USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.357 USER MOD Single : A 3 SER OG : rot 18:sc= 0.636 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.203 K(o=0.2,f=-3.8!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 167:sc= -1.15 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -46:sc= 0.805 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-6.2!) USER MOD Single : A 50 ASN : amide:sc= 0.943 K(o=0.94,f=-0.24) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.228 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -59:sc= 1.2 USER MOD Single : A 65 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.1) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0174 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.352 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.343 27.673 6.277 1.00 0.00 N ATOM 2 CA GLY A 1 13.294 26.703 5.767 1.00 0.00 C ATOM 3 C GLY A 1 12.621 25.568 5.021 1.00 0.00 C ATOM 4 O GLY A 1 12.225 25.724 3.866 1.00 0.00 O ATOM 0 H1 GLY A 1 12.853 28.428 6.779 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.807 28.083 5.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.686 27.204 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.998 27.204 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.873 26.296 6.596 1.00 0.00 H new ATOM 8 N SER A 2 12.492 24.422 5.682 1.00 0.00 N ATOM 9 CA SER A 2 11.868 23.254 5.072 1.00 0.00 C ATOM 10 C SER A 2 11.505 22.217 6.130 1.00 0.00 C ATOM 11 O SER A 2 12.337 21.838 6.954 1.00 0.00 O ATOM 12 CB SER A 2 12.803 22.633 4.033 1.00 0.00 C ATOM 13 OG SER A 2 13.894 21.978 4.656 1.00 0.00 O ATOM 0 H SER A 2 12.811 24.278 6.640 1.00 0.00 H new ATOM 0 HA SER A 2 10.953 23.579 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.249 21.922 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.175 23.409 3.364 1.00 0.00 H new ATOM 0 HG SER A 2 13.672 21.791 5.592 1.00 0.00 H new ATOM 19 N SER A 3 10.256 21.763 6.102 1.00 0.00 N ATOM 20 CA SER A 3 9.781 20.772 7.060 1.00 0.00 C ATOM 21 C SER A 3 10.260 21.107 8.470 1.00 0.00 C ATOM 22 O SER A 3 10.676 20.227 9.221 1.00 0.00 O ATOM 23 CB SER A 3 10.262 19.375 6.664 1.00 0.00 C ATOM 24 OG SER A 3 11.677 19.324 6.594 1.00 0.00 O ATOM 0 H SER A 3 9.555 22.066 5.426 1.00 0.00 H new ATOM 0 HA SER A 3 8.691 20.788 7.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.904 18.644 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.837 19.100 5.699 1.00 0.00 H new ATOM 0 HG SER A 3 12.056 20.089 7.075 1.00 0.00 H new ATOM 30 N GLY A 4 10.198 22.388 8.821 1.00 0.00 N ATOM 31 CA GLY A 4 10.628 22.818 10.138 1.00 0.00 C ATOM 32 C GLY A 4 9.592 22.535 11.208 1.00 0.00 C ATOM 33 O GLY A 4 9.840 21.762 12.133 1.00 0.00 O ATOM 0 H GLY A 4 9.857 23.135 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.559 22.313 10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.841 23.887 10.116 1.00 0.00 H new ATOM 37 N SER A 5 8.428 23.164 11.082 1.00 0.00 N ATOM 38 CA SER A 5 7.351 22.980 12.049 1.00 0.00 C ATOM 39 C SER A 5 6.097 22.439 11.370 1.00 0.00 C ATOM 40 O SER A 5 5.804 22.777 10.223 1.00 0.00 O ATOM 41 CB SER A 5 7.035 24.303 12.750 1.00 0.00 C ATOM 42 OG SER A 5 8.210 24.895 13.276 1.00 0.00 O ATOM 0 H SER A 5 8.206 23.805 10.320 1.00 0.00 H new ATOM 0 HA SER A 5 7.683 22.254 12.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.563 24.988 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.320 24.130 13.554 1.00 0.00 H new ATOM 0 HG SER A 5 7.981 25.740 13.717 1.00 0.00 H new ATOM 48 N SER A 6 5.360 21.597 12.086 1.00 0.00 N ATOM 49 CA SER A 6 4.139 21.005 11.552 1.00 0.00 C ATOM 50 C SER A 6 2.907 21.743 12.069 1.00 0.00 C ATOM 51 O SER A 6 2.565 21.654 13.247 1.00 0.00 O ATOM 52 CB SER A 6 4.057 19.525 11.931 1.00 0.00 C ATOM 53 OG SER A 6 4.675 18.712 10.948 1.00 0.00 O ATOM 0 H SER A 6 5.587 21.309 13.038 1.00 0.00 H new ATOM 0 HA SER A 6 4.166 21.094 10.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.540 19.366 12.895 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.013 19.233 12.045 1.00 0.00 H new ATOM 0 HG SER A 6 4.611 17.771 11.214 1.00 0.00 H new ATOM 59 N GLY A 7 2.245 22.472 11.176 1.00 0.00 N ATOM 60 CA GLY A 7 1.058 23.215 11.559 1.00 0.00 C ATOM 61 C GLY A 7 0.661 24.248 10.523 1.00 0.00 C ATOM 62 O GLY A 7 -0.158 23.974 9.646 1.00 0.00 O ATOM 0 H GLY A 7 2.509 22.562 10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.232 22.521 11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.236 23.711 12.513 1.00 0.00 H new ATOM 66 N SER A 8 1.242 25.439 10.624 1.00 0.00 N ATOM 67 CA SER A 8 0.940 26.519 9.692 1.00 0.00 C ATOM 68 C SER A 8 0.734 25.976 8.281 1.00 0.00 C ATOM 69 O SER A 8 -0.322 26.169 7.679 1.00 0.00 O ATOM 70 CB SER A 8 2.068 27.552 9.693 1.00 0.00 C ATOM 71 OG SER A 8 1.713 28.696 8.935 1.00 0.00 O ATOM 0 H SER A 8 1.925 25.681 11.342 1.00 0.00 H new ATOM 0 HA SER A 8 0.017 26.999 10.017 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.294 27.847 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.974 27.106 9.282 1.00 0.00 H new ATOM 0 HG SER A 8 2.450 29.342 8.953 1.00 0.00 H new ATOM 77 N GLN A 9 1.751 25.296 7.760 1.00 0.00 N ATOM 78 CA GLN A 9 1.682 24.726 6.420 1.00 0.00 C ATOM 79 C GLN A 9 0.374 23.967 6.218 1.00 0.00 C ATOM 80 O GLN A 9 -0.373 23.733 7.168 1.00 0.00 O ATOM 81 CB GLN A 9 2.869 23.792 6.178 1.00 0.00 C ATOM 82 CG GLN A 9 4.164 24.524 5.863 1.00 0.00 C ATOM 83 CD GLN A 9 4.882 25.004 7.109 1.00 0.00 C ATOM 84 OE1 GLN A 9 4.580 24.567 8.220 1.00 0.00 O ATOM 85 NE2 GLN A 9 5.839 25.907 6.930 1.00 0.00 N ATOM 0 H GLN A 9 2.632 25.127 8.246 1.00 0.00 H new ATOM 0 HA GLN A 9 1.721 25.545 5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.018 23.171 7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.631 23.121 5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.823 23.862 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.947 25.378 5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.056 26.241 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.357 26.267 7.732 1.00 0.00 H new ATOM 94 N GLY A 10 0.104 23.584 4.974 1.00 0.00 N ATOM 95 CA GLY A 10 -1.114 22.856 4.670 1.00 0.00 C ATOM 96 C GLY A 10 -0.937 21.884 3.520 1.00 0.00 C ATOM 97 O GLY A 10 0.172 21.421 3.255 1.00 0.00 O ATOM 0 H GLY A 10 0.707 23.765 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.438 22.310 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.905 23.564 4.424 1.00 0.00 H new ATOM 101 N ASP A 11 -2.033 21.573 2.837 1.00 0.00 N ATOM 102 CA ASP A 11 -1.995 20.649 1.709 1.00 0.00 C ATOM 103 C ASP A 11 -1.641 21.381 0.419 1.00 0.00 C ATOM 104 O ASP A 11 -2.221 21.118 -0.635 1.00 0.00 O ATOM 105 CB ASP A 11 -3.342 19.941 1.556 1.00 0.00 C ATOM 106 CG ASP A 11 -3.228 18.642 0.783 1.00 0.00 C ATOM 107 OD1 ASP A 11 -2.145 18.022 0.822 1.00 0.00 O ATOM 108 OD2 ASP A 11 -4.222 18.246 0.139 1.00 0.00 O ATOM 0 H ASP A 11 -2.959 21.947 3.045 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.223 19.905 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.757 19.738 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.042 20.604 1.047 1.00 0.00 H new ATOM 113 N CYS A 12 -0.687 22.301 0.509 1.00 0.00 N ATOM 114 CA CYS A 12 -0.257 23.074 -0.651 1.00 0.00 C ATOM 115 C CYS A 12 0.056 22.157 -1.829 1.00 0.00 C ATOM 116 O CYS A 12 -0.432 22.367 -2.939 1.00 0.00 O ATOM 117 CB CYS A 12 0.972 23.915 -0.303 1.00 0.00 C ATOM 118 SG CYS A 12 0.633 25.285 0.827 1.00 0.00 S ATOM 0 H CYS A 12 -0.196 22.530 1.373 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.073 23.738 -0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.727 23.268 0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.398 24.314 -1.223 1.00 0.00 H new ATOM 0 HG CYS A 12 1.734 25.935 1.063 1.00 0.00 H new ATOM 124 N SER A 13 0.875 21.140 -1.579 1.00 0.00 N ATOM 125 CA SER A 13 1.259 20.194 -2.620 1.00 0.00 C ATOM 126 C SER A 13 0.786 18.785 -2.274 1.00 0.00 C ATOM 127 O SER A 13 0.932 18.330 -1.139 1.00 0.00 O ATOM 128 CB SER A 13 2.777 20.202 -2.812 1.00 0.00 C ATOM 129 OG SER A 13 3.184 21.303 -3.606 1.00 0.00 O ATOM 0 H SER A 13 1.285 20.950 -0.665 1.00 0.00 H new ATOM 0 HA SER A 13 0.781 20.501 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.269 20.248 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.092 19.272 -3.285 1.00 0.00 H new ATOM 0 HG SER A 13 4.158 21.287 -3.713 1.00 0.00 H new ATOM 135 N TYR A 14 0.220 18.099 -3.261 1.00 0.00 N ATOM 136 CA TYR A 14 -0.277 16.743 -3.062 1.00 0.00 C ATOM 137 C TYR A 14 0.624 15.967 -2.106 1.00 0.00 C ATOM 138 O TYR A 14 1.821 16.237 -2.007 1.00 0.00 O ATOM 139 CB TYR A 14 -0.370 16.010 -4.401 1.00 0.00 C ATOM 140 CG TYR A 14 0.872 16.146 -5.253 1.00 0.00 C ATOM 141 CD1 TYR A 14 2.007 15.390 -4.988 1.00 0.00 C ATOM 142 CD2 TYR A 14 0.909 17.030 -6.324 1.00 0.00 C ATOM 143 CE1 TYR A 14 3.144 15.512 -5.764 1.00 0.00 C ATOM 144 CE2 TYR A 14 2.041 17.158 -7.106 1.00 0.00 C ATOM 145 CZ TYR A 14 3.156 16.397 -6.822 1.00 0.00 C ATOM 146 OH TYR A 14 4.286 16.521 -7.598 1.00 0.00 O ATOM 0 H TYR A 14 0.094 18.460 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.272 16.809 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.559 14.953 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.226 16.393 -4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.001 14.695 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.038 17.627 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.018 14.918 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.053 17.850 -7.935 1.00 0.00 H new ATOM 0 HH TYR A 14 4.129 17.185 -8.301 1.00 0.00 H new ATOM 156 N SER A 15 0.040 15.002 -1.404 1.00 0.00 N ATOM 157 CA SER A 15 0.788 14.187 -0.453 1.00 0.00 C ATOM 158 C SER A 15 1.639 13.150 -1.178 1.00 0.00 C ATOM 159 O SER A 15 1.122 12.164 -1.704 1.00 0.00 O ATOM 160 CB SER A 15 -0.168 13.491 0.517 1.00 0.00 C ATOM 161 OG SER A 15 0.497 13.123 1.713 1.00 0.00 O ATOM 0 H SER A 15 -0.949 14.765 -1.475 1.00 0.00 H new ATOM 0 HA SER A 15 1.450 14.845 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.001 14.154 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.589 12.604 0.044 1.00 0.00 H new ATOM 0 HG SER A 15 -0.165 12.875 2.392 1.00 0.00 H new ATOM 167 N ARG A 16 2.948 13.380 -1.202 1.00 0.00 N ATOM 168 CA ARG A 16 3.872 12.466 -1.864 1.00 0.00 C ATOM 169 C ARG A 16 4.390 11.415 -0.886 1.00 0.00 C ATOM 170 O ARG A 16 4.814 10.331 -1.290 1.00 0.00 O ATOM 171 CB ARG A 16 5.046 13.242 -2.464 1.00 0.00 C ATOM 172 CG ARG A 16 5.920 13.926 -1.425 1.00 0.00 C ATOM 173 CD ARG A 16 7.092 14.648 -2.071 1.00 0.00 C ATOM 174 NE ARG A 16 8.227 13.757 -2.296 1.00 0.00 N ATOM 175 CZ ARG A 16 9.403 14.167 -2.759 