USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 631 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -7.46! C(o=-7.5!,f=-7.6!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -141:sc= 0.0604 (180deg=-0.364) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0098) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -71:sc= 1.12 USER MOD Single : A 5 SER OG : rot 26:sc= 0.0415 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 13:sc= 0.92 USER MOD Single : A 12 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.29) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.114 (180deg=-0.587) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 23 HIS : no HD1:sc= -0.216 K(o=-0.22,f=-0.92) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 23:sc= 0.291 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 0.469 (180deg=-0.00601) USER MOD Single : A 49 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.4) USER MOD Single : A 54 HIS : no HD1:sc= -0.363 X(o=-0.36,f=0.0027) USER MOD Single : A 56 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -8.77! C(o=-8.8!,f=-11!) USER MOD Single : A 64 LYS NZ :NH3+ -121:sc=-0.00575 (180deg=-0.553) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 179:sc=-0.000938 (180deg=-0.00116) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -128:sc= -0.0639 (180deg=-1.21) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 27:sc= 0.495 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.098 -36.248 -61.087 1.00 0.00 N ATOM 2 CA GLY A 1 -36.748 -36.377 -59.796 1.00 0.00 C ATOM 3 C GLY A 1 -38.033 -35.577 -59.711 1.00 0.00 C ATOM 4 O GLY A 1 -39.046 -36.068 -59.214 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.262 -36.866 -61.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.761 -36.525 -61.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.804 -35.261 -61.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.965 -37.428 -59.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.065 -36.045 -59.014 1.00 0.00 H new ATOM 8 N SER A 2 -37.991 -34.340 -60.196 1.00 0.00 N ATOM 9 CA SER A 2 -39.160 -33.468 -60.168 1.00 0.00 C ATOM 10 C SER A 2 -39.887 -33.577 -58.830 1.00 0.00 C ATOM 11 O SER A 2 -41.116 -33.624 -58.781 1.00 0.00 O ATOM 12 CB SER A 2 -40.114 -33.822 -61.310 1.00 0.00 C ATOM 13 OG SER A 2 -39.490 -33.645 -62.569 1.00 0.00 O ATOM 0 H SER A 2 -37.161 -33.919 -60.613 1.00 0.00 H new ATOM 0 HA SER A 2 -38.819 -32.440 -60.294 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.443 -34.856 -61.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -41.005 -33.197 -61.251 1.00 0.00 H new ATOM 0 HG SER A 2 -40.120 -33.879 -63.282 1.00 0.00 H new ATOM 19 N SER A 3 -39.117 -33.618 -57.747 1.00 0.00 N ATOM 20 CA SER A 3 -39.686 -33.725 -56.409 1.00 0.00 C ATOM 21 C SER A 3 -38.630 -33.439 -55.345 1.00 0.00 C ATOM 22 O SER A 3 -37.444 -33.319 -55.649 1.00 0.00 O ATOM 23 CB SER A 3 -40.278 -35.120 -56.194 1.00 0.00 C ATOM 24 OG SER A 3 -39.313 -36.127 -56.442 1.00 0.00 O ATOM 0 H SER A 3 -38.098 -33.579 -57.770 1.00 0.00 H new ATOM 0 HA SER A 3 -40.479 -32.983 -56.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.646 -35.209 -55.172 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.134 -35.261 -56.854 1.00 0.00 H new ATOM 0 HG SER A 3 -39.134 -36.178 -57.404 1.00 0.00 H new ATOM 30 N GLY A 4 -39.072 -33.330 -54.096 1.00 0.00 N ATOM 31 CA GLY A 4 -38.154 -33.059 -53.006 1.00 0.00 C ATOM 32 C GLY A 4 -38.515 -31.799 -52.244 1.00 0.00 C ATOM 33 O GLY A 4 -39.185 -30.914 -52.776 1.00 0.00 O ATOM 0 H GLY A 4 -40.049 -33.425 -53.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.149 -33.906 -52.320 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.143 -32.964 -53.402 1.00 0.00 H new ATOM 37 N SER A 5 -38.071 -31.718 -50.993 1.00 0.00 N ATOM 38 CA SER A 5 -38.356 -30.559 -50.155 1.00 0.00 C ATOM 39 C SER A 5 -37.534 -30.602 -48.871 1.00 0.00 C ATOM 40 O SER A 5 -37.502 -31.617 -48.174 1.00 0.00 O ATOM 41 CB SER A 5 -39.847 -30.502 -49.817 1.00 0.00 C ATOM 42 OG SER A 5 -40.296 -31.734 -49.279 1.00 0.00 O ATOM 0 H SER A 5 -37.513 -32.441 -50.538 1.00 0.00 H new ATOM 0 HA SER A 5 -38.082 -29.663 -50.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.030 -29.701 -49.101 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.418 -30.264 -50.715 1.00 0.00 H new ATOM 0 HG SER A 5 -39.542 -32.204 -48.865 1.00 0.00 H new ATOM 48 N SER A 6 -36.869 -29.493 -48.564 1.00 0.00 N ATOM 49 CA SER A 6 -36.042 -29.404 -47.366 1.00 0.00 C ATOM 50 C SER A 6 -35.641 -27.959 -47.088 1.00 0.00 C ATOM 51 O SER A 6 -35.511 -27.151 -48.008 1.00 0.00 O ATOM 52 CB SER A 6 -34.791 -30.272 -47.518 1.00 0.00 C ATOM 53 OG SER A 6 -33.965 -30.182 -46.370 1.00 0.00 O ATOM 0 H SER A 6 -36.887 -28.643 -49.128 1.00 0.00 H new ATOM 0 HA SER A 6 -36.628 -29.769 -46.523 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.082 -31.310 -47.680 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.231 -29.957 -48.398 1.00 0.00 H new ATOM 0 HG SER A 6 -33.173 -30.747 -46.491 1.00 0.00 H new ATOM 59 N GLY A 7 -35.447 -27.639 -45.812 1.00 0.00 N ATOM 60 CA GLY A 7 -35.064 -26.292 -45.435 1.00 0.00 C ATOM 61 C GLY A 7 -35.142 -26.064 -43.938 1.00 0.00 C ATOM 62 O GLY A 7 -36.231 -25.914 -43.383 1.00 0.00 O ATOM 0 H GLY A 7 -35.548 -28.289 -45.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.047 -26.098 -45.776 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -35.713 -25.578 -45.942 1.00 0.00 H new ATOM 66 N CYS A 8 -33.987 -26.039 -43.284 1.00 0.00 N ATOM 67 CA CYS A 8 -33.929 -25.830 -41.841 1.00 0.00 C ATOM 68 C CYS A 8 -33.187 -24.540 -41.508 1.00 0.00 C ATOM 69 O CYS A 8 -32.361 -24.068 -42.288 1.00 0.00 O ATOM 70 CB CYS A 8 -33.246 -27.017 -41.160 1.00 0.00 C ATOM 71 SG CYS A 8 -34.361 -28.385 -40.768 1.00 0.00 S ATOM 0 H CYS A 8 -33.077 -26.161 -43.729 1.00 0.00 H new ATOM 0 HA CYS A 8 -34.950 -25.746 -41.469 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -32.450 -27.385 -41.808 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -32.774 -26.672 -40.240 1.00 0.00 H new ATOM 0 HG CYS A 8 -33.691 -29.341 -40.197 1.00 0.00 H new ATOM 77 N SER A 9 -33.488 -23.974 -40.343 1.00 0.00 N ATOM 78 CA SER A 9 -32.854 -22.736 -39.909 1.00 0.00 C ATOM 79 C SER A 9 -33.156 -22.457 -38.439 1.00 0.00 C ATOM 80 O SER A 9 -34.290 -22.145 -38.077 1.00 0.00 O ATOM 81 CB SER A 9 -33.330 -21.564 -40.770 1.00 0.00 C ATOM 82 OG SER A 9 -34.686 -21.252 -40.502 1.00 0.00 O ATOM 0 H SER A 9 -34.167 -24.354 -39.683 1.00 0.00 H new ATOM 0 HA SER A 9 -31.776 -22.849 -40.026 1.00 0.00 H new ATOM 0 HB2 SER A 9 -32.708 -20.690 -40.577 1.00 0.00 H new ATOM 0 HB3 SER A 9 -33.212 -21.812 -41.825 1.00 0.00 H new ATOM 0 HG SER A 9 -34.971 -21.710 -39.684 1.00 0.00 H new ATOM 88 N GLU A 10 -32.133 -22.573 -37.599 1.00 0.00 N ATOM 89 CA GLU A 10 -32.289 -22.334 -36.169 1.00 0.00 C ATOM 90 C GLU A 10 -31.705 -20.980 -35.776 1.00 0.00 C ATOM 91 O GLU A 10 -31.229 -20.226 -36.625 1.00 0.00 O ATOM 92 CB GLU A 10 -31.611 -23.446 -35.366 1.00 0.00 C ATOM 93 CG GLU A 10 -30.106 -23.278 -35.244 1.00 0.00 C ATOM 94 CD GLU A 10 -29.504 -24.166 -34.172 1.00 0.00 C ATOM 95 OE1 GLU A 10 -29.622 -23.817 -32.979 1.00 0.00 O ATOM 96 OE2 GLU A 10 -28.916 -25.209 -34.527 1.00 0.00 O ATOM 0 H GLU A 10 -31.188 -22.831 -37.883 1.00 0.00 H new ATOM 0 HA GLU A 10 -33.355 -22.330 -35.942 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -32.047 -23.479 -34.367 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -31.824 -24.405 -35.838 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -29.640 -23.506 -36.203 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -29.878 -22.236 -35.018 1.00 0.00 H new ATOM 103 N VAL A 11 -31.745 -20.678 -34.482 1.00 0.00 N ATOM 104 CA VAL A 11 -31.220 -19.416 -33.975 1.00 0.00 C ATOM 105 C VAL A 11 -31.283 -19.366 -32.453 1.00 0.00 C ATOM 106 O VAL A 11 -32.147 -19.988 -31.837 1.00 0.00 O ATOM 107 CB VAL A 11 -31.994 -18.214 -34.550 1.00 0.00 C ATOM 108 CG1 VAL A 11 -33.475 -18.325 -34.217 1.00 0.00 C ATOM 109 CG2 VAL A 11 -31.418 -16.909 -34.024 1.00 0.00 C ATOM 0 H VAL A 11 -32.136 -21.290 -33.766 1.00 0.00 H new ATOM 0 HA VAL A 11 -30.180 -19.355 -34.295 1.00 0.00 H new ATOM 0 HB VAL A 11 -31.888 -18.220 -35.635 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -34.006 -17.468 -34.631 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -33.877 -19.243 -34.647 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -33.604 -18.344 -33.135 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -31.977 -16.071 -34.440 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -31.493 -16.890 -32.937 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -30.371 -16.829 -34.317 1.00 0.00 H new ATOM 119 N ASN A 12 -30.361 -18.620 -31.852 1.00 0.00 N ATOM 120 CA ASN A 12 -30.311 -18.489 -30.400 1.00 0.00 C ATOM 121 C ASN A 12 -31.420 -17.569 -29.899 1.00 0.00 C ATOM 122 O ASN A 12 -31.602 -16.463 -30.409 1.00 0.00 O ATOM 123 CB ASN A 12 -28.948 -17.949 -29.963 1.00 0.00 C ATOM 124 CG ASN A 12 -28.839 -16.446 -30.135 1.00 0.00 C ATOM 125 OD1 ASN A 12 -28.936 -15.691 -29.167 1.00 0.00 O ATOM 126 ND2 ASN A 12 -28.637 -16.006 -31.371 1.00 0.00 N ATOM 0 H ASN A 12 -29.639 -18.097 -32.348 1.00 0.00 H new ATOM 0 HA ASN A 12 -30.459 -19.477 -29.965 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -28.777 -18.206 -28.918 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -28.164 -18.436 -30.543 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -28.556 -15.005 -31.549 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -28.563 -16.669 -32.143 1.00 0.00 H new ATOM 133 N VAL A 13 -32.159 -18.032 -28.896 1.00 0.00 N ATOM 134 CA VAL A 13 -33.249 -17.251 -28.324 1.00 0.00 C ATOM 135 C VAL A 13 -32.812 -15.815 -28.054 1.00 0.00 C ATOM 136 O VAL A 13 -31.761 -15.576 -27.461 1.00 0.00 O ATOM 137 CB VAL A 13 -33.759 -17.876 -27.012 1.00 0.00 C ATOM 138 CG1 VAL A 13 -32.673 -17.846 -25.948 1.00 0.00 C ATOM 139 CG2 VAL A 13 -35.010 -17.156 -26.531 1.00 0.00 C ATOM 0 H VAL A 13 -32.022 -18.945 -28.462 1.00 0.00 H new ATOM 0 HA VAL A 13 -34.057 -17.251 -29.056 1.00 0.00 H new ATOM 0 HB VAL A 13 -34.018 -18.918 -27.