 3.927 9.052 -15.629 1.00 0.00 C ATOM 749 C ASN A 53 2.803 9.576 -14.739 1.00 0.00 C ATOM 750 O ASN A 53 2.180 8.817 -13.997 1.00 0.00 O ATOM 751 CB ASN A 53 3.506 7.732 -16.276 1.00 0.00 C ATOM 752 CG ASN A 53 4.554 7.197 -17.233 1.00 0.00 C ATOM 753 OD1 ASN A 53 4.385 7.253 -18.451 1.00 0.00 O ATOM 754 ND2 ASN A 53 5.645 6.675 -16.684 1.00 0.00 N ATOM 0 H ASN A 53 5.307 7.921 -14.527 1.00 0.00 H new ATOM 0 HA ASN A 53 4.121 9.786 -16.411 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.318 6.993 -15.497 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.568 7.876 -16.812 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.385 6.300 -17.277 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.743 6.649 -15.669 1.00 0.00 H new ATOM 761 N ARG A 54 2.550 10.878 -14.820 1.00 0.00 N ATOM 762 CA ARG A 54 1.503 11.504 -14.022 1.00 0.00 C ATOM 763 C ARG A 54 1.042 12.812 -14.660 1.00 0.00 C ATOM 764 O ARG A 54 1.734 13.380 -15.504 1.00 0.00 O ATOM 765 CB ARG A 54 2.002 11.766 -12.600 1.00 0.00 C ATOM 766 CG ARG A 54 3.115 12.798 -12.526 1.00 0.00 C ATOM 767 CD ARG A 54 3.363 13.247 -11.094 1.00 0.00 C ATOM 768 NE ARG A 54 4.671 13.878 -10.938 1.00 0.00 N ATOM 769 CZ ARG A 54 5.324 13.938 -9.783 1.00 0.00 C ATOM 770 NH1 ARG A 54 4.794 13.408 -8.689 1.00 0.00 N ATOM 771 NH2 ARG A 54 6.511 14.529 -9.720 1.00 0.00 N ATOM 0 H ARG A 54 3.056 11.520 -15.430 1.00 0.00 H new ATOM 0 HA ARG A 54 0.655 10.820 -13.981 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.166 12.101 -11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.357 10.829 -12.170 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.031 12.377 -12.941 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.854 13.661 -13.139 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.584 13.948 -10.794 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.293 12.388 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 54 5.107 14.295 -11.761 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.882 12.953 -8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.298 13.456 -7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.922 14.938 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.012 14.575 -8.832 1.00 0.00 H new ATOM 785 N ASN A 55 -0.131 13.283 -14.250 1.00 0.00 N ATOM 786 CA ASN A 55 -0.685 14.523 -14.781 1.00 0.00 C ATOM 787 C ASN A 55 -0.533 15.661 -13.776 1.00 0.00 C ATOM 788 O ASN A 55 -0.177 15.439 -12.619 1.00 0.00 O ATOM 789 CB ASN A 55 -2.161 14.335 -15.137 1.00 0.00 C ATOM 790 CG ASN A 55 -2.351 13.721 -16.511 1.00 0.00 C ATOM 791 OD1 ASN A 55 -1.656 14.076 -17.463 1.00 0.00 O ATOM 792 ND2 ASN A 55 -3.297 12.795 -16.619 1.00 0.00 N ATOM 0 H ASN A 55 -0.716 12.825 -13.552 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.131 14.783 -15.683 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.634 13.699 -14.389 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.667 15.300 -15.100 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.472 12.347 -17.518 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.849 12.532 -15.802 1.00 0.00 H new ATOM 799 N THR A 56 -0.807 16.882 -14.227 1.00 0.00 N ATOM 800 CA THR A 56 -0.701 18.055 -13.369 1.00 0.00 C ATOM 801 C THR A 56 -1.984 18.272 -12.574 1.00 0.00 C ATOM 802 O THR A 56 -2.334 19.404 -12.241 1.00 0.00 O ATOM 803 CB THR A 56 -0.397 19.324 -14.187 1.00 0.00 C ATOM 804 OG1 THR A 56 -0.068 20.406 -13.309 1.00 0.00 O ATOM 805 CG2 THR A 56 -1.588 19.709 -15.052 1.00 0.00 C ATOM 0 H THR A 56 -1.104 17.083 -15.182 1.00 0.00 H new ATOM 0 HA THR A 56 0.123 17.869 -12.680 1.00 0.00 H new ATOM 0 HB THR A 56 0.452 19.115 -14.838 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.789 20.528 -12.656 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.349 20.608 -15.620 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.816 18.895 -15.740 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.453 19.900 -14.416 1.00 0.00 H new ATOM 813 N ASP