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.597 15.447 -3.044 1.00 0.00 N ATOM 177 NH2 ARG A 16 10.388 13.296 -2.937 1.00 0.00 N ATOM 0 H ARG A 16 3.392 14.191 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 16 3.333 11.959 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.661 12.559 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.660 13.993 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.322 14.638 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.293 13.186 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.774 15.077 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.402 15.477 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 16 8.111 12.766 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.843 16.120 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.501 15.759 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.243 12.310 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.290 13.612 -3.293 1.00 0.00 H new ATOM 191 N THR A 17 4.352 11.742 0.402 1.00 0.00 N ATOM 192 CA THR A 17 4.819 10.828 1.436 1.00 0.00 C ATOM 193 C THR A 17 3.649 10.226 2.207 1.00 0.00 C ATOM 194 O THR A 17 3.738 10.002 3.413 1.00 0.00 O ATOM 195 CB THR A 17 5.762 11.535 2.427 1.00 0.00 C ATOM 196 OG1 THR A 17 5.292 12.862 2.689 1.00 0.00 O ATOM 197 CG2 THR A 17 7.180 11.593 1.878 1.00 0.00 C ATOM 0 H THR A 17 4.002 12.633 0.754 1.00 0.00 H new ATOM 0 HA THR A 17 5.366 10.032 0.930 1.00 0.00 H new ATOM 0 HB THR A 17 5.772 10.964 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.896 13.304 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.828 12.097 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.546 10.580 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.184 12.143 0.937 1.00 0.00 H new ATOM 205 N ALA A 18 2.553 9.967 1.501 1.00 0.00 N ATOM 206 CA ALA A 18 1.366 9.389 2.119 1.00 0.00 C ATOM 207 C ALA A 18 1.417 7.865 2.086 1.00 0.00 C ATOM 208 O ALA A 18 1.240 7.205 3.112 1.00 0.00 O ATOM 209 CB ALA A 18 0.110 9.892 1.423 1.00 0.00 C ATOM 0 H ALA A 18 2.463 10.148 0.501 1.00 0.00 H new ATOM 0 HA ALA A 18 1.340 9.703 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.769 9.452 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.060 10.978 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.138 9.607 0.371 1.00 0.00 H new ATOM 215 N LEU A 19 1.658 7.311 0.903 1.00 0.00 N ATOM 216 CA LEU A 19 1.731 5.864 0.737 1.00 0.00 C ATOM 217 C LEU A 19 2.771 5.260 1.676 1.00 0.00 C ATOM 218 O LEU A 19 2.751 4.060 1.951 1.00 0.00 O ATOM 219 CB LEU A 19 2.072 5.514 -0.713 1.00 0.00 C ATOM 220 CG LEU A 19 1.314 6.294 -1.788 1.00 0.00 C ATOM 221 CD1 LEU A 19 1.569 5.694 -3.162 1.00 0.00 C ATOM 222 CD2 LEU A 19 -0.176 6.314 -1.480 1.00 0.00 C ATOM 0 H LEU A 19 1.806 7.842 0.045 1.00 0.00 H new ATOM 0 HA LEU A 19 0.756 5.445 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.140 5.673 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.884 4.451 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 19 1.678 7.321 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.022 6.262 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.636 5.732 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.233 4.657 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.700 6.873 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.555 5.292 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.341 6.791 -0.514 1.00 0.00 H new ATOM 234 N TYR A 20 3.676 6.099 2.166 1.00 0.00 N ATOM 235 CA TYR A 20 4.724 5.648 3.074 1.00 0.00 C ATOM 236 C TYR A 20 4.307 5.847 4.528 1.00 0.00 C ATOM 237 O TYR A 20 4.752 5.121 5.418 1.00 0.00 O ATOM 238 CB TYR A 20 6.027 6.400 2.797 1.00 0.00 C ATOM 239 CG TYR A 20 6.440 6.381 1.343 1.00 0.00 C ATOM 240 CD1 TYR A 20 5.782 7.163 0.403 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.490 5.580 0.910 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.156 7.148 -0.927 1.00 0.00 C ATOM 243 CE2 TYR A 20 7.872 5.559 -0.418 1.00 0.00 C ATOM 244 CZ TYR A 20 7.201 6.345 -1.332 1.00 0.00 C ATOM 245 OH TYR A 20 7.578 6.328 -2.656 1.00 0.00 O ATOM 0 H TYR A 20 3.705 7.095 1.950 1.00 0.00 H new ATOM 0 HA TYR A 20 4.884 4.583 2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.915 7.435 3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.824 5.962 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.964 7.794 0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.016 4.963 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.633 7.762 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.690 4.931 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 20 8.330 5.711 -2.774 1.00 0.00 H new ATOM 255 N ASP A 21 3.451 6.835 4.761 1.00 0.00 N ATOM 256 CA ASP A 21 2.972 7.131 6.106 1.00 0.00 C ATOM 257 C ASP A 21 1.884 6.146 6.524 1.00 0.00 C ATOM 258 O ASP A 21 1.821 5.729 7.681 1.00 0.00 O ATOM 259 CB ASP A 21 2.435 8.561 6.177 1.00 0.00 C ATOM 260 CG ASP A 21 1.689 8.837 7.467 1.00 0.00 C ATOM 261 OD1 ASP A 21 2.024 8.207 8.492 1.00 0.00 O ATOM 262 OD2 ASP A 21 0.768 9.681 7.452 1.00 0.00 O ATOM 0 H ASP A 21 3.074 7.445 4.036 1.00 0.00 H new ATOM 0 HA ASP A 21 3.812 7.032 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.264 9.262 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.770 8.739 5.332 1.00 0.00 H new ATOM 267 N LEU A 22 1.030 5.778 5.575 1.00 0.00 N ATOM 268 CA LEU A 22 -0.056 4.842 5.845 1.00 0.00 C ATOM 269 C LEU A 22 0.483 3.527 6.398 1.00 0.00 C ATOM 270 O LEU A 22 -0.100 2.939 7.311 1.00 0.00 O ATOM 271 CB LEU A 22 -0.859 4.581 4.569 1.00 0.00 C ATOM 272 CG LEU A 22 -1.947 5.603 4.240 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.384 6.723 3.378 1.00 0.00 C ATOM 274 CD2 LEU A 22 -3.119 4.929 3.542 1.00 0.00 C ATOM 0 H LEU A 22 1.068 6.113 4.612 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.710 5.289 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.165 4.536 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.324 3.599 4.651 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.306 6.036 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.173 7.441 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.578 7.225 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.997 6.307 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.884 5.672 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.775 4.468 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.539 4.163 4.194 1.00 0.00 H new ATOM 286 N LEU A 23 1.600 3.071 5.843 1.00 0.00 N ATOM 287 CA LEU A 23 2.220 1.825 6.282 1.00 0.00 C ATOM 288 C LEU A 23 3.213 2.080 7.411 1.00 0.00 C ATOM 289 O LEU A 23 3.226 1.367 8.413 1.00 0.00 O ATOM 290 CB LEU A 23 2.928 1.143 5.110 1.00 0.00 C ATOM 291 CG LEU A 23 2.083 0.165 4.293 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.882 0.874 3.687 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.924 -0.488 3.206 1.00 0.00 C ATOM 0 H LEU A 23 2.095 3.545 5.088 1.00 0.00 H new ATOM 0 HA LEU A 23 1.434 1.169 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.304 1.916 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.795 0.608 5.497 1.00 0.00 H new ATOM 0 HG LEU A 23 1.719 -0.616 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.293 0.162 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.267 1.293 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.225 1.676 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.306 -1.181 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.318 0.280 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.751 -1.032 3.663 1.00 0.00 H new ATOM 305 N GLY A 24 4.043 3.105 7.243 1.00 0.00 N ATOM 306 CA GLY A 24 5.027 3.438 8.256 1.00 0.00 C ATOM 307 C GLY A 24 6.437 3.073 7.838 1.00 0.00 C ATOM 308 O GLY A 24 7.326 2.934 8.678 1.00 0.00 O ATOM 0 H GLY A 24 4.051 3.711 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.979 4.506 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.780 2.919 9.182 1.00 0.00 H new ATOM 312 N VAL A 25 6.644 2.915 6.534 1.00 0.00 N ATOM 313 CA VAL A 25 7.956 2.563 6.005 1.00 0.00 C ATOM 314 C VAL A 25 8.637 3.773 5.375 1.00 0.00 C ATOM 315 O VAL A 25 7.992 4.650 4.801 1.00 0.00 O ATOM 316 CB VAL A 25 7.856 1.440 4.956 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.372 0.149 5.600 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.936 1.855 3.818 1.00 0.00 C ATOM 0 H VAL A 25 5.919 3.025 5.825 1.00 0.00 H new ATOM 0 HA VAL A 25 8.552 2.211 6.847 1.00 0.00 H new ATOM 0 HB VAL A 25 8.849 1.262 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.308 -0.633 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.073 -0.155 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.388 0.309 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.877 1.050 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.941 2.061 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.330 2.752 3.340 1.00 0.00 H new ATOM 328 N PRO A 26 9.973 3.822 5.482 1.00 0.00 N ATOM 329 CA PRO A 26 10.772 4.919 4.927 1.00 0.00 C ATOM 330 C PRO A 26 10.796 4.905 3.402 1.00 0.00 C ATOM 331 O PRO A 26 10.380 3.931 2.774 1.00 0.00 O ATOM 332 CB PRO A 26 12.172 4.657 5.487 1.00 0.00 C ATOM 333 CG PRO A 26 12.206 3.191 5.752 1.00 0.00 C ATOM 334 CD PRO A 26 10.807 2.810 6.152 1.00 0.00 C ATOM 0 HA PRO A 26 10.367 5.895 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.944 4.949 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.347 5.228 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.522 2.641 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.917 2.954 6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.556 1.801 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.678 2.835 7.234 1.00 0.00 H new ATOM 342 N SER A 27 11.287 5.990 2.813 1.00 0.00 N ATOM 343 CA SER A 27 11.363 6.104 1.361 1.00 0.00 C ATOM 344 C SER A 27 12.324 5.069 0.785 1.00 0.00 C ATOM 345 O SER A 27 12.254 4.727 -0.396 1.00 0.00 O ATOM 346 CB SER A 27 11.810 7.511 0.961 1.00 0.00 C ATOM 347 OG SER A 27 13.189 7.702 1.224 1.00 0.00 O ATOM 0 H SER A 27 11.638 6.803 3.319 1.00 0.00 H new ATOM 0 HA SER A 27 10.369 5.918 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.613 7.671 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.226 8.251 1.509 1.00 0.00 H new ATOM 0 HG SER A 27 13.450 8.608 0.958 1.00 0.00 H new ATOM 353 N THR A 28 13.225 4.573 1.628 1.00 0.00 N ATOM 354 CA THR A 28 14.202 3.578 1.204 1.00 0.00 C ATOM 355 C THR A 28 13.994 2.256 1.935 1.00 0.00 C ATOM 356 O THR A 28 14.933 1.481 2.115 1.00 0.00 O ATOM 357 CB THR A 28 15.642 4.066 1.449 1.00 0.00 C ATOM 358 OG1 THR A 28 16.575 3.161 0.848 1.00 0.00 O ATOM 359 CG2 THR A 28 15.929 4.181 2.939 1.00 0.00 C ATOM 