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -33.052 -18.292 -25.028 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -31.808 -18.411 -26.295 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -32.380 -16.814 -25.757 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -35.357 -17.610 -25.603 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -34.780 -16.105 -26.357 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -35.790 -17.236 -27.288 1.00 0.00 H new ATOM 149 N VAL A 14 -33.629 -14.862 -28.492 1.00 0.00 N ATOM 150 CA VAL A 14 -33.329 -13.449 -28.297 1.00 0.00 C ATOM 151 C VAL A 14 -33.094 -13.136 -26.823 1.00 0.00 C ATOM 152 O VAL A 14 -33.994 -13.280 -25.995 1.00 0.00 O ATOM 153 CB VAL A 14 -34.466 -12.555 -28.826 1.00 0.00 C ATOM 154 CG1 VAL A 14 -34.629 -12.731 -30.328 1.00 0.00 C ATOM 155 CG2 VAL A 14 -35.767 -12.864 -28.100 1.00 0.00 C ATOM 0 H VAL A 14 -34.504 -15.043 -28.984 1.00 0.00 H new ATOM 0 HA VAL A 14 -32.420 -13.238 -28.860 1.00 0.00 H new ATOM 0 HB VAL A 14 -34.207 -11.514 -28.633 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -35.437 -12.092 -30.684 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -33.701 -12.456 -30.829 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -34.866 -13.772 -30.549 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -36.560 -12.223 -28.486 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -36.034 -13.909 -28.260 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -35.640 -12.682 -27.033 1.00 0.00 H new ATOM 165 N LYS A 15 -31.879 -12.706 -26.501 1.00 0.00 N ATOM 166 CA LYS A 15 -31.525 -12.370 -25.128 1.00 0.00 C ATOM 167 C LYS A 15 -30.576 -11.176 -25.087 1.00 0.00 C ATOM 168 O LYS A 15 -30.024 -10.776 -26.112 1.00 0.00 O ATOM 169 CB LYS A 15 -30.878 -13.573 -24.437 1.00 0.00 C ATOM 170 CG LYS A 15 -29.517 -13.939 -25.002 1.00 0.00 C ATOM 171 CD LYS A 15 -29.120 -15.357 -24.626 1.00 0.00 C ATOM 172 CE LYS A 15 -28.444 -15.404 -23.265 1.00 0.00 C ATOM 173 NZ LYS A 15 -27.152 -14.664 -23.261 1.00 0.00 N ATOM 0 H LYS A 15 -31.122 -12.582 -27.174 1.00 0.00 H new ATOM 0 HA LYS A 15 -32.440 -12.103 -24.599 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -30.775 -13.358 -23.373 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -31.542 -14.433 -24.526 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -29.534 -13.841 -26.087 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -28.768 -13.240 -24.631 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -30.005 -15.993 -24.616 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -28.446 -15.760 -25.382 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -29.109 -14.977 -22.514 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -28.269 -16.442 -22.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -26.536 -15.045 -22.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.686 -14.774 -24.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -27.330 -13.655 -23.081 1.00 0.00 H new ATOM 187 N GLU A 16 -30.390 -10.614 -23.897 1.00 0.00 N ATOM 188 CA GLU A 16 -29.506 -9.466 -23.725 1.00 0.00 C ATOM 189 C GLU A 16 -29.301 -9.155 -22.245 1.00 0.00 C ATOM 190 O GLU A 16 -30.236 -9.236 -21.447 1.00 0.00 O ATOM 191 CB GLU A 16 -30.079 -8.241 -24.440 1.00 0.00 C ATOM 192 CG GLU A 16 -31.440 -7.812 -23.918 1.00 0.00 C ATOM 193 CD GLU A 16 -32.187 -6.925 -24.895 1.00 0.00 C ATOM 194 OE1 GLU A 16 -31.899 -5.710 -24.931 1.00 0.00 O ATOM 195 OE2 GLU A 16 -33.059 -7.445 -25.622 1.00 0.00 O ATOM 0 H GLU A 16 -30.839 -10.934 -23.039 1.00 0.00 H new ATOM 0 HA GLU A 16 -28.540 -9.715 -24.164 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -29.381 -7.410 -24.335 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -30.160 -8.457 -25.505 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -32.039 -8.698 -23.706 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -31.312 -7.280 -22.975 1.00 0.00 H new ATOM 202 N ARG A 17 -28.072 -8.799 -21.886 1.00 0.00 N ATOM 203 CA ARG A 17 -27.743 -8.478 -20.503 1.00 0.00 C ATOM 204 C ARG A 17 -27.154 -7.074 -20.396 1.00 0.00 C ATOM 205 O ARG A 17 -26.059 -6.795 -20.884 1.00 0.00 O ATOM 206 CB ARG A 17 -26.755 -9.501 -19.940 1.00 0.00 C ATOM 207 CG ARG A 17 -27.346 -10.890 -19.772 1.00 0.00 C ATOM 208 CD ARG A 17 -28.417 -10.913 -18.691 1.00 0.00 C ATOM 209 NE ARG A 17 -28.740 -12.273 -18.270 1.00 0.00 N ATOM 210 CZ ARG A 17 -29.852 -12.596 -17.619 1.00 0.00 C ATOM 211 NH1 ARG A 17 -30.742 -11.661 -17.316 1.00 0.00 N ATOM 212 NH2 ARG A 17 -30.076 -13.856 -17.269 1.00 0.00 N ATOM 0 H ARG A 17 -27.288 -8.726 -22.534 1.00 0.00 H new ATOM 0 HA ARG A 17 -28.663 -8.513 -19.920 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -25.891 -9.561 -20.601 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -26.393 -9.150 -18.974 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -27.775 -11.221 -20.718 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -26.555 -11.595 -19.517 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -28.075 -10.338 -17.830 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -29.318 -10.425 -19.063 1.00 0.00 H new ATOM 0 HE ARG A 17 -28.076 -13.016 -18.488 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -30.574 -10.691 -17.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -31.595 -11.912 -16.816 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -29.394 -14.578 -17.500 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -30.930 -14.102 -16.769 1.00 0.00 H new ATOM 226 N PRO A 18 -27.898 -6.168 -19.744 1.00 0.00 N ATOM 227 CA PRO A 18 -27.470 -4.778 -19.558 1.00 0.00 C ATOM 228 C PRO A 18 -26.298 -4.657 -18.590 1.00 0.00 C ATOM 229 O PRO A 18 -26.486 -4.604 -17.375 1.00 0.00 O ATOM 230 CB PRO A 18 -28.714 -4.099 -18.979 1.00 0.00 C ATOM 231 CG PRO A 18 -29.472 -5.197 -18.318 1.00 0.00 C ATOM 232 CD PRO A 18 -29.214 -6.431 -19.137 1.00 0.00 C ATOM 0 HA PRO A 18 -27.118 -4.332 -20.488 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -28.444 -3.320 -18.266 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -29.306 -3.624 -19.761 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -29.140 -5.335 -17.289 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -30.537 -4.969 -18.282 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -29.199 -7.328 -18.518 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -29.984 -6.579 -19.894 1.00 0.00 H new ATOM 240 N LYS A 19 -25.088 -4.613 -19.137 1.00 0.00 N ATOM 241 CA LYS A 19 -23.884 -4.496 -18.323 1.00 0.00 C ATOM 242 C LYS A 19 -23.233 -3.129 -18.507 1.00 0.00 C ATOM 243 O LYS A 19 -23.041 -2.668 -19.633 1.00 0.00 O ATOM 244 CB LYS A 19 -22.888 -5.600 -18.686 1.00 0.00 C ATOM 245 CG LYS A 19 -23.443 -7.003 -18.507 1.00 0.00 C ATOM 246 CD LYS A 19 -23.321 -7.471 -17.067 1.00 0.00 C ATOM 247 CE LYS A 19 -21.880 -7.800 -16.708 1.00 0.00 C ATOM 248 NZ LYS A 19 -21.550 -9.226 -16.986 1.00 0.00 N ATOM 0 H LYS A 19 -24.915 -4.657 -20.141 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.171 -4.604 -17.277 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.577 -5.471 -19.723 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.996 -5.490 -18.070 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -24.490 -7.022 -18.809 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.909 -7.693 -19.161 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.696 -6.696 -16.398 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -23.945 -8.352 -16.915 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.208 -7.155 -17.274 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.711 -7.587 -15.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.559 -9.410 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.174 -9.842 -16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.686 -9.423 -17.998 1.00 0.00 H new ATOM 262 N THR A 20 -22.893 -2.486 -17.395 1.00 0.00 N ATOM 263 CA THR A 20 -22.263 -1.172 -17.434 1.00 0.00 C ATOM 264 C THR A 20 -20.776 -1.284 -17.751 1.00 0.00 C ATOM 265 O THR A 20 -20.267 -0.598 -18.637 1.00 0.00 O ATOM 266 CB THR A 20 -22.436 -0.426 -16.097 1.00 0.00 C ATOM 267 OG1 THR A 20 -21.831 -1.174 -15.037 1.00 0.00 O ATOM 268 CG2 THR A 20 -23.909 -0.201 -15.790 1.00 0.00 C ATOM 0 H THR A 20 -23.043 -2.854 -16.456 1.00 0.00 H new ATOM 0 HA THR A 20 -22.759 -0.608 -18.224 1.00 0.00 H new ATOM 0 HB THR A 20 -21.946 0.544 -16.181 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.944 -0.692 -14.191 1.00 0.00 H new ATOM 0 HG21 THR A 20 -24.006 0.327 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 20 -24.360 0.394 -16.585 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.418 -1.163 -15.724 1.00 0.00 H new ATOM 276 N ASP A 21 -20.085 -2.154 -17.023 1.00 0.00 N ATOM 277 CA ASP A 21 -18.655 -2.358 -17.228 1.00 0.00 C ATOM 278 C ASP A 21 -17.962 -1.042 -17.568 1.00 0.00 C ATOM 279 O ASP A 21 -17.099 -0.993 -18.444 1.00 0.00 O ATOM 280 CB ASP A 21 -18.419 -3.376 -18.345 1.00 0.00 C ATOM 281 CG ASP A 21 -18.990 -2.922 -19.674 1.00 0.00 C ATOM 282 OD1 ASP A 21 -20.206 -3.103 -19.889 1.00 0.00 O ATOM 283 OD2 ASP A 21 -18.220 -2.386 -20.498 1.00 0.00 O ATOM 0 H ASP A 21 -20.492 -2.730 -16.286 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.231 -2.743 -16.300 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.348 -3.550 -18.454 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.870 -4.328 -18.066 1.00 0.00 H new ATOM 288 N GLU A 22 -18.347 0.021 -16.870 1.00 0.00 N ATOM 289 CA GLU A 22 -17.764 1.338 -17.099 1.00 0.00 C ATOM 290 C GLU A 22 -16.551 1.559 -16.201 1.00 0.00 C ATOM 291 O GLU A 22 -15.512 2.047 -16.649 1.00 0.00 O ATOM 292 CB GLU A 22 -18.804 2.432 -16.850 1.00 0.00 C ATOM 293 CG GLU A 22 -19.344 2.445 -15.430 1.00 