A 57 -2.679 17.181 -12.272 1.00 0.00 N ATOM 814 CA ASP A 57 -3.923 17.253 -11.514 1.00 0.00 C ATOM 815 C ASP A 57 -3.859 16.359 -10.279 1.00 0.00 C ATOM 816 O ASP A 57 -4.278 16.754 -9.192 1.00 0.00 O ATOM 817 CB ASP A 57 -5.105 16.845 -12.393 1.00 0.00 C ATOM 818 CG ASP A 57 -5.116 17.572 -13.723 1.00 0.00 C ATOM 819 OD1 ASP A 57 -5.185 18.819 -13.716 1.00 0.00 O ATOM 820 OD2 ASP A 57 -5.057 16.895 -14.771 1.00 0.00 O ATOM 0 H ASP A 57 -2.402 16.237 -12.540 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.062 18.284 -11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.068 15.770 -12.570 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.035 17.049 -11.863 1.00 0.00 H new ATOM 825 N GLY A 58 -3.331 15.152 -10.455 1.00 0.00 N ATOM 826 CA GLY A 58 -3.223 14.220 -9.348 1.00 0.00 C ATOM 827 C GLY A 58 -3.329 12.775 -9.793 1.00 0.00 C ATOM 828 O GLY A 58 -2.600 11.912 -9.304 1.00 0.00 O ATOM 0 H GLY A 58 -2.976 14.803 -11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.270 14.372 -8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.008 14.431 -8.621 1.00 0.00 H new ATOM 832 N LYS A 59 -4.241 12.509 -10.722 1.00 0.00 N ATOM 833 CA LYS A 59 -4.441 11.159 -11.233 1.00 0.00 C ATOM 834 C LYS A 59 -3.350 10.788 -12.233 1.00 0.00 C ATOM 835 O LYS A 59 -2.829 11.645 -12.944 1.00 0.00 O ATOM 836 CB LYS A 59 -5.815 11.041 -11.896 1.00 0.00 C ATOM 837 CG LYS A 59 -6.969 11.043 -10.908 1.00 0.00 C ATOM 838 CD LYS A 59 -8.264 10.589 -11.562 1.00 0.00 C ATOM 839 CE LYS A 59 -9.378 10.427 -10.539 1.00 0.00 C ATOM 840 NZ LYS A 59 -10.427 9.480 -11.007 1.00 0.00 N ATOM 0 H LYS A 59 -4.854 13.211 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.389 10.468 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.944 11.868 -12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.849 10.122 -12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.733 10.386 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.098 12.046 -10.500 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.565 11.315 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.101 9.642 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.959 10.069 -9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.830 11.398 -10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.338 9.976 -11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.167 9.108 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.510 8.693 -10.333 1.00 0.00 H new ATOM 854 N GLY A 60 -3.010 9.503 -12.281 1.00 0.00 N ATOM 855 CA GLY A 60 -1.983 9.042 -13.197 1.00 0.00 C ATOM 856 C GLY A 60 -2.557 8.276 -14.373 1.00 0.00 C ATOM 857 O GLY A 60 -3.756 8.003 -14.418 1.00 0.00 O ATOM 0 H GLY A 60 -3.427 8.774 -11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.418 9.898 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.281 8.404 -12.660 1.00 0.00 H new ATOM 861 N ASN A 61 -1.700 7.928 -15.326 1.00 0.00 N ATOM 862 CA ASN A 61 -2.129 7.191 -16.509 1.00 0.00 C ATOM 863 C ASN A 61 -1.597 5.761 -16.482 1.00 0.00 C ATOM 864 O ASN A 61 -0.471 5.514 -16.047 1.00 0.00 O ATOM 865 CB ASN A 61 -1.653 7.900 -17.779 1.00 0.00 C ATOM 866 CG ASN A 61 -0.144 8.037 -17.833 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.549 7.176 -18.376 1.00 0.00 O ATOM 868 ND2 ASN A 61 0.372 9.122 -17.269 1.00 0.00 N ATOM 0 H ASN A 61 -0.703 8.144 -15.303 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.218 7.155 -16.508 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.996 7.345 -18.652 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.107 8.890 -17.831 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.381 9.269 -17.274 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.241 9.809 -16.830 1.00 0.00 H new ATOM 875 N CYS A 62 -2.413 4.823 -16.949 1.00 0.00 N ATOM 876 CA CYS A 62 -2.026 3.417 -16.979 1.00 0.00 C ATOM 877 C CYS A 62 -1.136 3.124 -18.183 1.00 0.00 C ATOM 878 O CYS A 62 -1.468 3.445 -19.324 1.00 0.00 O ATOM 879 CB CYS A 62 -3.268 2.525 -17.019 1.00 0.00 C ATOM 880 SG CYS A 62 -2.908 0.744 -16.897 1.00 0.00 S ATOM 0 H CYS A 62 -3.347 5.011 -17.312 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.462 3.201 -16.071 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.932 2.807 -16.202 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.808 2.713 -17.947 1.00 0.00 H new ATOM 885 N PRO A 63 0.022 2.499 -17.924 1.00 0.00 N ATOM 886 CA PRO A 63 0.984 2.148 -18.974 1.00 0.00 C ATOM 887 C PRO A 63 0.472 1.033 -19.879 1.00 0.00 C ATOM 888 O PRO A 63 1.213 0.500 -20.705 1.00 0.00 O ATOM 889 CB PRO A 63 2.210 1.677 -18.188 1.00 0.00 C ATOM 890 CG PRO A 63 1.667 1.209 -16.882 1.00 0.00 C ATOM 891 CD PRO A 63 0.483 2.087 -16.587 1.00 0.00 C ATOM 0 HA PRO A 63 1.184 2.987 -19.641 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.731 0.875 -18.710 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.927 2.486 -18.051 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.372 0.161 -16.935 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.418 1.289 -16.096 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.292 1.547 -16.043 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.762 2.945 -15.976 1.00 0.00 H new ATOM 899 N VAL A 64 -0.801 0.684 -19.719 1.00 0.00 N ATOM 900 CA VAL A 64 -1.413 -0.367 -20.524 1.00 0.00 C ATOM 901 C VAL A 64 -2.604 0.167 -21.311 1.00 0.00 C ATOM 902 O VAL A 64 -2.652 0.057 -22.537 1.00 0.00 O ATOM 903 CB VAL A 64 -1.877 -1.546 -19.648 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.568 -2.602 -20.497 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.700 -2.143 -18.892 1.00 0.00 C ATOM 0 H VAL A 64 -1.428 1.114 -19.039 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.650 -0.718 -21.219 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.596 -1.174 -18.918 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.889 -3.427 -19.861 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.437 -2.163 -20.988 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.874 -2.974 -21.251 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.046 -2.975 -18.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.045 -2.502 -19.603 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.254 -1.381 -18.253 1.00 0.00 H new ATOM 915 N CYS A 65 -3.565 0.747 -20.599 1.00 0.00 N ATOM 916 CA CYS A 65 -4.757 1.299 -21.231 1.00 0.00 C ATOM 917 C CYS A 65 -4.710 2.824 -21.242 1.00 0.00 C ATOM 918 O CYS A 65 -5.510 3.475 -21.915 1.00 0.00 O ATOM 919 CB CYS A 65 -6.014 0.823 -20.499 1.00 0.00 C ATOM 920 SG CYS A 65 -6.094 1.329 -18.751 1.00 0.00 S ATOM 0 H CYS A 65 -3.541 0.847 -19.584 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.788 0.946 -22.262 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.892 1.209 -21.018 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.063 -0.264 -20.554 1.00 0.00 H new ATOM 925 N ARG A 66 -3.767 3.387 -20.494 1.00 0.00 N ATOM 926 CA ARG A 66 -3.615 4.835 -20.417 1.00 0.00 C ATOM 927 C ARG A 66 -4.910 5.493 -19.950 1.00 0.00 C ATOM 928 O ARG A 66 -5.328 6.518 -20.489 1.00 0.00 O ATOM 929 CB ARG A 66 -3.207 5.399 -21.779 1.00 0.00 C ATOM 930 CG ARG A 66 -1.734 5.208 -22.101 1.00 0.00 C ATOM 931 CD ARG A 66 -1.432 3.770 -22.494 1.00 0.00 C ATOM 932 NE ARG A 66 -0.013 3.452 -22.358 1.00 0.00 N ATOM 933 CZ ARG A 66 0.891 3.708 -23.296 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.527 4.284 -24.433 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.164 3.388 -23.098 1.00 0.00 N ATOM 0 H ARG A 66 -3.096 2.862 -19.932 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.833 5.055 -19.691 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.805 4.920 -22.555 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.441 6.463 -21.807 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.448 5.876 -22.913 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.132 5.484 -21.235 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.016 3.093 -21.871 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.744 3.603 -23.525 1.00 0.00 H new ATOM 0 HE ARG A 66 0.301 3.009 -21.495 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.450 4.532 -24.589 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.224 4.479 -25.152 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.449 2.945 -22.224 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.858 3.585 -23.819 1.00 0.00 H new ATOM 949 N VAL A 67 -5.542 4.897 -18.944 1.00 0.00 N ATOM 950 CA VAL A 67 -6.789 5.425 -18.403 1.00 0.00 C ATOM 951 C VAL A 67 -6.550 6.158 -17.088 1.00 0.00 C ATOM 952 O VAL A 67 -5.775 5.722 -16.237 1.00 0.00 O ATOM 953 CB VAL A 67 -7.820 4.304 -18.173 1.00 0.00 C ATOM 954 CG1 VAL A 67 -9.084 4.863 -17.538 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.139 3.598 -19.482 1.00 0.00 C ATOM 0 H VAL A 67 -5.211 4.048 -18.487 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.183 6.125 -19.140 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.390 3.574 -17.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.801 4.056 -17.383 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.838 5.319 -16.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.520 5.614 -18.196 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.869 2.809 -19.301 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.549 4.316 -20.192 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.228 3.162 -19.892 1.00 0.00 H new ATOM 965 N PRO A 68 -7.233 7.300 -16.915 1.00 0.00 N ATOM 966 CA PRO A 68 -7.113 8.119 -15.705 1.00 0.00 C ATOM 967 C PRO A 68 -7.737 7.447 -14.486 1.00 0.00 C ATOM 968 O PRO A 68 -8.960 7.377 -14.362 1.00 0.00 O ATOM 969 CB PRO A 68 -7.879 9.395 -16.063 1.00 0.00 C ATOM 970 CG PRO A 68 -8.853 8.971 -17.108 1.00 0.00 C ATOM 971 CD PRO A 68 -8.175 7.879 -17.888 1.00 0.00 C ATOM 0 HA PRO A 68 -6.072 8.293 -15.432 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.388 9.809 -15.192 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.208 10.168 -16.438 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.778 8.612 -16.657 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.118 9.806 -17.756 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.889 7.138 -18.246 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.658 8.272 -18.763 1.00 0.00 H new ATOM 979 N TYR A 69 -6.889 6.954 -13.590 1.00 0.00 N ATOM 980 CA TYR A 69 -7.358 6.285 -12.382 1.00 0.00 C ATOM 981 C TYR A 69 -6.820 6.977 -11.133 1.00 0.00 C ATOM 982 O TYR A 69 -5.748 7.583 -11.141 1.00 0.00 O ATOM 983 CB TYR A 69 -6.931 4.816 -12.388 1.00 0.00 C ATOM 984 CG TYR A 69 -5.437 4.619 -12.260 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.609 4.693 -13.373 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.854 4.360 -11.026 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.244 4.512 -13.261 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.490 4.180 -10.904 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.689 4.256 -12.024 1.00 0.00 C ATOM 990 OH TYR A 69 -1.330 4.078 -11.908 1.00 0.00 O ATOM 0 H TYR A 69 -5.874 7.005 -13.677 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.447 6.340 -12.366 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.429 4.298 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.272 4.351 -13.313 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.040 4.895 -14.342 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.478 4.298 -10.147 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.615 4.571 -14.137 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.053 3.981 -9.937 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.986 4.648 -11.189 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.581 6.885 -10.033 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.202 7.495 -8.755 1.00 0.00 C ATOM 1002 C PRO A 70 -6.012 6.794 -8.109 1.00 0.00 C ATOM 1003 O PRO A 70 -5.691 5.654 -8.447 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.456 