0 H THR A 28 13.298 4.844 2.608 1.00 0.00 H new ATOM 0 HA THR A 28 14.054 3.425 0.135 1.00 0.00 H new ATOM 0 HB THR A 28 15.749 5.052 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.324 2.239 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.952 4.527 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.236 4.892 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.804 3.206 3.410 1.00 0.00 H new ATOM 367 N ALA A 29 12.758 2.005 2.354 1.00 0.00 N ATOM 368 CA ALA A 29 12.427 0.776 3.063 1.00 0.00 C ATOM 369 C ALA A 29 12.779 -0.451 2.229 1.00 0.00 C ATOM 370 O ALA A 29 13.295 -0.332 1.117 1.00 0.00 O ATOM 371 CB ALA A 29 10.950 0.760 3.430 1.00 0.00 C ATOM 0 H ALA A 29 11.970 2.637 2.214 1.00 0.00 H new ATOM 0 HA ALA A 29 13.019 0.743 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.717 -0.164 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.725 1.612 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.349 0.820 2.523 1.00 0.00 H new ATOM 377 N THR A 30 12.499 -1.632 2.772 1.00 0.00 N ATOM 378 CA THR A 30 12.788 -2.880 2.079 1.00 0.00 C ATOM 379 C THR A 30 11.531 -3.728 1.925 1.00 0.00 C ATOM 380 O THR A 30 10.574 -3.577 2.683 1.00 0.00 O ATOM 381 CB THR A 30 13.859 -3.701 2.823 1.00 0.00 C ATOM 382 OG1 THR A 30 13.387 -4.052 4.129 1.00 0.00 O ATOM 383 CG2 THR A 30 15.157 -2.917 2.942 1.00 0.00 C ATOM 0 H THR A 30 12.072 -1.749 3.691 1.00 0.00 H new ATOM 0 HA THR A 30 13.166 -2.613 1.092 1.00 0.00 H new ATOM 0 HB THR A 30 14.052 -4.608 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.072 -4.575 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.897 -3.517 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.529 -2.676 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.976 -1.995 3.494 1.00 0.00 H new ATOM 391 N GLN A 31 11.540 -4.619 0.939 1.00 0.00 N ATOM 392 CA GLN A 31 10.399 -5.490 0.686 1.00 0.00 C ATOM 393 C GLN A 31 9.862 -6.075 1.988 1.00 0.00 C ATOM 394 O GLN A 31 8.654 -6.236 2.156 1.00 0.00 O ATOM 395 CB GLN A 31 10.793 -6.618 -0.269 1.00 0.00 C ATOM 396 CG GLN A 31 9.691 -7.641 -0.490 1.00 0.00 C ATOM 397 CD GLN A 31 8.620 -7.148 -1.443 1.00 0.00 C ATOM 398 OE1 GLN A 31 7.500 -6.842 -1.032 1.00 0.00 O ATOM 399 NE2 GLN A 31 8.958 -7.068 -2.725 1.00 0.00 N ATOM 0 H GLN A 31 12.325 -4.757 0.302 1.00 0.00 H new ATOM 0 HA GLN A 31 9.613 -4.892 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.075 -6.187 -1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.674 -7.125 0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.127 -8.560 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.234 -7.889 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.897 -7.332 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.278 -6.743 -3.412 1.00 0.00 H new ATOM 408 N ALA A 32 10.768 -6.392 2.907 1.00 0.00 N ATOM 409 CA ALA A 32 10.385 -6.958 4.195 1.00 0.00 C ATOM 410 C ALA A 32 9.528 -5.980 4.991 1.00 0.00 C ATOM 411 O ALA A 32 8.543 -6.371 5.615 1.00 0.00 O ATOM 412 CB ALA A 32 11.623 -7.346 4.990 1.00 0.00 C ATOM 0 H ALA A 32 11.773 -6.266 2.784 1.00 0.00 H new ATOM 0 HA ALA A 32 9.791 -7.853 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.322 -7.767 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.196 -8.087 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.239 -6.463 5.159 1.00 0.00 H new ATOM 418 N GLN A 33 9.910 -4.707 4.964 1.00 0.00 N ATOM 419 CA GLN A 33 9.176 -3.674 5.685 1.00 0.00 C ATOM 420 C GLN A 33 7.872 -3.335 4.971 1.00 0.00 C ATOM 421 O GLN A 33 6.785 -3.588 5.491 1.00 0.00 O ATOM 422 CB GLN A 33 10.034 -2.416 5.830 1.00 0.00 C ATOM 423 CG GLN A 33 11.287 -2.627 6.664 1.00 0.00 C ATOM 424 CD GLN A 33 11.752 -1.358 7.351 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.612 -1.209 8.565 1.00 0.00 O ATOM 426 NE2 GLN A 33 12.308 -0.434 6.576 1.00 0.00 N ATOM 0 H GLN A 33 10.723 -4.367 4.451 1.00 0.00 H new ATOM 0 HA GLN A 33 8.937 -4.058 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.322 -2.067 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.434 -1.627 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.094 -3.392 7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.086 -3.003 6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.404 -0.599 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.639 0.441 6.983 1.00 0.00 H new ATOM 435 N ILE A 34 7.987 -2.761 3.778 1.00 0.00 N ATOM 436 CA ILE A 34 6.817 -2.388 2.994 1.00 0.00 C ATOM 437 C ILE A 34 5.725 -3.447 3.098 1.00 0.00 C ATOM 438 O ILE A 34 4.536 -3.129 3.135 1.00 0.00 O ATOM 439 CB ILE A 34 7.176 -2.181 1.510 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.235 -1.087 1.367 1.00 0.00 C ATOM 441 CG2 ILE A 34 5.932 -1.830 0.708 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.700 -0.877 -0.057 1.00 0.00 C ATOM 0 H ILE A 34 8.879 -2.544 3.334 1.00 0.00 H new ATOM 0 HA ILE A 34 6.449 -1.448 3.405 1.00 0.00 H new ATOM 0 HB ILE A 34 7.587 -3.111 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.831 -0.150 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.094 -1.342 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.202 -1.687 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.207 -2.640 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.494 -0.911 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.450 -0.087 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.134 -1.801 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.851 -0.591 -0.678 1.00 0.00 H new ATOM 454 N LYS A 35 6.136 -4.710 3.146 1.00 0.00 N ATOM 455 CA LYS A 35 5.194 -5.818 3.250 1.00 0.00 C ATOM 456 C LYS A 35 4.667 -5.953 4.675 1.00 0.00 C ATOM 457 O LYS A 35 3.472 -5.791 4.922 1.00 0.00 O ATOM 458 CB LYS A 35 5.863 -7.125 2.816 1.00 0.00 C ATOM 459 CG LYS A 35 4.890 -8.280 2.652 1.00 0.00 C ATOM 460 CD LYS A 35 5.618 -9.608 2.529 1.00 0.00 C ATOM 461 CE LYS A 35 4.733 -10.673 1.899 1.00 0.00 C ATOM 462 NZ LYS A 35 5.513 -11.878 1.502 1.00 0.00 N ATOM 0 H LYS A 35 7.116 -4.992 3.114 1.00 0.00 H new ATOM 0 HA LYS A 35 4.353 -5.610 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.383 -6.962 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.619 -7.399 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.214 -8.312 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.276 -8.117 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.517 -9.477 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.942 -9.939 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.953 -10.961 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.234 -10.259 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.875 -12.580 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.241 -11.608 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.969 -12.288 2.342 1.00 0.00 H new ATOM 476 N ALA A 36 5.566 -6.249 5.608 1.00 0.00 N ATOM 477 CA ALA A 36 5.191 -6.401 7.008 1.00 0.00 C ATOM 478 C ALA A 36 4.192 -5.329 7.430 1.00 0.00 C ATOM 479 O ALA A 36 3.234 -5.608 8.149 1.00 0.00 O ATOM 480 CB ALA A 36 6.428 -6.351 7.894 1.00 0.00 C ATOM 0 H ALA A 36 6.559 -6.388 5.419 1.00 0.00 H new ATOM 0 HA ALA A 36 4.711 -7.373 7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.133 -6.466 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.106 -7.158 7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.931 -5.393 7.762 1.00 0.00 H new ATOM 486 N ALA A 37 4.424 -4.101 6.977 1.00 0.00 N ATOM 487 CA ALA A 37 3.543 -2.987 7.306 1.00 0.00 C ATOM 488 C ALA A 37 2.123 -3.245 6.813 1.00 0.00 C ATOM 489 O ALA A 37 1.184 -3.315 7.605 1.00 0.00 O ATOM 490 CB ALA A 37 4.083 -1.694 6.713 1.00 0.00 C ATOM 0 H ALA A 37 5.214 -3.853 6.382 1.00 0.00 H new ATOM 0 HA ALA A 37 3.510 -2.890 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.415 -0.871 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.075 -1.494 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.146 -1.789 5.629 1.00 0.00 H new ATOM 496 N TYR A 38 1.975 -3.386 5.500 1.00 0.00 N ATOM 497 CA TYR A 38 0.668 -3.633 4.901 1.00 0.00 C ATOM 498 C TYR A 38 -0.117 -4.660 5.712 1.00 0.00 C ATOM 499 O TYR A 38 -1.334 -4.549 5.863 1.00 0.00 O ATOM 500 CB TYR A 38 0.829 -4.119 3.460 1.00 0.00 C ATOM 501 CG TYR A 38 -0.422 -4.749 2.891 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.391 -3.974 2.266 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.636 -6.119 2.978 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.536 -4.545 1.744 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.777 -6.699 2.459 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.724 -5.908 1.843 1.00 0.00 C ATOM 507 OH TYR A 38 -3.863 -6.481 1.326 1.00 0.00 O ATOM 0 H TYR A 38 2.743 -3.334 4.831 1.00 0.00 H new ATOM 0 HA TYR A 38 0.112 -2.695 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.120 -3.277 2.832 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.642 -4.844 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.247 -2.907 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.103 -6.742 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.279 -3.928 1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.927 -7.766 2.535 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.840 -7.449 1.478 1.00 0.00 H new ATOM 517 N TYR A 39 0.588 -5.658 6.231 1.00 0.00 N ATOM 518 CA TYR A 39 -0.042 -6.707 7.025 1.00 0.00 C ATOM 519 C TYR A 39 -0.673 -6.129 8.288 1.00 0.00 C ATOM 520 O TYR A 39 -1.831 -6.408 8.600 1.00 0.00 O ATOM 521 CB TYR A 39 0.984 -7.778 7.399 1.00 0.00 C ATOM 522 CG TYR A 39 1.121 -8.872 6.365 1.00 0.00 C ATOM 523 CD1 TYR A 39 0.004 -9.543 5.882 1.00 0.00 C ATOM 524 CD2 TYR A 39 2.368 -9.237 5.871 1.00 0.00 C ATOM 525 CE1 TYR A 39 0.124 -10.544 4.937 1.00 0.00 C ATOM 526 CE2 TYR A 39 2.497 -10.235 4.925 1.00 0.00 C ATOM 527 CZ TYR A 39 1.373 -10.886 4.462 1.00 0.00 C ATOM 528 OH TYR A 39 1.497 -11.882 3.521 1.00 0.00 O ATOM 0 H TYR A 39 1.596 -5.763 6.117 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.829 -7.161 6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.955 -7.304 7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.700 -8.224 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.975 -9.277 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.251 -8.732 6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.755 -11.055 4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.473 -10.504 4.550 1.00 0.00 H new ATOM 0 HH TYR A 39 0.690 -11.909 2.965 1.00 0.00 H new ATOM 538 N ARG A 40 0.096 -5.320 9.010 1.00 0.00 N ATOM 539 CA ARG A 40 -0.386 -4.702 10.239 1.00 0.00 C ATOM 540 C ARG A 40 -1.676 -3.927 9.987 1.00 0.00 C ATOM 541 O ARG A 40 -2.570 -3.900 10.834 1.00 0.00 O ATOM 542 CB ARG A 40 0.678 -3.768 10.817 1.00 