0.00 C ATOM 294 CD GLU A 22 -18.488 3.269 -14.488 1.00 0.00 C ATOM 295 OE1 GLU A 22 -17.893 4.267 -14.945 1.00 0.00 O ATOM 296 OE2 GLU A 22 -18.414 2.915 -13.292 1.00 0.00 O ATOM 0 H GLU A 22 -19.060 -0.004 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 22 -17.439 1.387 -18.138 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.358 3.402 -17.069 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.634 2.298 -17.544 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -20.359 2.843 -15.435 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -19.405 1.422 -15.059 1.00 0.00 H new ATOM 303 N HIS A 23 -16.689 1.198 -14.929 1.00 0.00 N ATOM 304 CA HIS A 23 -15.605 1.357 -13.966 1.00 0.00 C ATOM 305 C HIS A 23 -14.401 0.507 -14.359 1.00 0.00 C ATOM 306 O HIS A 23 -14.547 -0.544 -14.984 1.00 0.00 O ATOM 307 CB HIS A 23 -16.080 0.974 -12.564 1.00 0.00 C ATOM 308 CG HIS A 23 -16.509 -0.456 -12.447 1.00 0.00 C ATOM 309 ND1 HIS A 23 -15.617 -1.504 -12.355 1.00 0.00 N ATOM 310 CD2 HIS A 23 -17.743 -1.010 -12.406 1.00 0.00 C ATOM 311 CE1 HIS A 23 -16.285 -2.640 -12.264 1.00 0.00 C ATOM 312 NE2 HIS A 23 -17.577 -2.368 -12.292 1.00 0.00 N ATOM 0 H HIS A 23 -17.541 0.793 -14.541 1.00 0.00 H new ATOM 0 HA HIS A 23 -15.303 2.404 -13.965 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -15.276 1.163 -11.853 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -16.913 1.619 -12.283 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.684 -0.482 -12.454 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.849 -3.624 -12.181 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -18.329 -3.055 -12.238 1.00 0.00 H new ATOM 320 N LYS A 24 -13.211 0.968 -13.989 1.00 0.00 N ATOM 321 CA LYS A 24 -11.981 0.251 -14.301 1.00 0.00 C ATOM 322 C LYS A 24 -11.112 0.093 -13.058 1.00 0.00 C ATOM 323 O LYS A 24 -11.390 0.687 -12.016 1.00 0.00 O ATOM 324 CB LYS A 24 -11.200 0.987 -15.392 1.00 0.00 C ATOM 325 CG LYS A 24 -11.595 0.581 -16.802 1.00 0.00 C ATOM 326 CD LYS A 24 -10.555 1.019 -17.820 1.00 0.00 C ATOM 327 CE LYS A 24 -9.534 -0.077 -18.081 1.00 0.00 C ATOM 328 NZ LYS A 24 -8.339 0.058 -17.203 1.00 0.00 N ATOM 0 H LYS A 24 -13.073 1.836 -13.472 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.251 -0.741 -14.662 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.353 2.060 -15.276 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.135 0.800 -15.254 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.718 -0.501 -16.849 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.559 1.023 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.049 1.287 -18.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.046 1.913 -17.460 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.996 -1.050 -17.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.223 -0.043 -19.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.482 -0.175 -17.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.273 1.036 -16.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.426 -0.592 -16.396 1.00 0.00 H new ATOM 342 N SER A 25 -10.059 -0.709 -13.175 1.00 0.00 N ATOM 343 CA SER A 25 -9.151 -0.946 -12.059 1.00 0.00 C ATOM 344 C SER A 25 -7.700 -0.955 -12.531 1.00 0.00 C ATOM 345 O SER A 25 -7.360 -1.612 -13.515 1.00 0.00 O ATOM 346 CB SER A 25 -9.484 -2.273 -11.375 1.00 0.00 C ATOM 347 OG SER A 25 -9.050 -3.372 -12.156 1.00 0.00 O ATOM 0 H SER A 25 -9.813 -1.206 -14.031 1.00 0.00 H new ATOM 0 HA SER A 25 -9.277 -0.134 -11.343 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.009 -2.310 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.559 -2.341 -11.211 1.00 0.00 H new ATOM 0 HG SER A 25 -9.273 -4.208 -11.696 1.00 0.00 H new ATOM 353 N TYR A 26 -6.849 -0.221 -11.823 1.00 0.00 N ATOM 354 CA TYR A 26 -5.435 -0.141 -12.170 1.00 0.00 C ATOM 355 C TYR A 26 -4.567 -0.707 -11.051 1.00 0.00 C ATOM 356 O TYR A 26 -4.897 -0.583 -9.871 1.00 0.00 O ATOM 357 CB TYR A 26 -5.039 1.309 -12.455 1.00 0.00 C ATOM 358 CG TYR A 26 -5.846 1.951 -13.561 1.00 0.00 C ATOM 359 CD1 TYR A 26 -7.098 2.498 -13.307 1.00 0.00 C ATOM 360 CD2 TYR A 26 -5.357 2.009 -14.860 1.00 0.00 C ATOM 361 CE1 TYR A 26 -7.839 3.085 -14.315 1.00 0.00 C ATOM 362 CE2 TYR A 26 -6.090 2.595 -15.874 1.00 0.00 C ATOM 363 CZ TYR A 26 -7.331 3.131 -15.596 1.00 0.00 C ATOM 364 OH TYR A 26 -8.065 3.715 -16.603 1.00 0.00 O ATOM 0 H TYR A 26 -7.114 0.327 -11.005 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.273 -0.737 -13.068 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.157 1.895 -11.543 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.982 1.343 -12.721 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.499 2.464 -12.305 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.387 1.589 -15.081 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.810 3.505 -14.101 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.694 2.633 -16.878 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.564 3.666 -17.444 1.00 0.00 H new ATOM 374 N SER A 27 -3.454 -1.327 -11.430 1.00 0.00 N ATOM 375 CA SER A 27 -2.538 -1.915 -10.460 1.00 0.00 C ATOM 376 C SER A 27 -1.431 -0.932 -10.092 1.00 0.00 C ATOM 377 O SER A 27 -0.775 -0.363 -10.965 1.00 0.00 O ATOM 378 CB SER A 27 -1.928 -3.202 -11.018 1.00 0.00 C ATOM 379 OG SER A 27 -1.149 -2.938 -12.172 1.00 0.00 O ATOM 0 H SER A 27 -3.165 -1.435 -12.402 1.00 0.00 H new ATOM 0 HA SER A 27 -3.105 -2.151 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.307 -3.674 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.722 -3.907 -11.265 1.00 0.00 H new ATOM 0 HG SER A 27 -0.863 -2.001 -12.166 1.00 0.00 H new ATOM 385 N CYS A 28 -1.230 -0.736 -8.793 1.00 0.00 N ATOM 386 CA CYS A 28 -0.204 0.178 -8.307 1.00 0.00 C ATOM 387 C CYS A 28 1.149 -0.136 -8.940 1.00 0.00 C ATOM 388 O CYS A 28 1.524 -1.300 -9.082 1.00 0.00 O ATOM 389 CB CYS A 28 -0.097 0.095 -6.783 1.00 0.00 C ATOM 390 SG CYS A 28 0.954 1.384 -6.040 1.00 0.00 S ATOM 0 H CYS A 28 -1.765 -1.199 -8.058 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.492 1.190 -8.590 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.097 0.165 -6.355 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.299 -0.883 -6.510 1.00 0.00 H new ATOM 395 N SER A 29 1.876 0.910 -9.319 1.00 0.00 N ATOM 396 CA SER A 29 3.185 0.747 -9.940 1.00 0.00 C ATOM 397 C SER A 29 4.297 0.859 -8.902 1.00 0.00 C ATOM 398 O SER A 29 5.410 1.286 -9.210 1.00 0.00 O ATOM 399 CB SER A 29 3.388 1.795 -11.036 1.00 0.00 C ATOM 400 OG SER A 29 2.853 1.352 -12.271 1.00 0.00 O ATOM 0 H SER A 29 1.580 1.880 -9.207 1.00 0.00 H new ATOM 0 HA SER A 29 3.226 -0.247 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.909 2.729 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.452 2.004 -11.151 1.00 0.00 H new ATOM 0 HG SER A 29 2.994 2.040 -12.954 1.00 0.00 H new ATOM 406 N PHE A 30 3.987 0.471 -7.669 1.00 0.00 N ATOM 407 CA PHE A 30 4.959 0.528 -6.583 1.00 0.00 C ATOM 408 C PHE A 30 5.539 -0.854 -6.299 1.00 0.00 C ATOM 409 O PHE A 30 4.862 -1.869 -6.459 1.00 0.00 O ATOM 410 CB PHE A 30 4.309 1.091 -5.317 1.00 0.00 C ATOM 411 CG PHE A 30 5.180 0.986 -4.098 1.00 0.00 C ATOM 412 CD1 PHE A 30 6.159 1.933 -3.847 1.00 0.00 C ATOM 413 CD2 PHE A 30 5.019 -0.060 -3.204 1.00 0.00 C ATOM 414 CE1 PHE A 30 6.962 1.840 -2.726 1.00 0.00 C ATOM 415 CE2 PHE A 30 5.819 -0.158 -2.081 1.00 0.00 C ATOM 416 CZ PHE A 30 6.793 0.792 -1.842 1.00 0.00 C ATOM 0 H PHE A 30 3.071 0.114 -7.397 1.00 0.00 H new ATOM 0 HA PHE A 30 5.771 1.187 -6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.055 2.138 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.374 0.562 -5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.297 2.754 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.260 -0.807 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.721 2.586 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.683 -0.977 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.421 0.716 -0.966 1.00 0.00 H new ATOM 426 N LYS A 31 6.799 -0.885 -5.877 1.00 0.00 N ATOM 427 CA LYS A 31 7.472 -2.141 -5.569 1.00 0.00 C ATOM 428 C LYS A 31 7.015 -2.688 -4.221 1.00 0.00 C ATOM 429 O LYS A 31 7.494 -2.260 -3.171 1.00 0.00 O ATOM 430 CB LYS A 31 8.990 -1.941 -5.562 1.00 0.00 C ATOM 431 CG LYS A 31 9.758 -3.135 -5.021 1.00 0.00 C ATOM 432 CD LYS A 31 11.167 -3.194 -5.587 1.00 0.00 C ATOM 433 CE LYS A 31 11.747 -4.597 -5.492 1.00 0.00 C ATOM 434 NZ LYS A 31 12.450 -4.820 -4.199 1.00 0.00 N ATOM 0 H LYS A 31 7.375 -0.054 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 31 7.210 -2.864 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.326 -1.734 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.230 -1.063 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.804 -3.077 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.226 -4.054 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.156 -2.874 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.807 -2.497 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.947 -5.329 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.442 -4.759 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.831 -5.787 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.230 -4.138 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.781 -4.690 -3.413 1.00 0.00 H new ATOM 448 N GLY A 32 6.085 -3.638 -4.257 1.00 0.00 N ATOM 449 CA GLY A 32 5.580 -4.228 -3.031 1.00 0.00 C ATOM 450 C GLY A 32 4.168 -3.778 -2.710 1.00 0.00 C ATOM 451 O GLY A 32 3.832 -3.547 -1.548 1.00 0.00 O ATOM 0 H GLY A 32 5.673 -4.009 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.601 -5.314 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.239 -3.962 -2.205 1.00 0.00 H new ATOM 455 N CYS A 33 3.340 -3.653 -3.741 1.00 0.00 N ATOM 456 CA CYS A 33 1.957 -3.225 -3.564 1.00 0.00 C ATOM 457 C CYS A 33 1.050 -3.875 -4.605 1.00 0.00 C ATOM 458 O CYS A 33 1.316 -3.809 -5.806 1.00 0.00 O ATOM 459 CB CYS A 33 1.856 -1.702 -3.662 1.00 0.00 C ATOM 460 SG