7.322 -7.894 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.156 6.142 -8.476 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.870 6.178 -9.952 1.00 0.00 C ATOM 0 HA PRO A 70 -6.890 8.533 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.198 7.153 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.085 8.212 -7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.795 5.215 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.228 6.191 -8.285 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.805 5.175 -10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.652 6.704 -10.500 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.360 7.482 -7.177 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.204 6.925 -6.484 1.00 0.00 C ATOM 1016 C PHE A 71 -4.612 6.327 -5.141 1.00 0.00 C ATOM 1017 O PHE A 71 -4.336 5.162 -4.858 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.141 8.005 -6.273 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.834 7.468 -5.762 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.142 6.502 -6.474 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.299 7.929 -4.571 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.061 6.006 -6.007 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -0.096 7.437 -4.099 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.584 6.473 -4.818 1.00 0.00 C ATOM 0 H PHE A 71 -5.613 8.426 -6.884 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.787 6.131 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.968 8.523 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.521 8.745 -5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.547 6.132 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.827 8.681 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.591 5.254 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.312 7.806 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.523 6.086 -4.451 1.00 0.00 H new ATOM 1034 N GLY A 72 -5.271 7.135 -4.315 1.00 0.00 N ATOM 1035 CA GLY A 72 -5.705 6.669 -3.011 1.00 0.00 C ATOM 1036 C GLY A 72 -6.941 5.795 -3.090 1.00 0.00 C ATOM 1037 O GLY A 72 -7.883 5.970 -2.318 1.00 0.00 O ATOM 0 H GLY A 72 -5.512 8.103 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.897 6.108 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.911 7.527 -2.372 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.939 4.853 -4.028 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.070 3.950 -4.206 1.00 0.00 C ATOM 1043 C ASN A 73 -7.595 2.509 -4.370 1.00 0.00 C ATOM 1044 O ASN A 73 -8.151 1.589 -3.769 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.896 4.368 -5.424 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.535 5.732 -5.249 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -8.906 6.666 -4.752 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.793 5.853 -5.659 1.00 0.00 N ATOM 0 H ASN A 73 -6.167 4.695 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.694 4.009 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.256 4.380 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.674 3.626 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.275 6.747 -5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.276 5.052 -6.065 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.564 2.321 -5.185 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.012 0.992 -5.428 1.00 0.00 C ATOM 1057 C LEU A 74 -6.142 0.115 -4.187 1.00 0.00 C ATOM 1058 O LEU A 74 -6.088 0.604 -3.058 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.544 1.096 -5.842 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.246 2.002 -7.037 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.746 2.182 -7.210 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.867 1.434 -8.305 1.00 0.00 C ATOM 0 H LEU A 74 -6.093 3.072 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.579 0.532 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.971 