0.00 C ATOM 543 CG ARG A 40 1.820 -4.498 11.504 1.00 0.00 C ATOM 544 CD ARG A 40 2.523 -3.607 12.516 1.00 0.00 C ATOM 545 NE ARG A 40 3.916 -3.998 12.716 1.00 0.00 N ATOM 546 CZ ARG A 40 4.839 -3.941 11.763 1.00 0.00 C ATOM 547 NH1 ARG A 40 4.519 -3.511 10.550 1.00 0.00 N ATOM 548 NH2 ARG A 40 6.086 -4.314 12.022 1.00 0.00 N ATOM 0 H ARG A 40 1.056 -5.077 8.765 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.593 -5.495 10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.083 -3.151 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.207 -3.093 11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.436 -5.387 12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.537 -4.838 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.482 -2.572 12.177 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.994 -3.652 13.468 1.00 0.00 H new ATOM 0 HE ARG A 40 4.195 -4.333 13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.562 -3.223 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.230 -3.468 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.336 -4.645 12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.794 -4.270 11.289 1.00 0.00 H new ATOM 562 N GLN A 41 -1.765 -3.299 8.820 1.00 0.00 N ATOM 563 CA GLN A 41 -2.945 -2.522 8.458 1.00 0.00 C ATOM 564 C GLN A 41 -4.218 -3.334 8.673 1.00 0.00 C ATOM 565 O GLN A 41 -5.119 -2.913 9.400 1.00 0.00 O ATOM 566 CB GLN A 41 -2.856 -2.068 7.000 1.00 0.00 C ATOM 567 CG GLN A 41 -1.634 -1.214 6.703 1.00 0.00 C ATOM 568 CD GLN A 41 -1.431 -0.110 7.721 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.226 0.827 7.804 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.363 -0.214 8.503 1.00 0.00 N ATOM 0 H GLN A 41 -1.034 -3.313 8.108 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.982 -1.644 9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.841 -2.946 6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.754 -1.503 6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.749 -1.849 6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.736 -0.774 5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.269 -1.008 8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.175 0.500 9.207 1.00 0.00 H new ATOM 579 N CYS A 42 -4.286 -4.498 8.037 1.00 0.00 N ATOM 580 CA CYS A 42 -5.449 -5.369 8.158 1.00 0.00 C ATOM 581 C CYS A 42 -5.764 -5.656 9.623 1.00 0.00 C ATOM 582 O CYS A 42 -6.913 -5.549 10.054 1.00 0.00 O ATOM 583 CB CYS A 42 -5.211 -6.681 7.409 1.00 0.00 C ATOM 584 SG CYS A 42 -6.582 -7.854 7.519 1.00 0.00 S ATOM 0 H CYS A 42 -3.549 -4.860 7.432 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.303 -4.856 7.715 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.021 -6.458 6.359 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.311 -7.153 7.802 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.287 -8.930 6.853 1.00 0.00 H new ATOM 590 N PHE A 43 -4.737 -6.021 10.383 1.00 0.00 N ATOM 591 CA PHE A 43 -4.905 -6.326 11.799 1.00 0.00 C ATOM 592 C PHE A 43 -5.662 -5.208 12.510 1.00 0.00 C ATOM 593 O PHE A 43 -6.675 -5.449 13.168 1.00 0.00 O ATOM 594 CB PHE A 43 -3.542 -6.536 12.462 1.00 0.00 C ATOM 595 CG PHE A 43 -3.545 -6.263 13.939 1.00 0.00 C ATOM 596 CD1 PHE A 43 -3.928 -7.246 14.837 1.00 0.00 C ATOM 597 CD2 PHE A 43 -3.165 -5.024 14.429 1.00 0.00 C ATOM 598 CE1 PHE A 43 -3.932 -6.997 16.197 1.00 0.00 C ATOM 599 CE2 PHE A 43 -3.167 -4.770 15.787 1.00 0.00 C ATOM 600 CZ PHE A 43 -3.550 -5.758 16.673 1.00 0.00 C ATOM 0 H PHE A 43 -3.780 -6.113 10.042 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.487 -7.244 11.881 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.218 -7.563 12.291 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.810 -5.887 11.982 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.227 -8.217 14.471 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.864 -4.248 13.741 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.234 -7.771 16.887 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.869 -3.799 16.156 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.551 -5.562 17.735 1.00 0.00 H new ATOM 610 N LEU A 44 -5.162 -3.984 12.375 1.00 0.00 N ATOM 611 CA LEU A 44 -5.790 -2.828 13.004 1.00 0.00 C ATOM 612 C LEU A 44 -7.297 -2.831 12.770 1.00 0.00 C ATOM 613 O LEU A 44 -8.079 -2.583 13.688 1.00 0.00 O ATOM 614 CB LEU A 44 -5.181 -1.534 12.461 1.00 0.00 C ATOM 615 CG LEU A 44 -3.862 -1.094 13.098 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.034 -0.289 12.108 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.123 -0.285 14.360 1.00 0.00 C ATOM 0 H LEU A 44 -4.324 -3.767 11.836 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.608 -2.886 14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.022 -1.653 11.389 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.908 -0.732 12.589 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.298 -1.985 13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.099 0.016 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.817 -0.901 11.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.592 0.596 11.802 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.173 0.020 14.800 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.708 0.600 14.110 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.675 -0.895 15.075 1.00 0.00 H new ATOM 629 N TYR A 45 -7.698 -3.117 11.536 1.00 0.00 N ATOM 630 CA TYR A 45 -9.112 -3.153 11.180 1.00 0.00 C ATOM 631 C TYR A 45 -9.550 -4.572 10.831 1.00 0.00 C ATOM 632 O TYR A 45 -9.671 -4.926 9.658 1.00 0.00 O ATOM 633 CB TYR A 45 -9.387 -2.218 10.002 1.00 0.00 C ATOM 634 CG TYR A 45 -8.857 -0.816 10.204 1.00 0.00 C ATOM 635 CD1 TYR A 45 -7.492 -0.573 10.284 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.723 0.265 10.315 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.003 0.706 10.470 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.243 1.548 10.499 1.00 0.00 C ATOM 639 CZ TYR A 45 -7.883 1.763 10.577 1.00 0.00 C ATOM 640 OH TYR A 45 -7.401 3.038 10.761 1.00 0.00 O ATOM 0 H TYR A 45 -7.064 -3.327 10.765 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.686 -2.817 12.043 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.940 -2.640 9.102 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.462 -2.170 9.831 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.800 -1.398 10.199 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.789 0.100 10.257 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.938 0.877 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.929 2.378 10.581 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.151 3.667 10.815 1.00 0.00 H new ATOM 650 N HIS A 46 -9.785 -5.381 11.859 1.00 0.00 N ATOM 651 CA HIS A 46 -10.212 -6.763 11.662 1.00 0.00 C ATOM 652 C HIS A 46 -11.614 -6.819 11.065 1.00 0.00 C ATOM 653 O HIS A 46 -12.498 -6.039 11.419 1.00 0.00 O ATOM 654 CB HIS A 46 -10.179 -7.522 12.989 1.00 0.00 C ATOM 655 CG HIS A 46 -9.891 -8.984 12.835 1.00 0.00 C ATOM 656 ND1 HIS A 46 -10.759 -9.970 13.256 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.825 -9.625 12.302 1.00 0.00 C ATOM 658 CE1 HIS A 46 -10.238 -11.154 12.989 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.065 -10.973 12.410 1.00 0.00 N ATOM 0 H HIS A 46 -9.687 -5.105 12.836 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.521 -7.235 10.964 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.422 -7.077 13.634 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.138 -7.400 13.492 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.949 -9.163 11.872 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.694 -12.108 13.207 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.439 -11.714 12.094 1.00 0.00 H new ATOM 667 N PRO A 47 -11.824 -7.762 10.135 1.00 0.00 N ATOM 668 CA PRO A 47 -13.117 -7.942 9.468 1.00 0.00 C ATOM 669 C PRO A 47 -14.183 -8.493 10.409 1.00 0.00 C ATOM 670 O PRO A 47 -15.378 -8.407 10.127 1.00 0.00 O ATOM 671 CB PRO A 47 -12.808 -8.953 8.361 1.00 0.00 C ATOM 672 CG PRO A 47 -11.622 -9.706 8.856 1.00 0.00 C ATOM 673 CD PRO A 47 -10.816 -8.726 9.663 1.00 0.00 C ATOM 0 HA PRO A 47 -13.521 -6.998 9.102 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.654 -9.618 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.593 -8.453 7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.927 -10.556 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.037 -10.102 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.306 -9.213 10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.049 -8.242 9.058 1.00 0.00 H new ATOM 681 N ASP A 48 -13.743 -9.058 11.528 1.00 0.00 N ATOM 682 CA ASP A 48 -14.660 -9.622 12.512 1.00 0.00 C ATOM 683 C ASP A 48 -15.266 -8.525 13.381 1.00 0.00 C ATOM 684 O ASP A 48 -16.487 -8.424 13.508 1.00 0.00 O ATOM 685 CB ASP A 48 -13.934 -10.643 13.390 1.00 0.00 C ATOM 686 CG ASP A 48 -14.867 -11.335 14.365 1.00 0.00 C ATOM 687 OD1 ASP A 48 -15.277 -10.690 15.353 1.00 0.00 O ATOM 688 OD2 ASP A 48 -15.187 -12.521 14.140 1.00 0.00 O ATOM 0 H ASP A 48 -12.757 -9.138 11.776 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.466 -10.123 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.457 -11.390 12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.140 -10.142 13.944 1.00 0.00 H new ATOM 693 N ARG A 49 -14.406 -7.706 13.977 1.00 0.00 N ATOM 694 CA ARG A 49 -14.857 -6.618 14.836 1.00 0.00 C ATOM 695 C ARG A 49 -15.654 -5.590 14.038 1.00 0.00 C ATOM 696 O ARG A 49 -16.816 -5.320 14.340 1.00 0.00 O ATOM 697 CB ARG A 49 -13.661 -5.941 15.508 1.00 0.00 C ATOM 698 CG ARG A 49 -13.220 -6.620 16.794 1.00 0.00 C ATOM 699 CD ARG A 49 -14.010 -6.113 17.991 1.00 0.00 C ATOM 700 NE ARG A 49 -13.405 -4.922 18.580 1.00 0.00 N ATOM 701 CZ ARG A 49 -12.221 -4.919 19.182 1.00 0.00 C ATOM 702 NH1 ARG A 49 -11.517 -6.039 19.272 1.00 0.00 N ATOM 703 NH2 ARG A 49 -11.737 -3.794 19.693 1.00 0.00 N ATOM 0 H ARG A 49 -13.393 -7.775 13.881 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.506 -7.040 15.604 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.824 -5.925 14.810 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.916 -4.903 15.724 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.351 -7.698 16.701 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.157 -6.440 16.956 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.031 -5.887 17.682 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.072 -6.899 18.744 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.920 -4.043 18.526 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.884 -6.905 18.878 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.608 -6.034 19.735 