CYS A 33 0.149 -1.067 -3.632 1.00 0.00 S ATOM 0 H CYS A 33 3.602 -3.842 -4.708 1.00 0.00 H new ATOM 0 HA CYS A 33 1.628 -3.540 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.412 -1.258 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.338 -1.375 -4.583 1.00 0.00 H new ATOM 465 N THR A 34 -0.024 -4.503 -4.137 1.00 0.00 N ATOM 466 CA THR A 34 -0.970 -5.165 -5.026 1.00 0.00 C ATOM 467 C THR A 34 -2.375 -4.596 -4.855 1.00 0.00 C ATOM 468 O THR A 34 -3.364 -5.324 -4.943 1.00 0.00 O ATOM 469 CB THR A 34 -1.009 -6.684 -4.774 1.00 0.00 C ATOM 470 OG1 THR A 34 -1.434 -6.947 -3.432 1.00 0.00 O ATOM 471 CG2 THR A 34 0.358 -7.307 -5.010 1.00 0.00 C ATOM 0 H THR A 34 -0.260 -4.567 -3.147 1.00 0.00 H new ATOM 0 HA THR A 34 -0.628 -4.982 -6.045 1.00 0.00 H new ATOM 0 HB THR A 34 -1.718 -7.128 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.458 -7.915 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.306 -8.380 -4.826 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.665 -7.130 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.084 -6.858 -4.333 1.00 0.00 H new ATOM 479 N ASP A 35 -2.455 -3.293 -4.612 1.00 0.00 N ATOM 480 CA ASP A 35 -3.739 -2.627 -4.431 1.00 0.00 C ATOM 481 C ASP A 35 -4.174 -1.926 -5.714 1.00 0.00 C ATOM 482 O ASP A 35 -3.342 -1.445 -6.483 1.00 0.00 O ATOM 483 CB ASP A 35 -3.656 -1.615 -3.286 1.00 0.00 C ATOM 484 CG ASP A 35 -3.488 -2.282 -1.935 1.00 0.00 C ATOM 485 OD1 ASP A 35 -3.925 -3.443 -1.788 1.00 0.00 O ATOM 486 OD2 ASP A 35 -2.919 -1.644 -1.026 1.00 0.00 O ATOM 0 H ASP A 35 -1.646 -2.677 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.481 -3.386 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.818 -0.940 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.560 -1.006 -3.277 1.00 0.00 H new ATOM 491 N VAL A 36 -5.483 -1.874 -5.940 1.00 0.00 N ATOM 492 CA VAL A 36 -6.029 -1.233 -7.131 1.00 0.00 C ATOM 493 C VAL A 36 -7.088 -0.201 -6.762 1.00 0.00 C ATOM 494 O VAL A 36 -7.551 -0.152 -5.623 1.00 0.00 O ATOM 495 CB VAL A 36 -6.647 -2.267 -8.091 1.00 0.00 C ATOM 496 CG1 VAL A 36 -5.576 -3.201 -8.633 1.00 0.00 C ATOM 497 CG2 VAL A 36 -7.747 -3.051 -7.392 1.00 0.00 C ATOM 0 H VAL A 36 -6.185 -2.268 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.199 -0.734 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.090 -1.736 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.032 -3.924 -9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.827 -2.621 -9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.100 -3.728 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.173 -3.777 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.331 -3.573 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.527 -2.366 -7.060 1.00 0.00 H new ATOM 507 N GLU A 37 -7.467 0.623 -7.734 1.00 0.00 N ATOM 508 CA GLU A 37 -8.472 1.656 -7.511 1.00 0.00 C ATOM 509 C GLU A 37 -9.310 1.879 -8.766 1.00 0.00 C ATOM 510 O GLU A 37 -8.880 1.569 -9.878 1.00 0.00 O ATOM 511 CB GLU A 37 -7.804 2.967 -7.090 1.00 0.00 C ATOM 512 CG GLU A 37 -7.109 2.890 -5.741 1.00 0.00 C ATOM 513 CD GLU A 37 -8.078 2.992 -4.580 1.00 0.00 C ATOM 514 OE1 GLU A 37 -9.089 2.258 -4.584 1.00 0.00 O ATOM 515 OE2 GLU A 37 -7.827 3.806 -3.666 1.00 0.00 O ATOM 0 H GLU A 37 -7.094 0.595 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.131 1.319 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.076 3.254 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.557 3.754 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.562 1.950 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.375 3.692 -5.668 1.00 0.00 H new ATOM 522 N LEU A 38 -10.510 2.419 -8.580 1.00 0.00 N ATOM 523 CA LEU A 38 -11.411 2.684 -9.697 1.00 0.00 C ATOM 524 C LEU A 38 -10.690 3.435 -10.812 1.00 0.00 C ATOM 525 O LEU A 38 -10.837 3.110 -11.990 1.00 0.00 O ATOM 526 CB LEU A 38 -12.620 3.491 -9.222 1.00 0.00 C ATOM 527 CG LEU A 38 -13.406 2.897 -8.052 1.00 0.00 C ATOM 528 CD1 LEU A 38 -14.047 4.000 -7.225 1.00 0.00 C ATOM 529 CD2 LEU A 38 -14.462 1.924 -8.558 1.00 0.00 C ATOM 0 H LEU A 38 -10.881 2.682 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.753 1.727 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.278 4.486 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.301 3.618 -10.064 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.712 2.349 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.602 3.558 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.272 4.658 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.728 4.576 -7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.011 1.511 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.153 2.448 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.979 1.115 -9.106 1.00 0.00 H new ATOM 541 N VAL A 39 -9.909 4.441 -10.431 1.00 0.00 N ATOM 542 CA VAL A 39 -9.162 5.237 -11.398 1.00 0.00 C ATOM 543 C VAL A 39 -7.669 4.943 -11.315 1.00 0.00 C ATOM 544 O VAL A 39 -7.234 4.105 -10.526 1.00 0.00 O ATOM 545 CB VAL A 39 -9.390 6.745 -11.179 1.00 0.00 C ATOM 546 CG1 VAL A 39 -10.857 7.097 -11.372 1.00 0.00 C ATOM 547 CG2 VAL A 39 -8.911 7.161 -9.796 1.00 0.00 C ATOM 0 H VAL A 39 -9.777 4.724 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.529 4.961 -12.386 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.809 7.294 -11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.999 8.166 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.163 6.837 -12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.462 6.541 -10.656 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.080 8.229 -9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.463 6.606 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.847 6.946 -9.700 1.00 0.00 H new ATOM 557 N ALA A 40 -6.888 5.639 -12.135 1.00 0.00 N ATOM 558 CA ALA A 40 -5.442 5.454 -12.153 1.00 0.00 C ATOM 559 C ALA A 40 -4.718 6.754 -11.821 1.00 0.00 C ATOM 560 O ALA A 40 -4.728 7.701 -12.609 1.00 0.00 O ATOM 561 CB ALA A 40 -4.994 4.929 -13.509 1.00 0.00 C ATOM 0 H ALA A 40 -7.232 6.336 -12.795 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.185 4.721 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.912 4.796 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.477 3.972 -13.707 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.271 5.643 -14.285 1.00 0.00 H new ATOM 567 N VAL A 41 -4.091 6.795 -10.650 1.00 0.00 N ATOM 568 CA VAL A 41 -3.361 7.980 -10.214 1.00 0.00 C ATOM 569 C VAL A 41 -2.005 8.075 -10.904 1.00 0.00 C ATOM 570 O VAL A 41 -1.006 7.554 -10.407 1.00 0.00 O ATOM 571 CB VAL A 41 -3.150 7.979 -8.689 1.00 0.00 C ATOM 572 CG1 VAL A 41 -2.357 9.205 -8.259 1.00 0.00 C ATOM 573 CG2 VAL A 41 -4.487 7.918 -7.966 1.00 0.00 C ATOM 0 H VAL A 41 -4.074 6.021 -9.986 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.966 8.844 -10.489 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.577 7.092 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.218 9.187 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.384 9.200 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.901 10.107 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.319 7.918 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.088 8.785 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.013 7.007 -8.251 1.00 0.00 H new ATOM 583 N ILE A 42 -1.977 8.744 -12.052 1.00 0.00 N ATOM 584 CA ILE A 42 -0.743 8.909 -12.810 1.00 0.00 C ATOM 585 C ILE A 42 0.128 10.008 -12.210 1.00 0.00 C ATOM 586 O ILE A 42 -0.358 11.092 -11.885 1.00 0.00 O ATOM 587 CB ILE A 42 -1.028 9.243 -14.286 1.00 0.00 C ATOM 588 CG1 ILE A 42 -1.689 8.052 -14.982 1.00 0.00 C ATOM 589 CG2 ILE A 42 0.257 9.634 -14.999 1.00 0.00 C ATOM 590 CD1 ILE A 42 -0.859 6.789 -14.937 1.00 0.00 C ATOM 0 H ILE A 42 -2.795 9.180 -12.477 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.212 7.959 -12.758 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.714 10.090 -14.326 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.655 7.859 -14.515 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.884 8.312 -16.022 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.038 9.867 -16.041 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.690 10.509 -14.515 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.965 8.806 -14.953 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.390 5.987 -15.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.097 6.964 -15.430 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.686 6.504 -13.899 1.00 0.00 H new ATOM 602 N CYS A 43 1.418 9.722 -12.068 1.00 0.00 N ATOM 603 CA CYS A 43 2.358 10.686 -11.509 1.00 0.00 C ATOM 604 C CYS A 43 2.890 11.619 -12.593 1.00 0.00 C ATOM 605 O CYS A 43 3.414 11.184 -13.618 1.00 0.00 O ATOM 606 CB CYS A 43 3.521 9.961 -10.829 1.00 0.00 C ATOM 607 SG CYS A 43 4.707 11.069 -10.002 1.00 0.00 S ATOM 0 H CYS A 43 1.836 8.830 -12.332 1.00 0.00 H new ATOM 0 HA CYS A 43 1.828 11.284 -10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.120 9.262 -10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.052 9.369 -11.575 1.00 0.00 H new ATOM 612 N PRO A 44 2.752 12.933 -12.363 1.00 0.00 N ATOM 613 CA PRO A 44 3.213 13.955 -13.307 1.00 0.00 C ATOM 614 C PRO A 44 4.734 14.028 -13.386 1.00 0.00 C ATOM 615 O PRO A 44 5.290 14.909 -14.042 1.00 0.00 O ATOM 616 CB PRO A 44 2.644 15.253 -12.731 1.00 0.00 C ATOM 617 CG PRO A 44 2.481 14.982 -11.275 1.00 0.00 C ATOM 618 CD PRO A 44 2.136 13.523 -11.162 1.00 0.00 C ATOM 0 HA PRO A 44 2.886 13.746 -14.326 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.318 16.092 -12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.691 15.508 -13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.397 15.210 -10.731 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.694 15.603 -10.848 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.537 13.085 -10.248 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.058 13.365 -11.145 1.00 0.00 H new ATOM 626 N TYR A 45 5.402 