1.455 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.180 0.094 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.688 2.980 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.554 2.830 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.328 2.634 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.280 1.211 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.645 2.092 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.455 0.444 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.947 1.359 -8.179 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.311 -1.185 -4.403 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.444 -2.134 -3.304 1.00 0.00 C ATOM 1076 C LYS A 75 -5.392 -3.234 -3.404 1.00 0.00 C ATOM 1077 O LYS A 75 -4.980 -3.635 -4.493 1.00 0.00 O ATOM 1078 CB LYS A 75 -7.844 -2.751 -3.302 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.960 -1.725 -3.203 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.247 -2.239 -3.826 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.886 -3.324 -2.972 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.217 -4.642 -3.158 1.00 0.00 N ATOM 0 H LYS A 75 -6.359 -1.606 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.291 -1.593 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.977 -3.333 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.925 -3.445 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.135 -1.477 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.655 -0.805 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.947 -1.413 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.039 -2.633 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.836 -3.036 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.942 -3.413 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.935 -5.393 -3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.676 -4.634 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.572 -4.820 -2.361 1.00 0.00 H new ATOM 1096 N PRO A 76 -4.948 -3.737 -2.242 1.00 0.00 N ATOM 1097 CA PRO A 76 -3.940 -4.799 -2.174 1.00 0.00 C ATOM 1098 C PRO A 76 -4.478 -6.140 -2.660 1.00 0.00 C ATOM 1099 O PRO A 76 -5.365 -6.726 -2.041 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.600 -4.869 -0.683 1.00 0.00 C ATOM 1101 CG PRO A 76 -4.813 -4.348 0.008 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.395 -3.306 -0.907 1.00 0.00 C ATOM 0 HA PRO A 76 -3.082 -4.588 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.378 -5.891 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.722 -4.267 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.530 -5.148 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.556 -3.918 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.482 -3.273 -0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.030 -2.308 -0.664 1.00 0.00 H new ATOM 1110 N ASN A 77 -3.934 -6.622 -3.774 1.00 0.00 N ATOM 1111 CA ASN A 77 -4.360 -7.895 -4.344 1.00 0.00 C ATOM 1112 C ASN A 77 -3.675 -9.062 -3.641 1.00 0.00 C ATOM 1113 O ASN A 77 -2.483 -9.306 -3.836 1.00 0.00 O ATOM 1114 CB ASN A 77 -4.052 -7.935 -5.842 1.00 0.00 C ATOM 1115 CG ASN A 77 -4.319 -9.298 -6.451 1.00 0.00 C ATOM 1116 OD1 ASN A 77 -3.573 -10.250 -6.220 1.00 0.00 O ATOM 1117 ND2 ASN A 77 -5.387 -9.397 -7.233 1.00 0.00 N ATOM 0 H ASN A 77 -3.198 -6.150 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.436 -7.988 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.656 -7.186 -6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.008 -7.666 -6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.618 -10.289 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.977 -8.581 -7.396 1.00 0.00 H new ATOM 1124 N LEU A 78 -4.435 -9.781 -2.822 1.00 0.00 N ATOM 1125 CA LEU A 78 -3.901 -10.924 -2.089 1.00 0.00 C ATOM 1126 C LEU A 78 -4.528 -12.225 -2.579 1.00 0.00 C ATOM 1127 O LEU A 78 -5.489 -12.724 -1.991 1.00 0.00 O ATOM 1128 CB LEU A 78 -4.153 -10.756 -0.589 1.00 0.00 C ATOM 