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.274 -2.930 19.624 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.828 -3.793 20.155 1.00 0.00 H new ATOM 717 N ASN A 50 -15.021 -5.020 13.018 1.00 0.00 N ATOM 718 CA ASN A 50 -15.671 -4.021 12.177 1.00 0.00 C ATOM 719 C ASN A 50 -16.549 -4.686 11.121 1.00 0.00 C ATOM 720 O ASN A 50 -16.525 -4.307 9.951 1.00 0.00 O ATOM 721 CB ASN A 50 -14.624 -3.134 11.500 1.00 0.00 C ATOM 722 CG ASN A 50 -13.467 -2.799 12.423 1.00 0.00 C ATOM 723 OD1 ASN A 50 -13.567 -1.904 13.262 1.00 0.00 O ATOM 724 ND2 ASN A 50 -12.361 -3.518 12.270 1.00 0.00 N ATOM 0 H ASN A 50 -14.059 -5.233 12.754 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.304 -3.403 12.814 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.243 -3.639 10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.096 -2.211 11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.550 -3.338 12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.323 -4.250 11.561 1.00 0.00 H new ATOM 731 N SER A 51 -17.322 -5.681 11.544 1.00 0.00 N ATOM 732 CA SER A 51 -18.205 -6.402 10.635 1.00 0.00 C ATOM 733 C SER A 51 -18.929 -5.437 9.701 1.00 0.00 C ATOM 734 O SER A 51 -18.947 -5.627 8.486 1.00 0.00 O ATOM 735 CB SER A 51 -19.224 -7.225 11.426 1.00 0.00 C ATOM 736 OG SER A 51 -19.715 -8.307 10.653 1.00 0.00 O ATOM 0 H SER A 51 -17.355 -6.006 12.510 1.00 0.00 H new ATOM 0 HA SER A 51 -17.595 -7.074 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.761 -7.605 12.337 1.00 0.00 H new ATOM 0 HB3 SER A 51 -20.053 -6.587 11.732 1.00 0.00 H new ATOM 0 HG SER A 51 -20.363 -8.819 11.181 1.00 0.00 H new ATOM 742 N GLY A 52 -19.526 -4.399 10.280 1.00 0.00 N ATOM 743 CA GLY A 52 -20.244 -3.419 9.486 1.00 0.00 C ATOM 744 C GLY A 52 -19.817 -1.997 9.795 1.00 0.00 C ATOM 745 O GLY A 52 -20.469 -1.301 10.573 1.00 0.00 O ATOM 0 H GLY A 52 -19.525 -4.220 11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -20.080 -3.623 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.314 -3.522 9.668 1.00 0.00 H new ATOM 749 N SER A 53 -18.717 -1.566 9.186 1.00 0.00 N ATOM 750 CA SER A 53 -18.200 -0.220 9.404 1.00 0.00 C ATOM 751 C SER A 53 -18.174 0.570 8.100 1.00 0.00 C ATOM 752 O SER A 53 -17.838 0.035 7.044 1.00 0.00 O ATOM 753 CB SER A 53 -16.794 -0.282 10.004 1.00 0.00 C ATOM 754 OG SER A 53 -16.208 1.006 10.063 1.00 0.00 O ATOM 0 H SER A 53 -18.167 -2.129 8.538 1.00 0.00 H new ATOM 0 HA SER A 53 -18.864 0.289 10.103 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.841 -0.710 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.168 -0.943 9.404 1.00 0.00 H new ATOM 0 HG SER A 53 -15.311 0.940 10.452 1.00 0.00 H new ATOM 760 N ALA A 54 -18.532 1.848 8.182 1.00 0.00 N ATOM 761 CA ALA A 54 -18.548 2.713 7.009 1.00 0.00 C ATOM 762 C ALA A 54 -17.240 3.486 6.879 1.00 0.00 C ATOM 763 O ALA A 54 -16.787 3.776 5.772 1.00 0.00 O ATOM 764 CB ALA A 54 -19.726 3.674 7.078 1.00 0.00 C ATOM 0 H ALA A 54 -18.815 2.306 9.048 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.657 2.084 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -19.726 4.314 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.656 3.107 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.641 4.290 7.973 1.00 0.00 H new ATOM 770 N GLU A 55 -16.637 3.817 8.017 1.00 0.00 N ATOM 771 CA GLU A 55 -15.382 4.558 8.029 1.00 0.00 C ATOM 772 C GLU A 55 -14.219 3.665 7.603 1.00 0.00 C ATOM 773 O GLU A 55 -13.328 4.096 6.873 1.00 0.00 O ATOM 774 CB GLU A 55 -15.115 5.131 9.423 1.00 0.00 C ATOM 775 CG GLU A 55 -15.940 6.367 9.740 1.00 0.00 C ATOM 776 CD GLU A 55 -15.893 6.737 11.210 1.00 0.00 C ATOM 777 OE1 GLU A 55 -14.881 7.326 11.642 1.00 0.00 O ATOM 778 OE2 GLU A 55 -16.870 6.438 11.928 1.00 0.00 O ATOM 0 H GLU A 55 -16.998 3.583 8.942 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.468 5.379 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.324 4.364 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.057 5.379 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.575 7.205 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.975 6.194 9.445 1.00 0.00 H new ATOM 785 N ALA A 56 -14.237 2.420 8.066 1.00 0.00 N ATOM 786 CA ALA A 56 -13.187 1.466 7.733 1.00 0.00 C ATOM 787 C ALA A 56 -13.029 1.328 6.222 1.00 0.00 C ATOM 788 O ALA A 56 -11.920 1.408 5.694 1.00 0.00 O ATOM 789 CB ALA A 56 -13.485 0.112 8.360 1.00 0.00 C ATOM 0 H ALA A 56 -14.968 2.048 8.673 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.247 1.842 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.692 -0.590 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.539 0.217 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.437 -0.262 7.983 1.00 0.00 H new ATOM 795 N ALA A 57 -14.146 1.121 5.532 1.00 0.00 N ATOM 796 CA ALA A 57 -14.131 0.973 4.082 1.00 0.00 C ATOM 797 C ALA A 57 -13.124 1.924 3.444 1.00 0.00 C ATOM 798 O ALA A 57 -12.147 1.489 2.835 1.00 0.00 O ATOM 799 CB ALA A 57 -15.522 1.215 3.513 1.00 0.00 C ATOM 0 H ALA A 57 -15.072 1.052 5.954 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.827 -0.047 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.497 1.101 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.219 0.493 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.847 2.224 3.764 1.00 0.00 H new ATOM 805 N GLU A 58 -13.370 3.223 3.586 1.00 0.00 N ATOM 806 CA GLU A 58 -12.484 4.234 3.021 1.00 0.00 C ATOM 807 C GLU A 58 -11.021 3.866 3.252 1.00 0.00 C ATOM 808 O GLU A 58 -10.260 3.681 2.303 1.00 0.00 O ATOM 809 CB GLU A 58 -12.780 5.603 3.636 1.00 0.00 C ATOM 810 CG GLU A 58 -14.166 6.132 3.306 1.00 0.00 C ATOM 811 CD GLU A 58 -14.350 6.402 1.825 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.626 7.264 1.284 1.00 0.00 O ATOM 813 OE2 GLU A 58 -15.217 5.750 1.207 1.00 0.00 O ATOM 0 H GLU A 58 -14.175 3.599 4.087 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.664 4.279 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.674 5.536 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.035 6.318 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.914 5.411 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.342 7.052 3.864 1.00 0.00 H new ATOM 820 N ARG A 59 -10.636 3.762 4.520 1.00 0.00 N ATOM 821 CA ARG A 59 -9.265 3.418 4.876 1.00 0.00 C ATOM 822 C ARG A 59 -8.774 2.227 4.059 1.00 0.00 C ATOM 823 O ARG A 59 -7.759 2.312 3.367 1.00 0.00 O ATOM 824 CB ARG A 59 -9.168 3.101 6.370 1.00 0.00 C ATOM 825 CG ARG A 59 -7.800 3.391 6.966 1.00 0.00 C ATOM 826 CD ARG A 59 -7.534 4.886 7.050 1.00 0.00 C ATOM 827 NE ARG A 59 -8.394 5.541 8.032 1.00 0.00 N ATOM 828 CZ ARG A 59 -9.595 6.031 7.747 1.00 0.00 C ATOM 829 NH1 ARG A 59 -10.076 5.941 6.514 1.00 0.00 N ATOM 830 NH2 ARG A 59 -10.318 6.613 8.695 1.00 0.00 N ATOM 0 H ARG A 59 -11.254 3.911 5.317 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.631 4.276 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.919 3.682 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.408 2.049 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.735 2.952 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.029 2.917 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.490 5.054 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.692 5.338 6.071 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.053 5.627 8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.523 5.495 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.999 6.318 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.952 6.685 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.240 6.989 8.475 1.00 0.00 H new ATOM 844 N PHE A 60 -9.499 1.117 4.146 1.00 0.00 N ATOM 845 CA PHE A 60 -9.136 -0.092 3.416 1.00 0.00 C ATOM 846 C PHE A 60 -8.727 0.239 1.984 1.00 0.00 C ATOM 847 O PHE A 60 -7.693 -0.222 1.499 1.00 0.00 O ATOM 848 CB PHE A 60 -10.305 -1.079 3.409 1.00 0.00 C ATOM 849 CG PHE A 60 -10.397 -1.909 4.658 1.00 0.00 C ATOM 850 CD1 PHE A 60 -9.327 -2.689 5.067 1.00 0.00 C ATOM 851 CD2 PHE A 60 -11.552 -1.909 5.423 1.00 0.00 C ATOM 852 CE1 PHE A 60 -9.409 -3.455 6.214 1.00 0.00 C ATOM 853 CE2 PHE A 60 -11.640 -2.672 6.572 1.00 0.00 C ATOM 854 CZ PHE A 60 -10.566 -3.445 6.969 1.00 0.00 C ATOM 0 H PHE A 60 -10.341 1.030 4.715 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.286 -0.550 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -11.236 -0.526 3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.206 -1.741 2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.419 -2.698 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.394 -1.305 5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.569 -4.061 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -12.547 -2.664 7.159 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.631 -4.040 7.868 1.00 0.00 H new ATOM 864 N THR A 61 -9.546 1.041 1.311 1.00 0.00 N ATOM 865 CA THR A 61 -9.271 1.434 -0.065 1.00 0.00 C ATOM 866 C THR A 61 -7.920 2.131 -0.179 1.00 0.00 C ATOM 867 O THR A 61 -7.097 1.775 -1.023 1.00 0.00 O ATOM 868 CB THR A 61 -10.367 2.368 -0.612 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.659 1.793 -0.388 1.00 0.00 O ATOM 870 CG2 THR A 61 -10.170 2.621 -2.099 1.00 0.00 C ATOM 0 H THR A 61 -10.406 1.431 1.697 1.00 0.00 H new ATOM 0 HA THR A 61 -9.255 0.519 -0.658 1.00 0.00 H new ATOM 0 HB THR A 61 -10.298 3.320 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.350 2.394 -0.737 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.956 3.283 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.198 3.087 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.215 1.675 -2.638 1.00 0.00 H new ATOM 878 N ARG A 62 -7.699 3.124 0.675 1.00 0.00 N ATOM 879 CA ARG A 62 -6.447 3.872 0.669 1.00 0.00 C ATOM 880 C ARG A 62 -5.261 2.948 0.933 1.00 0.00 C ATOM 881 O ARG A 62 -4.303 2.917 0.160 1.00 0.00 O ATOM 882 CB ARG A 62 -6.486 4.982 1.720 1.00 0.00 C ATOM 883 CG ARG A 62 -7.134 6.266 1.227 1.00 0.00 C ATOM 884 CD ARG A 62 -7.009 7.382 2.252 1.00 0.00 C ATOM 885 NE ARG A 62 -8.049 8.394 2.088 1.00 0.00 N ATOM 886 CZ ARG A 62 -7.970 9.396 1.219 1.00 0.00 C ATOM 887 NH1 ARG A 62 -6.906 9.519 0.439 1.00 0.00 N ATOM 888 NH2 ARG A 62 -8.959 10.277 1.130 1.00 0.00 N ATOM 0 H ARG A 62 -8.370 3.430 1.380 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.325 4.320 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.029 4.624 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.468 5.200 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.667 6.575 0.292 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.187 6.084 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.068 6.961 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.029 7.851 2.160 