13.098 -12.712 1.00 0.00 N ATOM 627 CA TYR A 45 6.859 13.058 -12.704 1.00 0.00 C ATOM 628 C TYR A 45 7.376 11.833 -13.453 1.00 0.00 C ATOM 629 O TYR A 45 8.095 11.955 -14.445 1.00 0.00 O ATOM 630 CB TYR A 45 7.382 13.049 -11.267 1.00 0.00 C ATOM 631 CG TYR A 45 6.963 14.259 -10.462 1.00 0.00 C ATOM 632 CD1 TYR A 45 5.649 14.414 -10.038 1.00 0.00 C ATOM 633 CD2 TYR A 45 7.882 15.246 -10.125 1.00 0.00 C ATOM 634 CE1 TYR A 45 5.262 15.518 -9.303 1.00 0.00 C ATOM 635 CE2 TYR A 45 7.503 16.352 -9.390 1.00 0.00 C ATOM 636 CZ TYR A 45 6.193 16.484 -8.982 1.00 0.00 C ATOM 637 OH TYR A 45 5.811 17.585 -8.249 1.00 0.00 O ATOM 0 H TYR A 45 4.957 12.362 -12.164 1.00 0.00 H new ATOM 0 HA TYR A 45 7.224 13.951 -13.211 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.027 12.149 -10.766 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.470 12.995 -11.286 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.918 13.659 -10.287 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.909 15.146 -10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.236 15.624 -8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.229 17.110 -9.136 1.00 0.00 H new ATOM 0 HH TYR A 45 6.585 18.169 -8.108 1.00 0.00 H new ATOM 647 N CYS A 46 7.003 10.653 -12.970 1.00 0.00 N ATOM 648 CA CYS A 46 7.426 9.404 -13.592 1.00 0.00 C ATOM 649 C CYS A 46 6.371 8.898 -14.571 1.00 0.00 C ATOM 650 O CYS A 46 6.579 7.903 -15.263 1.00 0.00 O ATOM 651 CB CYS A 46 7.695 8.343 -12.522 1.00 0.00 C ATOM 652 SG CYS A 46 6.334 8.126 -11.331 1.00 0.00 S ATOM 0 H CYS A 46 6.408 10.535 -12.150 1.00 0.00 H new ATOM 0 HA CYS A 46 8.346 9.596 -14.144 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.890 7.389 -13.012 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.600 8.613 -11.978 1.00 0.00 H new ATOM 657 N GLU A 47 5.238 9.592 -14.622 1.00 0.00 N ATOM 658 CA GLU A 47 4.150 9.213 -15.515 1.00 0.00 C ATOM 659 C GLU A 47 3.730 7.765 -15.278 1.00 0.00 C ATOM 660 O GLU A 47 3.597 6.982 -16.219 1.00 0.00 O ATOM 661 CB GLU A 47 4.570 9.400 -16.975 1.00 0.00 C ATOM 662 CG GLU A 47 4.237 10.774 -17.532 1.00 0.00 C ATOM 663 CD GLU A 47 2.852 10.836 -18.145 1.00 0.00 C ATOM 664 OE1 GLU A 47 2.356 9.783 -18.598 1.00 0.00 O ATOM 665 OE2 GLU A 47 2.264 11.937 -18.171 1.00 0.00 O ATOM 0 H GLU A 47 5.050 10.419 -14.056 1.00 0.00 H new ATOM 0 HA GLU A 47 3.299 9.860 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.644 9.233 -17.060 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.080 8.641 -17.585 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.310 11.513 -16.734 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.976 11.045 -18.286 1.00 0.00 H new ATOM 672 N LYS A 48 3.524 7.415 -14.012 1.00 0.00 N ATOM 673 CA LYS A 48 3.119 6.062 -13.648 1.00 0.00 C ATOM 674 C LYS A 48 1.869 6.085 -12.774 1.00 0.00 C ATOM 675 O LYS A 48 1.649 7.027 -12.015 1.00 0.00 O ATOM 676 CB LYS A 48 4.256 5.348 -12.913 1.00 0.00 C ATOM 677 CG LYS A 48 5.447 5.028 -13.799 1.00 0.00 C ATOM 678 CD LYS A 48 6.173 3.779 -13.328 1.00 0.00 C ATOM 679 CE LYS A 48 7.385 3.478 -14.195 1.00 0.00 C ATOM 680 NZ LYS A 48 6.995 2.962 -15.536 1.00 0.00 N ATOM 0 H LYS A 48 3.631 8.050 -13.221 1.00 0.00 H new ATOM 0 HA LYS A 48 2.890 5.519 -14.565 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.589 5.971 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.874 4.422 -12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.110 4.889 -14.826 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.137 5.872 -13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.488 3.909 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.490 2.930 -13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.980 4.383 -14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.017 2.745 -13.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.216 1.947 -15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.975 3.103 -15.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.522 3.474 -16.272 1.00 0.00 H new ATOM 694 N ASN A 49 1.055 5.041 -12.887 1.00 0.00 N ATOM 695 CA ASN A 49 -0.173 4.941 -12.106 1.00 0.00 C ATOM 696 C ASN A 49 0.093 4.279 -10.757 1.00 0.00 C ATOM 697 O ASN A 49 0.747 3.239 -10.682 1.00 0.00 O ATOM 698 CB ASN A 49 -1.230 4.148 -12.877 1.00 0.00 C ATOM 699 CG ASN A 49 -1.197 2.668 -12.546 1.00 0.00 C ATOM 700 OD1 ASN A 49 -0.579 1.876 -13.257 1.00 0.00 O ATOM 701 ND2 ASN A 49 -1.865 2.290 -11.463 1.00 0.00 N ATOM 0 H ASN A 49 1.223 4.252 -13.512 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.544 5.950 -11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.218 4.547 -12.648 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.072 4.282 -13.947 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.880 1.307 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.363 2.982 -10.904 1.00 0.00 H new ATOM 708 N PHE A 50 -0.420 4.889 -9.694 1.00 0.00 N ATOM 709 CA PHE A 50 -0.238 4.359 -8.347 1.00 0.00 C ATOM 710 C PHE A 50 -1.543 4.419 -7.559 1.00 0.00 C ATOM 711 O PHE A 50 -2.551 4.936 -8.042 1.00 0.00 O ATOM 712 CB PHE A 50 0.851 5.142 -7.611 1.00 0.00 C ATOM 713 CG PHE A 50 2.147 5.219 -8.366 1.00 0.00 C ATOM 714 CD1 PHE A 50 2.373 6.237 -9.279 1.00 0.00 C ATOM 715 CD2 PHE A 50 3.140 4.274 -8.164 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.564 6.312 -9.976 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.334 4.344 -8.857 1.00 0.00 C ATOM 718 CZ PHE A 50 4.546 5.363 -9.765 1.00 0.00 C ATOM 0 H PHE A 50 -0.965 5.750 -9.739 1.00 0.00 H new ATOM 0 HA PHE A 50 0.068 3.316 -8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.492 6.153 -7.417 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.031 4.676 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.609 6.981 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.979 3.474 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.727 7.111 -10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.101 3.602 -8.689 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.477 5.418 -10.309 1.00 0.00 H new ATOM 728 N CYS A 51 -1.518 3.885 -6.342 1.00 0.00 N ATOM 729 CA CYS A 51 -2.697 3.875 -5.486 1.00 0.00 C ATOM 730 C CYS A 51 -2.719 5.099 -4.575 1.00 0.00 C ATOM 731 O CYS A 51 -1.672 5.651 -4.234 1.00 0.00 O ATOM 732 CB CYS A 51 -2.731 2.598 -4.643 1.00 0.00 C ATOM 733 SG CYS A 51 -1.485 2.552 -3.314 1.00 0.00 S ATOM 0 H CYS A 51 -0.692 3.453 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.579 3.904 -6.126 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.722 2.493 -4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.581 1.739 -5.297 1.00 0.00 H new ATOM 738 N LEU A 52 -3.917 5.519 -4.186 1.00 0.00 N ATOM 739 CA LEU A 52 -4.076 6.678 -3.314 1.00 0.00 C ATOM 740 C LEU A 52 -3.090 6.625 -2.152 1.00 0.00 C ATOM 741 O LEU A 52 -2.547 7.649 -1.738 1.00 0.00 O ATOM 742 CB LEU A 52 -5.508 6.746 -2.780 1.00 0.00 C ATOM 743 CG LEU A 52 -6.545 7.366 -3.717 1.00 0.00 C ATOM 744 CD1 LEU A 52 -6.214 8.825 -3.990 1.00 0.00 C ATOM 745 CD2 LEU A 52 -6.622 6.582 -5.019 1.00 0.00 C ATOM 0 H LEU A 52 -4.793 5.075 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.870 7.574 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.830 5.735 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.501 7.315 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.519 7.321 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.963 9.249 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.210 9.379 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.231 8.894 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.365 7.037 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.649 6.595 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.908 5.552 -4.807 1.00 0.00 H new ATOM 757 N ARG A 53 -2.861 5.424 -1.631 1.00 0.00 N ATOM 758 CA ARG A 53 -1.939 5.237 -0.517 1.00 0.00 C ATOM 759 C ARG A 53 -0.505 5.539 -0.942 1.00 0.00 C ATOM 760 O ARG A 53 0.309 5.997 -0.139 1.00 0.00 O ATOM 761 CB ARG A 53 -2.033 3.806 0.016 1.00 0.00 C ATOM 762 CG ARG A 53 -3.439 3.402 0.429 1.00 0.00 C ATOM 763 CD ARG A 53 -3.885 4.139 1.683 1.00 0.00 C ATOM 764 NE ARG A 53 -5.026 3.489 2.323 1.00 0.00 N ATOM 765 CZ ARG A 53 -5.698 4.019 3.338 1.00 0.00 C ATOM 766 NH1 ARG A 53 -5.346 5.200 3.827 1.00 0.00 N ATOM 767 NH2 ARG A 53 -6.726 3.366 3.867 1.00 0.00 N ATOM 0 H ARG A 53 -3.301 4.566 -1.963 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.220 5.932 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.676 3.118 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.367 3.702 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.133 3.613 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.473 2.327 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.055 4.191 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.149 5.165 1.426 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.322 2.579 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.557 5.704 3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.865 5.604 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.999 2.457 3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.242 3.773 4.647 1.00 0.00 H new ATOM 781 N HIS A 54 -0.201 5.279 -2.210 1.00 0.00 N ATOM 782 CA HIS A 54 1.135 5.523 -2.742 1.00 0.00 C ATOM 783 C HIS A 54 1.080 6.476 -3.932 1.00 0.00 C ATOM 784 O HIS A 54 1.855 6.347 -4.880 1.00 0.00 O ATOM 785 CB HIS A 54 1.789 4.205 -3.159 1.00 0.00 C ATOM 786 CG HIS A 54 1.925 3.223 -2.037 1.00 0.00 C ATOM 787 ND1 HIS A 54 2.051 1.864 -2.237 1.00 0.00 N ATOM 788 CD2 HIS A 54 1.955 3.408 -0.696 1.00 0.00 C ATOM 789 CE1 HIS A 54 2.152 1.257 -1.068 1.00 0.00 C ATOM 790 NE2 HIS A 54 2.097 2.171 -0.117 1.00 0.00 N ATOM 0 H HIS A 54 -0.862 4.899 -2.888 1.00 0.00 H new ATOM 0 HA HIS A 54 1.734 5.985 -1.957 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.200 3.753 -3.957 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.777 4.413 -3.571 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.881 