1129 CG LEU A 78 -3.179 -9.843 0.157 1.00 0.00 C ATOM 1130 CD1 LEU A 78 -1.755 -10.358 0.022 1.00 0.00 C ATOM 1131 CD2 LEU A 78 -3.284 -8.416 -0.361 1.00 0.00 C ATOM 0 H LEU A 78 -5.422 -9.593 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.827 -10.970 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.162 -10.367 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.125 -11.741 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.445 -9.845 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.076 -9.696 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.690 -11.362 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.477 -10.386 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.584 -7.780 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.044 -8.396 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.299 -8.048 -0.211 1.00 0.00 H new ATOM 1143 N HIS A 79 -3.977 -12.772 -3.658 1.00 0.00 N ATOM 1144 CA HIS A 79 -4.480 -14.018 -4.225 1.00 0.00 C ATOM 1145 C HIS A 79 -5.977 -13.922 -4.505 1.00 0.00 C ATOM 1146 O HIS A 79 -6.722 -14.878 -4.287 1.00 0.00 O ATOM 1147 CB HIS A 79 -4.201 -15.185 -3.278 1.00 0.00 C ATOM 1148 CG HIS A 79 -4.037 -16.499 -3.977 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -3.460 -16.621 -5.224 1.00 0.00 N ATOM 1150 CD2 HIS A 79 -4.378 -17.753 -3.597 1.00 0.00 C ATOM 1151 CE1 HIS A 79 -3.455 -17.893 -5.581 1.00 0.00 C ATOM 1152 NE2 HIS A 79 -4.005 -18.601 -4.611 1.00 0.00 N ATOM 0 H HIS A 79 -3.182 -12.372 -4.157 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.962 -14.194 -5.168 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.297 -14.971 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.019 -15.264 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.854 -18.034 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.067 -18.287 -6.509 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.132 -19.613 -4.614 1.00 0.00 H new ATOM 1160 N VAL A 80 -6.411 -12.762 -4.987 1.00 0.00 N ATOM 1161 CA VAL A 80 -7.819 -12.541 -5.296 1.00 0.00 C ATOM 1162 C VAL A 80 -8.243 -13.337 -6.526 1.00 0.00 C ATOM 1163 O VAL A 80 -8.057 -12.895 -7.659 1.00 0.00 O ATOM 1164 CB VAL A 80 -8.112 -11.049 -5.539 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -9.573 -10.845 -5.912 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -7.749 -10.228 -4.311 1.00 0.00 C ATOM 0 H VAL A 80 -5.808 -11.961 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.390 -12.880 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.497 -10.708 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.761 -9.785 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.797 -11.402 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.209 -11.202 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.963 -9.176 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.336 -10.570 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.688 -10.349 -4.093 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.814 -14.515 -6.293 1.00 0.00 N ATOM 1177 CA ALA A 81 -9.267 -15.372 -7.381 1.00 0.00 C ATOM 1178 C ALA A 81 -10.719 -15.080 -7.741 1.00 0.00 C ATOM 1179 O ALA A 81 -11.482 -14.571 -6.921 1.00 0.00 O ATOM 1180 CB ALA A 81 -9.099 -16.837 -7.004 1.00 0.00 C ATOM 0 H ALA A 81 -8.973 -14.897 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.653 -15.161 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.441 -17.466 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.048 -17.043 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.688 -17.053 -6.112 1.00 0.00 H new ATOM 1186 N ASN A 82 -11.095 -15.406 -8.974 1.00 0.00 N ATOM 1187 CA ASN A 82 -12.457 -15.177 -9.443 1.00 0.00 C ATOM 1188 C ASN A 82 -13.406 -16.241 -8.900 1.00 0.00 C ATOM 1189 O ASN A 82 -13.006 -17.099 -8.113 1.00 0.00 O ATOM 1190 CB ASN A 82 -12.498 -15.174 -10.973 1.00 0.00 C ATOM 1191 CG ASN A 82 -11.419 -14.297 -11.578 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -10.238 -14.643 -11.557 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -11.822 -13.155 -12.123 1.00 0.00 N ATOM 0 H ASN A 82 -10.476 -15.829 -9.666 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.782 -14.204 -9.075 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.381 -16.194 -11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.475 -14.826 -11.307 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.142 -12.524 -12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.812 -12.909 -12.118 1.00 0.00 H new ATOM 1200 N ILE A 83 -14.663 -16.178 -9.326 1.00 0.00 N ATOM 1201 CA ILE A 83 -15.667 -17.137 -8.884 1.00 0.00 C ATOM 1202 C ILE A 83 -15.583 -18.431 -9.686 1.00 0.00 C ATOM 1203 O ILE A 83 -16.596 -19.082 -9.943 1.00 0.00 O ATOM 1204 CB ILE A 83 -17.090 -16.560 -9.010 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -17.366 -16.137 -10.454 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -17.269 -15.383 -8.063 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -18.047 -17.207 -11.278 1.00 0.00 C ATOM 0 H ILE A 83 -15.010 -15.473 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.460 -17.349 -7.835 1.00 0.00 H new ATOM 0 HB ILE A 83 -17.807 -17.334 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -17.989 -15.242 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -16.424 -15.867 -10.931 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -18.279 -14.986 -8.163 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -17.109 -15.714 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -16.547 -14.605 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.211 -16.837 -12.290 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.416 -18.095 -11.314 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -19.005 -17.461 -10.824 1.00 0.00 H new ATOM 1219 N VAL A 84 -14.368 -18.800 -10.079 1.00 0.00 N ATOM 1220 CA VAL A 84 -14.150 -20.018 -10.850 1.00 0.00 C ATOM 1221 C VAL A 84 -14.033 -21.233 -9.936 1.00 0.00 C ATOM 1222 O VAL A 84 -14.268 -22.364 -10.359 1.00 0.00 O ATOM 1223 CB VAL A 84 -12.879 -19.915 -11.715 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -12.999 -18.767 -12.706 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -11.649 -19.746 -10.835 1.00 0.00 C ATOM 0 H VAL A 84 -13.519 -18.272 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 84 -15.015 -20.139 -11.502 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.768 -20.840 -12.280 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.092 -18.710 -13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.857 -18.936 -13.357 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.134 -17.831 -12.164 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.760 -19.675 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.748 -18.837 -10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.556 -20.605 -10.170 1.00 0.00 H new ATOM 1235 N GLU A 85 -13.669 -20.990 -8.681 1.00 0.00 N ATOM 1236 CA GLU A 85 -13.521 -22.065 -7.708 1.00 0.00 C ATOM 1237 C GLU A 85 -14.789 -22.911 -7.634 1.00 0.00 C ATOM 1238 O GLU A 85 -14.710 -24.085 -7.278 1.00 0.00 O ATOM 1239 CB GLU A 85 -13.196 -21.492 -6.327 1.00 0.00 C ATOM 1240 CG GLU A 85 -12.436 -22.455 -5.431 1.00 0.00 C ATOM 1241 CD GLU A 85 -13.303 -23.594 -4.930 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -14.533 -23.404 -4.831 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -12.750 -24.675 -4.639 1.00 0.00 O ATOM 0 H GLU A 85 -13.471 -20.059 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.698 -22.702 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.608 -20.582 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.125 -21.207 -5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.588 -22.864 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.031 -21.910 -4.579 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 6.070 -5.128 -11.842 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -5.030 -0.191 -17.283 1.00 0.00 ZN