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.882 8.328 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.145 8.843 0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.848 10.289 -0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.780 10.185 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.898 11.046 0.463 1.00 0.00 H new ATOM 902 N ILE A 63 -5.334 2.199 2.028 1.00 0.00 N ATOM 903 CA ILE A 63 -4.267 1.275 2.392 1.00 0.00 C ATOM 904 C ILE A 63 -3.827 0.443 1.193 1.00 0.00 C ATOM 905 O ILE A 63 -2.658 0.460 0.808 1.00 0.00 O ATOM 906 CB ILE A 63 -4.704 0.330 3.527 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.040 1.131 4.787 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.613 -0.690 3.816 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.909 0.377 5.768 1.00 0.00 C ATOM 0 H ILE A 63 -6.120 2.214 2.678 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.429 1.881 2.737 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.600 -0.205 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.113 1.419 5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.547 2.052 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.936 -1.351 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.418 -1.278 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.702 -0.173 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.107 1.005 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.852 0.112 5.290 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.396 -0.530 6.086 1.00 0.00 H new ATOM 921 N SER A 64 -4.772 -0.285 0.606 1.00 0.00 N ATOM 922 CA SER A 64 -4.482 -1.126 -0.549 1.00 0.00 C ATOM 923 C SER A 64 -3.588 -0.393 -1.545 1.00 0.00 C ATOM 924 O SER A 64 -2.669 -0.978 -2.117 1.00 0.00 O ATOM 925 CB SER A 64 -5.781 -1.555 -1.233 1.00 0.00 C ATOM 926 OG SER A 64 -6.358 -0.479 -1.952 1.00 0.00 O ATOM 0 H SER A 64 -5.745 -0.309 0.912 1.00 0.00 H new ATOM 0 HA SER A 64 -3.954 -2.013 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.582 -2.384 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.487 -1.917 -0.486 1.00 0.00 H new ATOM 0 HG SER A 64 -6.543 0.262 -1.339 1.00 0.00 H new ATOM 932 N GLN A 65 -3.865 0.891 -1.745 1.00 0.00 N ATOM 933 CA GLN A 65 -3.086 1.705 -2.672 1.00 0.00 C ATOM 934 C GLN A 65 -1.610 1.703 -2.290 1.00 0.00 C ATOM 935 O GLN A 65 -0.746 1.402 -3.113 1.00 0.00 O ATOM 936 CB GLN A 65 -3.618 3.139 -2.694 1.00 0.00 C ATOM 937 CG GLN A 65 -5.124 3.227 -2.878 1.00 0.00 C ATOM 938 CD GLN A 65 -5.554 4.507 -3.567 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.775 5.454 -3.686 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.800 4.544 -4.026 1.00 0.00 N ATOM 0 H GLN A 65 -4.622 1.390 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.185 1.273 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.345 3.633 -1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.129 3.687 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.465 2.372 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.610 3.162 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.412 3.737 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.145 5.380 -4.498 1.00 0.00 H new ATOM 949 N ALA A 66 -1.328 2.041 -1.036 1.00 0.00 N ATOM 950 CA ALA A 66 0.044 2.076 -0.544 1.00 0.00 C ATOM 951 C ALA A 66 0.813 0.831 -0.972 1.00 0.00 C ATOM 952 O ALA A 66 2.023 0.882 -1.195 1.00 0.00 O ATOM 953 CB ALA A 66 0.058 2.213 0.971 1.00 0.00 C ATOM 0 H ALA A 66 -2.031 2.295 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 66 0.538 2.944 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.089 2.238 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.446 3.136 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.459 1.364 1.418 1.00 0.00 H new ATOM 959 N TYR A 67 0.104 -0.287 -1.084 1.00 0.00 N ATOM 960 CA TYR A 67 0.720 -1.547 -1.482 1.00 0.00 C ATOM 961 C TYR A 67 0.650 -1.734 -2.995 1.00 0.00 C ATOM 962 O TYR A 67 0.627 -2.859 -3.492 1.00 0.00 O ATOM 963 CB TYR A 67 0.034 -2.719 -0.779 1.00 0.00 C ATOM 964 CG TYR A 67 0.896 -3.958 -0.686 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.163 -3.905 -0.116 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.446 -5.180 -1.168 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.955 -5.033 -0.029 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.230 -6.314 -1.084 1.00 0.00 C ATOM 969 CZ TYR A 67 2.483 -6.236 -0.514 1.00 0.00 C ATOM 970 OH TYR A 67 3.268 -7.363 -0.429 1.00 0.00 O ATOM 0 H TYR A 67 -0.898 -0.346 -0.905 1.00 0.00 H new ATOM 0 HA TYR A 67 1.769 -1.519 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.254 -2.411 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.884 -2.965 -1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.534 -2.965 0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.534 -5.245 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.937 -4.974 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.864 -7.257 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 67 2.788 -8.126 -0.815 1.00 0.00 H new ATOM 980 N VAL A 68 0.616 -0.621 -3.721 1.00 0.00 N ATOM 981 CA VAL A 68 0.549 -0.660 -5.177 1.00 0.00 C ATOM 982 C VAL A 68 1.736 0.067 -5.801 1.00 0.00 C ATOM 983 O VAL A 68 2.508 -0.520 -6.559 1.00 0.00 O ATOM 984 CB VAL A 68 -0.756 -0.030 -5.697 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.738 0.062 -7.215 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.960 -0.827 -5.217 1.00 0.00 C ATOM 0 H VAL A 68 0.634 0.319 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 68 0.576 -1.710 -5.467 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.835 0.981 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.669 0.510 -7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.103 0.679 -7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.635 -0.937 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.874 -0.368 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.889 -1.850 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.980 -0.835 -4.127 1.00 0.00 H new ATOM 996 N VAL A 69 1.874 1.348 -5.476 1.00 0.00 N ATOM 997 CA VAL A 69 2.968 2.156 -6.003 1.00 0.00 C ATOM 998 C VAL A 69 4.307 1.714 -5.425 1.00 0.00 C ATOM 999 O VAL A 69 5.346 1.832 -6.075 1.00 0.00 O ATOM 1000 CB VAL A 69 2.758 3.651 -5.699 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.920 4.474 -6.234 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.439 4.134 -6.283 1.00 0.00 C ATOM 0 H VAL A 69 1.243 1.849 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 69 2.977 2.010 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 69 2.720 3.781 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.753 5.528 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.846 4.145 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.994 4.340 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.308 5.192 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.445 3.990 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.618 3.566 -5.846 1.00 0.00 H new ATOM 1012 N LEU A 70 4.275 1.204 -4.198 1.00 0.00 N ATOM 1013 CA LEU A 70 5.487 0.742 -3.530 1.00 0.00 C ATOM 1014 C LEU A 70 5.642 -0.769 -3.667 1.00 0.00 C ATOM 1015 O LEU A 70 6.755 -1.293 -3.652 1.00 0.00 O ATOM 1016 CB LEU A 70 5.457 1.131 -2.051 1.00 0.00 C ATOM 1017 CG LEU A 70 4.886 2.513 -1.732 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.335 2.549 -0.315 1.00 0.00 C ATOM 1019 CD2 LEU A 70 5.948 3.586 -1.921 1.00 0.00 C ATOM 0 H LEU A 70 3.424 1.100 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 70 6.341 1.221 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.873 0.385 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.474 1.082 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 70 4.068 2.715 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.933 3.540 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.543 1.807 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.134 2.325 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.523 4.563 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.788 3.388 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.295 3.577 -2.954 1.00 0.00 H new ATOM 1031 N GLY A 71 4.517 -1.465 -3.802 1.00 0.00 N ATOM 1032 CA GLY A 71 4.550 -2.909 -3.942 1.00 0.00 C ATOM 1033 C GLY A 71 5.743 -3.386 -4.747 1.00 0.00 C ATOM 1034 O GLY A 71 6.433 -4.325 -4.349 1.00 0.00 O ATOM 0 H GLY A 71 3.583 -1.054 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.577 -3.366 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.632 -3.245 -4.424 1.00 0.00 H new ATOM 1038 N SER A 72 5.986 -2.740 -5.882 1.00 0.00 N ATOM 1039 CA SER A 72 7.100 -3.107 -6.748 1.00 0.00 C ATOM 1040 C SER A 72 8.262 -2.133 -6.581 1.00 0.00 C ATOM 1041 O SER A 72 8.160 -0.960 -6.938 1.00 0.00 O ATOM 1042 CB SER A 72 6.650 -3.135 -8.210 1.00 0.00 C ATOM 1043 OG SER A 72 7.743 -2.913 -9.084 1.00 0.00 O ATOM 0 H SER A 72 5.426 -1.959 -6.224 1.00 0.00 H new ATOM 0 HA SER A 72 7.438 -4.102 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.191 -4.098 -8.434 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.888 -2.373 -8.374 1.00 0.00 H new ATOM 0 HG SER A 72 7.430 -2.937 -10.012 1.00 0.00 H new ATOM 1049 N ALA A 73 9.367 -2.629 -6.034 1.00 0.00 N ATOM 1050 CA ALA A 73 10.550 -1.805 -5.820 1.00 0.00 C ATOM 1051 C ALA A 73 10.704 -0.768 -6.928 1.00 0.00 C ATOM 1052 O ALA A 73 10.764 0.434 -6.664 1.00 0.00 O ATOM 1053 CB ALA A 73 11.794 -2.677 -5.735 1.00 0.00 C ATOM 0 H ALA A 73 9.467 -3.598 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 73 10.427 -1.275 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.669 -2.047 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.693 -3.375 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.912 -3.234 -6.665 1.00 0.00 H new ATOM 1059 N THR A 74 10.768 -1.239 -8.169 1.00 0.00 N ATOM 1060 CA THR A 74 10.917 -0.353 -9.317 1.00 0.00 C ATOM 1061 C THR A 74 10.032 0.880 -9.177 1.00 0.00 C ATOM 1062 O THR A 74 10.527 2.004 -9.076 1.00 0.00 O ATOM 1063 CB THR A 74 10.569 -1.075 -10.632 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.459 -2.178 -10.837 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.657 -0.120 -11.813 1.00 0.00 C ATOM 0 H THR A 74 10.719 -2.230 -8.405 1.00 0.00 H new ATOM 0 HA THR A 74 11.962 -0.045 -9.346 1.00 0.00 H new ATOM 0 HB THR A 74 9.546 -1.444 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.229 -2.632 -11.674 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.407 -0.652 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.957 0.703 -11.669 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.670 0.275 -11.887 1.00 0.00 H new ATOM 1073 N LEU A 75 8.721 