4.353 -0.178 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.261 0.193 -0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.151 1.988 0.885 1.00 0.00 H new ATOM 798 N ARG A 55 0.158 7.432 -3.877 1.00 0.00 N ATOM 799 CA ARG A 55 0.001 8.405 -4.951 1.00 0.00 C ATOM 800 C ARG A 55 1.117 9.445 -4.910 1.00 0.00 C ATOM 801 O ARG A 55 1.599 9.894 -5.950 1.00 0.00 O ATOM 802 CB ARG A 55 -1.360 9.097 -4.846 1.00 0.00 C ATOM 803 CG ARG A 55 -1.424 10.151 -3.753 1.00 0.00 C ATOM 804 CD ARG A 55 -2.861 10.483 -3.383 1.00 0.00 C ATOM 805 NE ARG A 55 -2.939 11.568 -2.409 1.00 0.00 N ATOM 806 CZ ARG A 55 -4.037 12.282 -2.190 1.00 0.00 C ATOM 807 NH1 ARG A 55 -5.145 12.027 -2.873 1.00 0.00 N ATOM 808 NH2 ARG A 55 -4.030 13.253 -1.286 1.00 0.00 N ATOM 0 H ARG A 55 -0.491 7.553 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 55 0.058 7.873 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.596 9.563 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.127 8.345 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.893 9.794 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.915 11.055 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.411 10.762 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.345 9.595 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.104 11.790 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.155 11.281 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.987 12.577 -2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.180 13.452 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.874 13.800 -1.119 1.00 0.00 H new ATOM 822 N HIS A 56 1.522 9.823 -3.702 1.00 0.00 N ATOM 823 CA HIS A 56 2.582 10.810 -3.525 1.00 0.00 C ATOM 824 C HIS A 56 3.867 10.356 -4.211 1.00 0.00 C ATOM 825 O HIS A 56 4.019 9.182 -4.548 1.00 0.00 O ATOM 826 CB HIS A 56 2.841 11.051 -2.038 1.00 0.00 C ATOM 827 CG HIS A 56 1.993 12.137 -1.450 1.00 0.00 C ATOM 828 ND1 HIS A 56 2.435 12.980 -0.453 1.00 0.00 N ATOM 829 CD2 HIS A 56 0.723 12.516 -1.726 1.00 0.00 C ATOM 830 CE1 HIS A 56 1.473 13.830 -0.139 1.00 0.00 C ATOM 831 NE2 HIS A 56 0.424 13.570 -0.898 1.00 0.00 N ATOM 0 H HIS A 56 1.133 9.461 -2.831 1.00 0.00 H new ATOM 0 HA HIS A 56 2.256 11.743 -3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.661 10.125 -1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.892 11.305 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.067 12.072 -2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.534 14.605 0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.464 14.071 -0.873 1.00 0.00 H new ATOM 839 N GLN A 57 4.787 11.294 -4.413 1.00 0.00 N ATOM 840 CA GLN A 57 6.058 10.989 -5.060 1.00 0.00 C ATOM 841 C GLN A 57 6.922 10.101 -4.170 1.00 0.00 C ATOM 842 O GLN A 57 7.078 8.908 -4.431 1.00 0.00 O ATOM 843 CB GLN A 57 6.807 12.280 -5.393 1.00 0.00 C ATOM 844 CG GLN A 57 6.371 12.915 -6.704 1.00 0.00 C ATOM 845 CD GLN A 57 7.202 14.129 -7.070 1.00 0.00 C ATOM 846 OE1 GLN A 57 6.862 15.258 -6.715 1.00 0.00 O ATOM 847 NE2 GLN A 57 8.300 13.903 -7.782 1.00 0.00 N ATOM 0 H GLN A 57 4.676 12.270 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 57 5.847 10.451 -5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.658 12.996 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.875 12.069 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.443 12.176 -7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.323 13.205 -6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.544 12.951 -8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.899 14.682 -8.056 1.00 0.00 H new ATOM 856 N SER A 58 7.482 10.692 -3.119 1.00 0.00 N ATOM 857 CA SER A 58 8.335 9.955 -2.193 1.00 0.00 C ATOM 858 C SER A 58 7.655 8.668 -1.736 1.00 0.00 C ATOM 859 O SER A 58 8.304 7.635 -1.571 1.00 0.00 O ATOM 860 CB SER A 58 8.677 10.824 -0.981 1.00 0.00 C ATOM 861 OG SER A 58 9.520 11.902 -1.348 1.00 0.00 O ATOM 0 H SER A 58 7.361 11.678 -2.888 1.00 0.00 H new ATOM 0 HA SER A 58 9.256 9.693 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.760 11.210 -0.536 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.168 10.216 -0.221 1.00 0.00 H new ATOM 0 HG SER A 58 9.722 12.443 -0.556 1.00 0.00 H new ATOM 867 N ASP A 59 6.344 8.740 -1.532 1.00 0.00 N ATOM 868 CA ASP A 59 5.575 7.581 -1.094 1.00 0.00 C ATOM 869 C ASP A 59 5.877 6.366 -1.966 1.00 0.00 C ATOM 870 O ASP A 59 6.136 5.274 -1.459 1.00 0.00 O ATOM 871 CB ASP A 59 4.078 7.892 -1.133 1.00 0.00 C ATOM 872 CG ASP A 59 3.580 8.507 0.161 1.00 0.00 C ATOM 873 OD1 ASP A 59 4.168 9.516 0.602 1.00 0.00 O ATOM 874 OD2 ASP A 59 2.604 7.978 0.732 1.00 0.00 O ATOM 0 H ASP A 59 5.792 9.588 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 59 5.865 7.350 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.873 8.574 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.524 6.974 -1.332 1.00 0.00 H new ATOM 879 N HIS A 60 5.842 6.564 -3.280 1.00 0.00 N ATOM 880 CA HIS A 60 6.113 5.485 -4.223 1.00 0.00 C ATOM 881 C HIS A 60 7.573 5.502 -4.665 1.00 0.00 C ATOM 882 O HIS A 60 7.922 4.948 -5.707 1.00 0.00 O ATOM 883 CB HIS A 60 5.197 5.602 -5.441 1.00 0.00 C ATOM 884 CG HIS A 60 5.408 6.858 -6.230 1.00 0.00 C ATOM 885 ND1 HIS A 60 4.382 7.715 -6.569 1.00 0.00 N ATOM 886 CD2 HIS A 60 6.536 7.401 -6.745 1.00 0.00 C ATOM 887 CE1 HIS A 60 4.870 8.729 -7.261 1.00 0.00 C ATOM 888 NE2 HIS A 60 6.174 8.563 -7.381 1.00 0.00 N ATOM 0 H HIS A 60 5.629 7.461 -3.716 1.00 0.00 H new ATOM 0 HA HIS A 60 5.916 4.538 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.359 4.742 -6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.159 5.560 -5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.534 6.996 -6.670 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.299 9.554 -7.661 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.810 9.195 -7.867 1.00 0.00 H new ATOM 896 N ASP A 61 8.420 6.144 -3.868 1.00 0.00 N ATOM 897 CA ASP A 61 9.842 6.234 -4.177 1.00 0.00 C ATOM 898 C ASP A 61 10.057 6.729 -5.604 1.00 0.00 C ATOM 899 O ASP A 61 10.747 6.087 -6.397 1.00 0.00 O ATOM 900 CB ASP A 61 10.513 4.873 -3.989 1.00 0.00 C ATOM 901 CG ASP A 61 12.026 4.961 -4.044 1.00 0.00 C ATOM 902 OD1 ASP A 61 12.635 5.354 -3.028 1.00 0.00 O ATOM 903 OD2 ASP A 61 12.601 4.637 -5.105 1.00 0.00 O ATOM 0 H ASP A 61 8.146 6.610 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 61 10.294 6.951 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.211 4.452 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.163 4.189 -4.762 1.00 0.00 H new ATOM 908 N CYS A 62 9.463 7.873 -5.924 1.00 0.00 N ATOM 909 CA CYS A 62 9.588 8.454 -7.255 1.00 0.00 C ATOM 910 C CYS A 62 11.045 8.466 -7.708 1.00 0.00 C ATOM 911 O CYS A 62 11.920 8.969 -7.004 1.00 0.00 O ATOM 912 CB CYS A 62 9.027 9.878 -7.267 1.00 0.00 C ATOM 913 SG CYS A 62 8.510 10.459 -8.915 1.00 0.00 S ATOM 0 H CYS A 62 8.890 8.417 -5.279 1.00 0.00 H new ATOM 0 HA CYS A 62 9.015 7.839 -7.949 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.173 9.926 -6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.783 10.558 -6.874 1.00 0.00 H new ATOM 918 N GLU A 63 11.296 7.909 -8.889 1.00 0.00 N ATOM 919 CA GLU A 63 12.646 7.856 -9.436 1.00 0.00 C ATOM 920 C GLU A 63 13.087 9.230 -9.933 1.00 0.00 C ATOM 921 O GLU A 63 14.281 9.515 -10.027 1.00 0.00 O ATOM 922 CB GLU A 63 12.718 6.841 -10.579 1.00 0.00 C ATOM 923 CG GLU A 63 12.095 7.337 -11.873 1.00 0.00 C ATOM 924 CD GLU A 63 10.629 6.969 -11.994 1.00 0.00 C ATOM 925 OE1 GLU A 63 10.037 6.546 -10.979 1.00 0.00 O ATOM 926 OE2 GLU A 63 10.074 7.104 -13.105 1.00 0.00 O ATOM 0 H GLU A 63 10.582 7.489 -9.484 1.00 0.00 H new ATOM 0 HA GLU A 63 13.321 7.544 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.762 6.586 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.215 5.924 -10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.200 8.420 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.642 6.919 -12.718 1.00 0.00 H new ATOM 933 N LYS A 64 12.114 10.077 -10.251 1.00 0.00 N ATOM 934 CA LYS A 64 12.399 11.422 -10.737 1.00 0.00 C ATOM 935 C LYS A 64 13.024 12.277 -9.639 1.00 0.00 C ATOM 936 O LYS A 64 13.965 13.032 -9.886 1.00 0.00 O ATOM 937 CB LYS A 64 11.118 12.084 -11.248 1.00 0.00 C ATOM 938 CG LYS A 64 10.613 11.504 -12.558 1.00 0.00 C ATOM 939 CD LYS A 64 11.518 11.879 -13.719 1.00 0.00 C ATOM 940 CE LYS A 64 11.066 13.171 -14.383 1.00 0.00 C ATOM 941 NZ LYS A 64 11.732 14.363 -13.789 1.00 0.00 N ATOM 0 H LYS A 64 11.121 9.856 -10.181 1.00 0.00 H new ATOM 0 HA LYS A 64 13.111 11.341 -11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.340 11.982 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.298 13.151 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.554 10.419 -12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.603 11.865 -12.751 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.542 11.991 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.522 11.073 -14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.285 13.127 -15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.985 13.272 -14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.012 15.010 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.365 14.060 -13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.285 14.852 -14.521 1.00 0.00 H new ATOM 955 N LEU A 65 12.495 12.153 -8.427 1.00 0.00 N ATOM 956 CA LEU A 65 13.002 12.914 -7.290 1.00 0.00 C ATOM 957 C LEU A 65 14.526 12.978 -7.313 1.00 0.00 C ATOM 958 O LEU A 65 15.180 12.166 -7.967 1.00 0.00 O ATOM 959 CB LEU A 65 12.527 12.286 -5.979 1.00 0.00 C ATOM 960 CG LEU A 65 11.083 12.587 -5.575 1.00 0.00 C ATOM 961 CD1 LEU A 65 10.650 11.686 -4.429 1.00 0.00 C ATOM 962 CD2 LEU A 65 10.931 14.052 -5.191 1.00 0.00 C ATOM 0 H LEU A 65 11.716 11.533 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 65 12.613 13.930 -7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.644 11.205 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.185 12.624 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 65 10.438 12.387 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.620 11.915 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.720 10.643 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.299 11.853 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.897 14.248 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.588 14.278 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.199 14.680 -6.040 1.00 0.00 H new ATOM 974 N GLU A 66 15.083 13.947 -6.594 1.00 0.00 N ATOM 975 CA GLU A 66 16.530 14.116 -6.532 1.00 0.00 C ATOM 976 C GLU A 66 17.154 13.112 -5.567 1.00 0.00 C ATOM 977 O GLU A 66 17.987 13.470 -4.734 1.00 0.00 O ATOM 978 CB GLU A 66 16.882 15.541 -6.101 1.00 0.00 C ATOM 979 CG GLU A 66 18.324 15.926 -6.388 1.00 0.00 C ATOM 980 CD GLU A 66 18.647 17.342 -5.953 1.00 0.00 C ATOM 981 OE1 GLU A 66 18.435 17.659 -4.764 1.00 0.00 O ATOM 982 OE2 GLU A 66 19.113 18.132 -6.800 1.00 0.00 O ATOM 0 H GLU A 66 14.555 14.627 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 66 16.934 13.936 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.220 16.240 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 66 16.693 15.646 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.990 15.232 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.518 15.825 -7.456 1.00 0.00 H new ATOM 989 N VAL A 67 16.743 11.853 -5.685 1.00 0.00 N ATOM 990 CA VAL A 67 17.261 10.797 -4.824 1.00 0.00 C ATOM 991 C VAL A 67 17.459 9.501 -5.602 1.00 0.00 C ATOM 992 O VAL A 67 16.493 8.826 -5.959 1.00 0.00 O ATOM 993 CB VAL A 67 16.320 10.530 -3.634 1.00 0.00 C ATOM 994 CG1 VAL A 67 16.841 9.378 -2.788 1.00 0.00 C ATOM 995 CG2 VAL A 67 16.154 11.787 -2.794 1.00 0.00 C ATOM 0 H VAL A 67 16.053 11.540 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 67 18.224 11.141 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 67 15.341 10.249 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 67 16.163 9.205 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 67 16.903 8.477 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 17.831 9.626 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.486 11.580 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.126 12.101 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 67 15.731 12.582 -3.408 1.00 0.00 H new ATOM 1005 N ALA A 68 18.716 9.158 -5.861 1.00 0.00 N ATOM 1006 CA ALA A 68 19.041 7.941 -6.595 1.00 0.00 C ATOM 1007 C ALA A 68 18.922 6.712 -5.700 1.00 0.00 C ATOM 1008 O ALA A 68 19.393 6.712 -4.563 1.00 0.00 O ATOM 1009 CB ALA A 68 20.442 8.037 -7.181 1.00 0.00 C ATOM 0 H ALA A 68 19.527 9.706 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 68 18.325 7.835 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.672 7.122 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 68 20.495 8.887 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 68 21.165 8.171 -6.376 1.00 0.00 H new ATOM 1015 N LYS A 69 18.290 5.666 -6.221 1.00 0.00 N ATOM 1016 CA LYS A 69 18.109 4.430 -5.470 1.00 0.00 C ATOM 1017 C LYS A 69 18.227 3.215 -6.385 1.00 0.00 C ATOM 1018 O LYS A 69 17.808 3.238 -7.543 1.00 0.00 O ATOM 1019 CB LYS A 69 16.747 4.426 -4.773 1.00 0.00 C ATOM 1020 CG LYS A 69 16.682 5.337 -3.559 1.00 0.00 C ATOM 1021 CD LYS A 69 17.459 4.761 -2.387 1.00 0.00 C ATOM 1022 CE LYS A 69 17.581 5.765 -1.251 1.00 0.00 C ATOM 1023 NZ LYS A 69 16.322 5.863 -0.461 1.00 0.00 N ATOM 0 H LYS A 69 17.894 5.650 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 69 18.895 4.374 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.982 4.731 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.508 3.408 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.084 6.317 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.642 5.485 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.961 3.861 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.454 4.464 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.400 5.473 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.832 6.745 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.445 6.557 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.545 6.166 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.096 4.934 -0.052 1.00 0.00 H new ATOM 1037 N PRO A 70 18.808 2.128 -5.856 1.00 0.00 N ATOM 1038 CA PRO A 70 18.992 0.884 -6.609 1.00 0.00 C ATOM 1039 C PRO A 70 17.672 0.168 -6.876 1.00 0.00 C ATOM 1040 O PRO A 70 17.648 -0.905 -7.480 1.00 0.00 O ATOM 1041 CB PRO A 70 19.880 0.042 -5.690 1.00 0.00 C ATOM 1042 CG PRO A 70 19.610 0.562 -4.320 1.00 0.00 C ATOM 1043 CD PRO A 70 19.331 2.031 -4.483 1.00 0.00 C ATOM 0 HA PRO A 70 19.423 1.063 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.636 -1.018 -5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 70 20.933 0.146 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 70 18.759 0.051 -3.869 1.00 0.00 H new ATOM 0 HG3 PRO A 70 20.465 0.397 -3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 70 18.606 2.386 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.234 2.628 -4.354 1.00 0.00 H new ATOM 1051 N ARG A 71 16.576 0.768 -6.424 1.00 0.00 N ATOM 1052 CA ARG A 71 15.253 0.187 -6.614 1.00 0.00 C ATOM 1053 C ARG A 71 14.872 0.174 -8.091 1.00 0.00 C ATOM 1054 O ARG A 71 15.380 0.970 -8.880 1.00 0.00 O ATOM 1055 CB ARG A 71 14.209 0.969 -5.814 1.00 0.00 C ATOM 1056 CG ARG A 71 14.547 1.101 -4.338 1.00 0.00 C ATOM 1057 CD ARG A 71 13.972 -0.051 -3.529 1.00 0.00 C ATOM 1058 NE ARG A 71 14.777 -0.346 -2.347 1.00 0.00 N ATOM 1059 CZ ARG A 71 15.874 -1.095 -2.373 1.00 0.00 C ATOM 1060 NH1 ARG A 71 16.294 -1.621 -3.515 1.00 0.00 N ATOM 1061 NH2 ARG A 71 16.553 -1.318 -1.255 1.00 0.00 N ATOM 0 H ARG A 71 16.578 1.657 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 71 15.281 -0.842 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.105 1.965 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.242 0.475 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.629 1.130 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.157 2.045 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.955 0.193 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.911 -0.940 -4.157 1.00 0.00 H new ATOM 0 HE ARG A 71 14.481 0.044 -1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.775 -1.451 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.137 -2.196 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.233 -0.914 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.395 -1.893 -1.276 1.00 0.00 H new ATOM 1075 N MET A 72 13.974 -0.735 -8.458 1.00 0.00 N ATOM 1076 CA MET A 72 13.525 -0.850 -9.840 1.00 0.00 C ATOM 1077 C MET A 72 12.209 -0.107 -10.048 1.00 0.00 C ATOM 1078 O MET A 72 11.559 0.304 -9.087 1.00 0.00 O ATOM 1079 CB MET A 72 13.359 -2.322 -10.224 1.00 0.00 C ATOM 1080 CG MET A 72 12.344 -3.062 -9.369 1.00 0.00 C ATOM 1081 SD MET A 72 11.558 -4.426 -10.248 1.00 0.00 S ATOM 1082 CE MET A 72 10.063 -3.634 -10.836 1.00 0.00 C ATOM 0 H MET A 72 13.544 -1.402 -7.818 1.00 0.00 H new ATOM 0 HA MET A 72 14.282 -0.398 -10.480 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.056 -2.384 -11.269 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.324 -2.822 -10.142 1.00 0.00 H new ATOM 0 HG2 MET A 72 12.838 -3.447 -8.477 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.579 -2.362 -9.033 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.477 -4.347 -11.416 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.476 -3.288 -9.985 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.325 -2.784 -11.466 1.00 0.00 H new ATOM 1092 N ALA A 73 11.823 0.062 -11.308 1.00 0.00 N ATOM 1093 CA ALA A 73 10.584 0.754 -11.641 1.00 0.00 C ATOM 1094 C ALA A 73 9.622 -0.169 -12.382 1.00 0.00 C ATOM 1095 O ALA A 73 10.033 -0.957 -13.232 1.00 0.00 O ATOM 1096 CB ALA A 73 10.878 1.992 -12.475 1.00 0.00 C ATOM 0 H ALA A 73 12.350 -0.271 -12.115 1.00 0.00 H new ATOM 0 HA ALA A 73 10.107 1.062 -10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.943 2.499 -12.716 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.521 2.667 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.380 1.699 -13.397 1.00 0.00 H new ATOM 1102 N ALA A 74 8.338 -0.065 -12.052 1.00 0.00 N ATOM 1103 CA ALA A 74 7.318 -0.889 -12.688 1.00 0.00 C ATOM 1104 C ALA A 74 7.302 -0.678 -14.198 1.00 0.00 C ATOM 1105 O ALA A 74 7.910 0.263 -14.710 1.00 0.00 O ATOM 1106 CB ALA A 74 5.949 -0.584 -12.096 1.00 0.00 C ATOM 0 H ALA A 74 7.981 0.581 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 74 7.561 -1.934 -12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.196 -1.206 -12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.960 -0.794 -11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.709 0.467 -12.257 1.00 0.00 H new ATOM 1112 N THR A 75 6.605 -1.560 -14.907 1.00 0.00 N ATOM 1113 CA THR A 75 6.512 -1.470 -16.359 1.00 0.00 C ATOM 1114 C THR A 75 5.059 -1.450 -16.817 1.00 0.00 C ATOM 1115 O THR A 75 4.231 -2.213 -16.319 1.00 0.00 O ATOM 1116 CB THR A 75 7.237 -2.646 -17.042 1.00 0.00 C ATOM 1117 OG1 THR A 75 8.590 -2.723 -16.578 1.00 0.00 O ATOM 1118 CG2 THR A 75 7.222 -2.486 -18.554 1.00 0.00 C ATOM 0 H THR A 75 6.097 -2.345 -14.499 1.00 0.00 H new ATOM 0 HA THR A 75 6.994 -0.537 -16.649 1.00 0.00 H new ATOM 0 HB THR A 75 6.712 -3.566 -16.785 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.044 -3.474 -17.015 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.739 -3.328 -19.014 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.191 -2.457 -18.907 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.725 -1.558 -18.827 1.00 0.00 H new ATOM 1126 N GLN A 76 4.755 -0.573 -17.768 1.00 0.00 N ATOM 1127 CA GLN A 76 3.400 -0.454 -18.293 1.00 0.00 C ATOM 1128 C GLN A 76 3.086 -1.595 -19.255 1.00 0.00 C ATOM 1129 O GLN A 76 3.370 -1.510 -20.450 1.00 0.00 O ATOM 1130 CB GLN A 76 3.220 0.890 -19.001 1.00 0.00 C ATOM 1131 CG GLN A 76 1.793 1.152 -19.456 1.00 0.00 C ATOM 1132 CD GLN A 76 1.700 2.281 -20.463 1.00 0.00 C ATOM 1133 OE1 GLN A 76 1.684 3.456 -20.096 1.00 0.00 O ATOM 1134 NE2 GLN A 76 1.639 1.930 -21.742 1.00 0.00 N ATOM 0 H GLN A 76 5.429 0.066 -18.191 1.00 0.00 H new ATOM 0 HA GLN A 76 2.707 -0.510 -17.454 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.531 1.690 -18.329 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.881 0.926 -19.867 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.383 0.243 -19.896 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.177 1.392 -18.589 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.655 0.944 -22.002 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.576 2.647 -22.465 1.00 0.00 H new ATOM 1143 N LYS A 77 2.500 -2.664 -18.726 1.00 0.00 N ATOM 1144 CA LYS A 77 2.146 -3.823 -19.537 1.00 0.00 C ATOM 1145 C LYS A 77 0.687 -3.755 -19.976 1.00 0.00 C ATOM 1146 O LYS A 77 -0.205 -3.508 -19.164 1.00 0.00 O ATOM 1147 CB LYS A 77 2.395 -5.114 -18.754 1.00 0.00 C ATOM 1148 CG LYS A 77 2.316 -6.368 -19.607 1.00 0.00 C ATOM 1149 CD LYS A 77 2.617 -7.616 -18.794 1.00 0.00 C ATOM 1150 CE LYS A 77 1.375 -8.129 -18.081 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.197 -7.491 -16.747 1.00 0.00 N ATOM 0 H LYS A 77 2.260 -2.752 -17.738 1.00 0.00 H new ATOM 0 HA LYS A 77 2.775 -3.818 -20.427 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.379 -5.063 -18.289 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.665 -5.187 -17.948 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.321 -6.449 -20.045 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.023 -6.292 -20.433 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.009 -8.393 -19.450 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.394 -7.396 -18.062 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.497 -7.935 -18.697 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.446 -9.210 -17.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.072 -8.228 -16.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.037 -6.921 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.357 -6.878 -16.765 1.00 0.00 H new ATOM 1165 N LEU A 78 0.451 -3.979 -21.264 1.00 0.00 N ATOM 1166 CA LEU A 78 -0.901 -3.945 -21.811 1.00 0.00 C ATOM 1167 C LEU A 78 -1.788 -4.986 -21.136 1.00 0.00 C ATOM 1168 O LEU A 78 -1.482 -6.179 -21.147 1.00 0.00 O ATOM 1169 CB LEU A 78 -0.868 -4.187 -23.321 1.00 0.00 C ATOM 1170 CG LEU A 78 -1.946 -3.476 -24.139 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -3.304 -4.120 -23.908 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -1.990 -1.995 -23.790 1.00 0.00 C ATOM 0 H LEU A 78 1.178 -4.186 -21.949 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.320 -2.958 -21.617 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.107 -3.878 -23.697 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.953 -5.259 -23.499 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.696 -3.573 -25.195 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.058 -3.600 -24.499 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.266 -5.167 -24.208 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.562 -4.055 -22.851 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.763 -1.505 -24.382 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.215 -1.878 -22.730 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.023 -1.541 -24.008 1.00 0.00 H new ATOM 1184 N VAL A 79 -2.890 -4.528 -20.551 1.00 0.00 N ATOM 1185 CA VAL A 79 -3.824 -5.421 -19.874 1.00 0.00 C ATOM 1186 C VAL A 79 -5.260 -4.934 -20.030 1.00 0.00 C ATOM 1187 O VAL A 79 -5.620 -3.863 -19.541 1.00 0.00 O ATOM 1188 CB VAL A 79 -3.495 -5.544 -18.375 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -2.465 -6.639 -18.142 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -3.003 -4.213 -17.826 1.00 0.00 C ATOM 0 H VAL A 79 -3.158 -3.544 -20.532 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.723 -6.400 -20.342 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.406 -5.816 -17.843 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.245 -6.711 -17.077 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.860 -7.591 -18.496 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.551 -6.400 -18.686 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.775 -4.319 -16.765 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.104 -3.909 -18.362 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.777 -3.457 -17.957 1.00 0.00 H new ATOM 1200 N ARG A 80 -6.077 -5.728 -20.714 1.00 0.00 N ATOM 1201 CA ARG A 80 -7.475 -5.378 -20.935 1.00 0.00 C ATOM 1202 C ARG A 80 -8.332 -6.632 -21.084 1.00 0.00 C ATOM 1203 O ARG A 80 -8.009 -7.528 -21.863 1.00 0.00 O ATOM 1204 CB ARG A 80 -7.612 -4.502 -22.182 1.00 0.00 C ATOM 1205 CG ARG A 80 -7.344 -3.029 -21.924 1.00 0.00 C ATOM 1206 CD ARG A 80 -7.958 -2.153 -23.005 1.00 0.00 C ATOM 1207 NE ARG A 80 -7.295 -2.330 -24.294 1.00 0.00 N ATOM 1208 CZ ARG A 80 -7.689 -1.728 -25.411 1.00 0.00 C ATOM 1209 NH1 ARG A 80 -8.736 -0.915 -25.397 1.00 0.00 N ATOM 1210 NH2 ARG A 80 -7.034 -1.939 -26.546 1.00 0.00 N ATOM 0 H ARG A 80 -5.795 -6.618 -21.125 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.826 -4.820 -20.067 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.921 -4.860 -22.945 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.618 -4.614 -22.586 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.751 -2.749 -20.952 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.269 -2.856 -21.881 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.017 -2.391 -23.106 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.893 -1.107 -22.704 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.486 -2.949 -24.339 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.242 -0.750 -24.527 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.036 -0.455 -26.256 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.228 -2.564 -26.561 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.337 -1.477 -27.403 1.00 0.00 H new ATOM 1224 N SER A 81 -9.426 -6.687 -20.330 1.00 0.00 N ATOM 1225 CA SER A 81 -10.328 -7.832 -20.375 1.00 0.00 C ATOM 1226 C SER A 81 -11.775 -7.378 -20.542 1.00 0.00 C ATOM 1227 O SER A 81 -12.440 -7.018 -19.572 1.00 0.00 O ATOM 1228 CB SER A 81 -10.187 -8.668 -19.101 1.00 0.00 C ATOM 1229 OG SER A 81 -9.077 -9.545 -19.186 1.00 0.00 O ATOM 0 H SER A 81 -9.709 -5.952 -19.681 1.00 0.00 H new ATOM 0 HA SER A 81 -10.057 -8.444 -21.235 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.068 -8.009 -18.241 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.098 -9.244 -18.938 1.00 0.00 H new ATOM 0 HG SER A 81 -9.008 -10.066 -18.359 1.00 0.00 H new ATOM 1235 N GLY A 82 -12.256 -7.398 -21.781 1.00 0.00 N ATOM 1236 CA GLY A 82 -13.620 -6.987 -22.054 1.00 0.00 C ATOM 1237 C GLY A 82 -14.320 -7.910 -23.032 1.00 0.00 C ATOM 1238 O GLY A 82 -13.884 -8.090 -24.170 1.00 0.00 O ATOM 0 H GLY A 82 -11.725 -7.692 -22.601 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.181 -6.959 -21.120 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.617 -5.973 -22.454 1.00 0.00 H new ATOM 1242 N PRO A 83 -15.431 -8.516 -22.588 1.00 0.00 N ATOM 1243 CA PRO A 83 -16.215 -9.437 -23.417 1.00 0.00 C ATOM 1244 C PRO A 83 -16.940 -8.721 -24.552 1.00 0.00 C ATOM 1245 O PRO A 83 -17.030 -7.494 -24.567 1.00 0.00 O ATOM 1246 CB PRO A 83 -17.222 -10.032 -22.430 1.00 0.00 C ATOM 1247 CG PRO A 83 -17.356 -9.004 -21.360 1.00 0.00 C ATOM 1248 CD PRO A 83 -16.008 -8.348 -21.244 1.00 0.00 C ATOM 0 HA PRO A 83 -15.587 -10.181 -23.906 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -18.180 -10.229 -22.912 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.867 -10.980 -22.026 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.124 -8.274 -21.614 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -17.650 -9.461 -20.415 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.095 -7.296 -20.973 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.393 -8.825 -20.480 1.00 0.00 H new ATOM 1256 N SER A 84 -17.457 -9.497 -25.499 1.00 0.00 N ATOM 1257 CA SER A 84 -18.172 -8.937 -26.640 1.00 0.00 C ATOM 1258 C SER A 84 -19.476 -8.282 -26.196 1.00 0.00 C ATOM 1259 O SER A 84 -20.354 -8.939 -25.636 1.00 0.00 O ATOM 1260 CB SER A 84 -18.461 -10.027 -27.673 1.00 0.00 C ATOM 1261 OG SER A 84 -19.378 -10.981 -27.165 1.00 0.00 O ATOM 0 H SER A 84 -17.394 -10.515 -25.499 1.00 0.00 H new ATOM 0 HA SER A 84 -17.540 -8.175 -27.095 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.865 -9.576 -28.579 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.532 -10.524 -27.952 1.00 0.00 H new ATOM 0 HG SER A 84 -19.941 -10.562 -26.481 1.00 0.00 H new ATOM 1267 N SER A 85 -19.595 -6.983 -26.450 1.00 0.00 N ATOM 1268 CA SER A 85 -20.790 -6.237 -26.073 1.00 0.00 C ATOM 1269 C SER A 85 -21.076 -5.125 -27.078 1.00 0.00 C ATOM 1270 O SER A 85 -20.173 -4.639 -27.756 1.00 0.00 O ATOM 1271 CB SER A 85 -20.627 -5.644 -24.672 1.00 0.00 C ATOM 1272 OG SER A 85 -20.468 -6.664 -23.702 1.00 0.00 O ATOM 0 H SER A 85 -18.879 -6.425 -26.915 1.00 0.00 H new ATOM 0 HA SER A 85 -21.633 -6.928 -26.071 1.00 0.00 H new ATOM 0 HB2 SER A 85 -19.762 -4.981 -24.653 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.499 -5.037 -24.427 1.00 0.00 H new ATOM 0 HG SER A 85 -20.364 -6.259 -22.816 1.00 0.00 H new ATOM 1278 N GLY A 86 -22.342 -4.727 -27.166 1.00 0.00 N ATOM 1279 CA GLY A 86 -22.726 -3.676 -28.091 1.00 0.00 C ATOM 1280 C GLY A 86 -23.013 -2.363 -27.389 1.00 0.00 C ATOM 1281 O GLY A 86 -22.114 -1.815 -26.752 1.00 0.00 O ATOM 0 H GLY A 86 -23.108 -5.113 -26.614 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.929 -3.528 -28.820 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -23.611 -3.989 -28.645 1.00 0.00 H new TER 1285 GLY A 86 HETATM 1286 ZN ZN A 201 0.388 1.244 -3.779 1.00 0.00 ZN HETATM 1287 ZN ZN A 401 6.443 9.544 -9.478 1.00 0.00 ZN