0.665 -9.171 1.00 0.00 N ATOM 1074 CA LEU A 75 7.767 1.760 -9.043 1.00 0.00 C ATOM 1075 C LEU A 75 8.257 2.795 -8.036 1.00 0.00 C ATOM 1076 O LEU A 75 8.389 3.976 -8.358 1.00 0.00 O ATOM 1077 CB LEU A 75 6.399 1.223 -8.616 1.00 0.00 C ATOM 1078 CG LEU A 75 5.751 0.210 -9.559 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.421 -0.268 -8.997 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.561 0.815 -10.943 1.00 0.00 C ATOM 0 H LEU A 75 8.295 -0.258 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 75 7.674 2.243 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.503 0.761 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.720 2.068 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 75 6.414 -0.650 -9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.974 -0.989 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.584 -0.741 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.750 0.583 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.098 0.080 -11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.919 1.693 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.530 1.107 -11.349 1.00 0.00 H new ATOM 1092 N ARG A 76 8.527 2.343 -6.815 1.00 0.00 N ATOM 1093 CA ARG A 76 9.004 3.230 -5.761 1.00 0.00 C ATOM 1094 C ARG A 76 10.076 4.178 -6.291 1.00 0.00 C ATOM 1095 O ARG A 76 9.898 5.396 -6.290 1.00 0.00 O ATOM 1096 CB ARG A 76 9.562 2.415 -4.593 1.00 0.00 C ATOM 1097 CG ARG A 76 9.574 3.170 -3.274 1.00 0.00 C ATOM 1098 CD ARG A 76 10.014 2.277 -2.125 1.00 0.00 C ATOM 1099 NE ARG A 76 11.463 2.094 -2.098 1.00 0.00 N ATOM 1100 CZ ARG A 76 12.102 1.177 -2.815 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.423 0.362 -3.611 1.00 0.00 N ATOM 1102 NH2 ARG A 76 13.422 1.072 -2.736 1.00 0.00 N ATOM 0 H ARG A 76 8.424 1.369 -6.532 1.00 0.00 H new ATOM 0 HA ARG A 76 8.159 3.823 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.968 1.508 -4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.578 2.102 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.246 4.025 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.578 3.564 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.686 2.713 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.528 1.306 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 76 12.015 2.704 -1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.408 0.439 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.916 -0.342 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.948 1.696 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.911 0.367 -3.287 1.00 0.00 H new ATOM 1116 N ARG A 77 11.190 3.610 -6.743 1.00 0.00 N ATOM 1117 CA ARG A 77 12.291 4.404 -7.274 1.00 0.00 C ATOM 1118 C ARG A 77 11.781 5.445 -8.267 1.00 0.00 C ATOM 1119 O ARG A 77 12.133 6.622 -8.184 1.00 0.00 O ATOM 1120 CB ARG A 77 13.320 3.498 -7.953 1.00 0.00 C ATOM 1121 CG ARG A 77 14.000 2.529 -7.000 1.00 0.00 C ATOM 1122 CD ARG A 77 14.434 1.258 -7.713 1.00 0.00 C ATOM 1123 NE ARG A 77 15.627 1.468 -8.529 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.375 0.479 -9.005 1.00 0.00 C ATOM 1125 NH1 ARG A 77 16.055 -0.782 -8.748 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.446 0.750 -9.740 1.00 0.00 N ATOM 0 H ARG A 77 11.353 2.603 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 77 12.766 4.923 -6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.828 2.932 -8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.079 4.118 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.869 3.009 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.318 2.277 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.631 0.479 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.621 0.901 -8.345 1.00 0.00 H new ATOM 0 HE ARG A 77 15.901 2.427 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.233 -0.995 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.631 -1.539 -9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.696 1.719 -9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.020 -0.010 -10.105 1.00 0.00 H new ATOM 1140 N LYS A 78 10.951 5.003 -9.206 1.00 0.00 N ATOM 1141 CA LYS A 78 10.392 5.895 -10.215 1.00 0.00 C ATOM 1142 C LYS A 78 9.759 7.121 -9.566 1.00 0.00 C ATOM 1143 O LYS A 78 10.162 8.254 -9.832 1.00 0.00 O ATOM 1144 CB LYS A 78 9.350 5.155 -11.057 1.00 0.00 C ATOM 1145 CG LYS A 78 9.884 3.896 -11.717 1.00 0.00 C ATOM 1146 CD LYS A 78 8.844 3.258 -12.624 1.00 0.00 C ATOM 1147 CE LYS A 78 8.744 3.987 -13.955 1.00 0.00 C ATOM 1148 NZ LYS A 78 7.542 3.567 -14.727 1.00 0.00 N ATOM 0 H LYS A 78 10.651 4.032 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 78 11.204 6.227 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.503 4.892 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.974 5.828 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.775 4.138 -12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.187 3.183 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.103 2.214 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.873 3.267 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.705 5.062 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.640 3.793 -14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.509 4.086 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.591 2.546 -14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.685 3.776 -14.176 1.00 0.00 H new ATOM 1162 N TYR A 79 8.768 6.889 -8.713 1.00 0.00 N ATOM 1163 CA TYR A 79 8.079 7.975 -8.027 1.00 0.00 C ATOM 1164 C TYR A 79 9.075 8.908 -7.346 1.00 0.00 C ATOM 1165 O TYR A 79 8.994 10.129 -7.482 1.00 0.00 O ATOM 1166 CB TYR A 79 7.100 7.414 -6.994 1.00 0.00 C ATOM 1167 CG TYR A 79 6.142 8.447 -6.444 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.098 8.937 -7.219 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.282 8.934 -5.150 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.221 9.882 -6.721 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.409 9.877 -4.643 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.380 10.348 -5.433 1.00 0.00 C ATOM 1173 OH TYR A 79 3.509 11.288 -4.933 1.00 0.00 O ATOM 0 H TYR A 79 8.424 5.958 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 79 7.524 8.546 -8.771 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.528 6.606 -7.450 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.665 6.979 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.970 8.573 -8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.087 8.569 -4.530 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.416 10.253 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.531 10.243 -3.634 1.00 0.00 H new ATOM 0 HH TYR A 79 2.631 11.177 -5.354 1.00 0.00 H new ATOM 1183 N ASP A 80 10.016 8.324 -6.612 1.00 0.00 N ATOM 1184 CA ASP A 80 11.031 9.101 -5.910 1.00 0.00 C ATOM 1185 C ASP A 80 11.609 10.184 -6.816 1.00 0.00 C ATOM 1186 O ASP A 80 11.800 11.324 -6.392 1.00 0.00 O ATOM 1187 CB ASP A 80 12.151 8.185 -5.411 1.00 0.00 C ATOM 1188 CG ASP A 80 11.843 7.580 -4.056 1.00 0.00 C ATOM 1189 OD1 ASP A 80 10.808 6.893 -3.935 1.00 0.00 O ATOM 1190 OD2 ASP A 80 12.637 7.795 -3.116 1.00 0.00 O ATOM 0 H ASP A 80 10.097 7.315 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 80 10.557 9.582 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.312 7.386 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.080 8.752 -5.350 1.00 0.00 H new ATOM 1195 N ARG A 81 11.885 9.820 -8.064 1.00 0.00 N ATOM 1196 CA ARG A 81 12.443 10.760 -9.028 1.00 0.00 C ATOM 1197 C ARG A 81 11.338 11.415 -9.851 1.00 0.00 C ATOM 1198 O ARG A 81 11.564 12.417 -10.529 1.00 0.00 O ATOM 1199 CB ARG A 81 13.429 10.047 -9.956 1.00 0.00 C ATOM 1200 CG ARG A 81 14.204 8.929 -9.277 1.00 0.00 C ATOM 1201 CD ARG A 81 15.207 9.476 -8.274 1.00 0.00 C ATOM 1202 NE ARG A 81 16.200 10.339 -8.907 1.00 0.00 N ATOM 1203 CZ ARG A 81 17.196 9.885 -9.660 1.00 0.00 C ATOM 1204 NH1 ARG A 81 17.330 8.583 -9.872 1.00 0.00 N ATOM 1205 NH2 ARG A 81 18.059 10.734 -10.202 1.00 0.00 N ATOM 0 H ARG A 81 11.731 8.881 -8.431 1.00 0.00 H new ATOM 0 HA ARG A 81 12.971 11.537 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.883 9.636 -10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.134 10.777 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.509 8.259 -8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.726 8.337 -10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.679 10.036 -7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.711 8.647 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 81 16.125 11.346 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.668 7.928 -9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.095 8.237 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.958 11.736 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.823 10.385 -10.780 1.00 0.00 H new ATOM 1219 N GLY A 82 10.139 10.842 -9.786 1.00 0.00 N ATOM 1220 CA GLY A 82 9.017 11.384 -10.529 1.00 0.00 C ATOM 1221 C GLY A 82 8.894 10.780 -11.914 1.00 0.00 C ATOM 1222 O GLY A 82 8.226 11.338 -12.786 1.00 0.00 O ATOM 0 H GLY A 82 9.926 10.013 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.096 11.204 -9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.130 12.465 -10.616 1.00 0.00 H new ATOM 1226 N LEU A 83 9.541 9.639 -12.120 1.00 0.00 N ATOM 1227 CA LEU A 83 9.503 8.959 -13.410 1.00 0.00 C ATOM 1228 C LEU A 83 8.184 8.214 -13.595 1.00 0.00 C ATOM 1229 O LEU A 83 7.878 7.734 -14.687 1.00 0.00 O ATOM 1230 CB LEU A 83 10.674 7.983 -13.530 1.00 0.00 C ATOM 1231 CG LEU A 83 12.071 8.590 -13.394 1.00 0.00 C ATOM 1232 CD1 LEU A 83 13.040 7.575 -12.809 1.00 0.00 C ATOM 1233 CD2 LEU A 83 12.568 9.090 -14.743 1.00 0.00 C ATOM 0 H LEU A 83 10.099 9.165 -11.410 1.00 0.00 H new ATOM 0 HA LEU A 83 9.586 9.713 -14.192 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.559 7.213 -12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.609 7.486 -14.498 1.00 0.00 H new ATOM 0 HG LEU A 83 12.013 9.439 -12.713 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.029 8.025 -12.720 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.692 7.266 -11.823 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.095 6.705 -13.464 1.00 0.00 H new ATOM 0 HD21 LEU A 83 13.563 9.519 -14.628 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.610 8.258 -15.446 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.887 9.851 -15.122 1.00 0.00 H new ATOM 1245 N LEU A 84 7.407 8.125 -12.522 1.00 0.00 N ATOM 1246 CA LEU A 84 6.119 7.440 -12.565 1.00 0.00 C ATOM 1247 C LEU A 84 5.032 8.360 -13.113 1.00 0.00 C ATOM 1248 O LEU A 84 5.076 9.574 -12.917 1.00 0.00 O ATOM 1249 CB LEU A 84 5.732 6.950 -11.168 1.00 0.00 C ATOM 1250 CG LEU A 84 4.519 6.023 -11.095 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.942 4.574 -11.276 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.788 6.205 -9.772 1.00 0.00 C ATOM 0 H LEU A 84 7.645 8.518 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 84 6.213 6.582 -13.230 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.588 6.430 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.538 7.820 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 84 3.837 6.285 -11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.065 3.929 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.421 4.453 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.644 4.299 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.927 5.537 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.462 5.971 -8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.450 7.237 -9.682 1.00 0.00 H new ATOM 1264 N SER A 85 4.056 7.772 -13.798 1.00 0.00 N ATOM 1265 CA SER A 85 2.959 8.538 -14.375 1.00 0.00 C ATOM 1266 C SER A 85 1.611 7.977 -13.931 1.00 0.00 C ATOM 1267 O SER A 85 1.511 6.817 -13.530 1.00 0.00 O ATOM 1268 CB SER A 85 3.049 8.528 -15.902 1.00 0.00 C ATOM 1269 OG SER A 85 2.315 9.602 -16.464 1.00 0.00 O ATOM 0 H SER A 85 4.003 6.767 -13.967 1.00 0.00 H new ATOM 0 HA SER A 85 3.041 9.565 -14.020 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.093 8.597 -16.208 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.667 7.582 -16.286 1.00 0.00 H new ATOM 0 HG SER A 85 2.390 9.574 -17.441 1.00 0.00 H new ATOM 1275 N ASP A 86 0.578 8.808 -14.004 1.00 0.00 N ATOM 1276 CA ASP A 86 -0.764 8.396 -13.610 1.00 0.00 C ATOM 1277 C ASP A 86 -1.112 7.036 -14.208 1.00 0.00 C ATOM 1278 O ASP A 86 -1.797 6.229 -13.580 1.00 0.00 O ATOM 1279 CB ASP A 86 -1.792 9.439 -14.053 1.00 0.00 C ATOM 1280 CG ASP A 86 -1.478 10.823 -13.519 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -1.219 10.946 -12.304 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -1.491 11.783 -14.318 1.00 0.00 O ATOM 0 H ASP A 86 0.644 9.771 -14.332 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.787 8.313 -12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.826 9.472 -15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.782 9.137 -13.712 1.00 0.00 H new ATOM 1287 N GLU A 87 -0.637 6.790 -15.424 1.00 0.00 N ATOM 1288 CA GLU A 87 -0.900 5.529 -16.106 1.00 0.00 C ATOM 1289 C GLU A 87 -0.779 4.353 -15.141 1.00 0.00 C ATOM 1290 O GLU A 87 -1.497 3.360 -15.262 1.00 0.00 O ATOM 1291 CB GLU A 87 0.069 5.344 -17.276 1.00 0.00 C ATOM 1292 CG GLU A 87 -0.273 4.163 -18.169 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.214 4.537 -19.297 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -0.777 5.252 -20.223 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -2.389 4.116 -19.253 1.00 0.00 O ATOM 0 H GLU A 87 -0.068 7.447 -15.957 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.920 5.559 -16.489 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.077 6.253 -17.877 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.078 5.212 -16.884 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.645 3.752 -18.588 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.728 3.377 -17.567 1.00 0.00 H new ATOM 1302 N ASP A 88 0.134 4.473 -14.184 1.00 0.00 N ATOM 1303 CA ASP A 88 0.350 3.421 -13.197 1.00 0.00 C ATOM 1304 C ASP A 88 -0.775 3.404 -12.166 1.00 0.00 C ATOM 1305 O ASP A 88 -1.418 2.376 -11.950 1.00 0.00 O ATOM 1306 CB ASP A 88 1.696 3.617 -12.497 1.00 0.00 C ATOM 1307 CG ASP A 88 2.157 2.369 -11.770 1.00 0.00 C ATOM 1308 OD1 ASP A 88 1.906 1.258 -12.281 1.00 0.00 O ATOM 1309 OD2 ASP A 88 2.768 2.504 -10.689 1.00 0.00 O ATOM 0 H ASP A 88 0.737 5.288 -14.070 1.00 0.00 H new ATOM 0 HA ASP A 88 0.356 2.464 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.447 3.903 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.616 4.440 -11.786 1.00 0.00 H new ATOM 1314 N LEU A 89 -1.007 4.548 -11.532 1.00 0.00 N ATOM 1315 CA LEU A 89 -2.053 4.665 -10.522 1.00 0.00 C ATOM 1316 C LEU A 89 -3.356 4.043 -11.014 1.00 0.00 C ATOM 1317 O LEU A 89 -3.972 3.236 -10.318 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.281 6.134 -10.163 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.133 6.832 -9.433 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.366 8.334 -9.383 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -0.973 6.269 -8.028 1.00 0.00 C ATOM 0 H LEU A 89 -0.485 5.408 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.727 4.126 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.489 6.684 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.174 6.201 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.212 6.646 -9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.539 8.813 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.429 8.726 -10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.297 8.540 -8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.151 6.778 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.895 6.424 -7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.758 5.202 -8.086 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.769 4.421 -12.220 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.998 3.900 -12.805 1.00 0.00 C ATOM 1335 C ARG A 90 -4.808 2.460 -13.276 1.00 0.00 C ATOM 1336 O ARG A 90 -5.765 1.692 -13.357 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.441 4.776 -13.978 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.489 4.737 -15.162 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.212 5.023 -16.469 1.00 0.00 C ATOM 1340 NE ARG A 90 -5.737 6.385 -16.516 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.363 6.895 -17.571 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.540 6.160 -18.660 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -6.812 8.143 -17.538 1.00 0.00 N ATOM 0 H ARG A 90 -3.270 5.086 -12.811 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.771 3.915 -12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.429 4.455 -14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.538 5.806 -13.635 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.695 5.470 -15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.013 3.758 -15.215 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.528 4.869 -17.303 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.031 4.314 -16.593 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.616 6.977 -15.694 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.195 5.200 -18.689 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.021 6.554 -19.469 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.677 8.712 -16.702 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.292 8.534 -18.348 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.565 2.103 -13.585 1.00 0.00 N ATOM 1358 CA GLY A 91 -3.272 0.758 -14.044 1.00 0.00 C ATOM 1359 C GLY A 91 -4.163 0.330 -15.192 1.00 0.00 C ATOM 1360 O GLY A 91 -4.731 1.157 -15.907 1.00 0.00 O ATOM 0 H GLY A 91 -2.756 2.721 -13.526 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.230 0.704 -14.358 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.392 0.060 -13.215 1.00 0.00 H new ATOM 1364 N PRO A 92 -4.295 -0.991 -15.384 1.00 0.00 N ATOM 1365 CA PRO A 92 -5.121 -1.557 -16.454 1.00 0.00 C ATOM 1366 C PRO A 92 -6.611 -1.345 -16.209 1.00 0.00 C ATOM 1367 O PRO A 92 -7.006 -0.718 -15.227 1.00 0.00 O ATOM 1368 CB PRO A 92 -4.780 -3.048 -16.415 1.00 0.00 C ATOM 1369 CG PRO A 92 -4.329 -3.297 -15.017 1.00 0.00 C ATOM 1370 CD PRO A 92 -3.647 -2.033 -14.571 1.00 0.00 C ATOM 0 HA PRO A 92 -4.921 -1.085 -17.416 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.647 -3.659 -16.666 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.998 -3.294 -17.133 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.174 -3.534 -14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.646 -4.146 -14.972 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.787 -1.856 -13.505 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.572 -2.072 -14.749 1.00 0.00 H new ATOM 1378 N GLY A 93 -7.436 -1.873 -17.109 1.00 0.00 N ATOM 1379 CA GLY A 93 -8.873 -1.731 -16.972 1.00 0.00 C ATOM 1380 C GLY A 93 -9.579 -1.656 -18.311 1.00 0.00 C ATOM 1381 O GLY A 93 -8.935 -1.564 -19.356 1.00 0.00 O ATOM 0 H GLY A 93 -7.134 -2.397 -17.931 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.266 -2.575 -16.405 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.093 -0.831 -16.398 1.00 0.00 H new ATOM 1385 N SER A 94 -10.907 -1.697 -18.282 1.00 0.00 N ATOM 1386 CA SER A 94 -11.701 -1.639 -19.503 1.00 0.00 C ATOM 1387 C SER A 94 -11.475 -0.320 -20.236 1.00 0.00 C ATOM 1388 O SER A 94 -12.079 0.699 -19.903 1.00 0.00 O ATOM 1389 CB SER A 94 -13.187 -1.808 -19.180 1.00 0.00 C ATOM 1390 OG SER A 94 -13.453 -3.101 -18.663 1.00 0.00 O ATOM 0 H SER A 94 -11.456 -1.770 -17.425 1.00 0.00 H new ATOM 0 HA SER A 94 -11.383 -2.455 -20.152 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.493 -1.053 -18.456 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.779 -1.644 -20.080 1.00 0.00 H new ATOM 0 HG SER A 94 -14.409 -3.183 -18.463 1.00 0.00 H new ATOM 1396 N GLY A 95 -10.600 -0.348 -21.236 1.00 0.00 N ATOM 1397 CA GLY A 95 -10.309 0.851 -22.000 1.00 0.00 C ATOM 1398 C GLY A 95 -10.703 0.719 -23.458 1.00 0.00 C ATOM 1399 O GLY A 95 -11.540 -0.105 -23.825 1.00 0.00 O ATOM 0 H GLY A 95 -10.088 -1.179 -21.531 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.837 1.696 -21.559 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.244 1.071 -21.933 1.00 0.00 H new ATOM 1403 N PRO A 96 -10.091 1.548 -24.318 1.00 0.00 N ATOM 1404 CA PRO A 96 -10.367 1.540 -25.757 1.00 0.00 C ATOM 1405 C PRO A 96 -9.841 0.283 -26.442 1.00 0.00 C ATOM 1406 O PRO A 96 -8.738 -0.178 -26.150 1.00 0.00 O ATOM 1407 CB PRO A 96 -9.625 2.778 -26.268 1.00 0.00 C ATOM 1408 CG PRO A 96 -8.534 3.000 -25.278 1.00 0.00 C ATOM 1409 CD PRO A 96 -9.082 2.556 -23.950 1.00 0.00 C ATOM 0 HA PRO A 96 -11.437 1.551 -25.966 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.225 2.615 -27.269 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.288 3.641 -26.327 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.644 2.429 -25.543 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.242 4.050 -25.248 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.304 2.133 -23.315 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.525 3.386 -23.400 1.00 0.00 H new ATOM 1417 N SER A 97 -10.637 -0.265 -27.355 1.00 0.00 N ATOM 1418 CA SER A 97 -10.252 -1.471 -28.079 1.00 0.00 C ATOM 1419 C SER A 97 -10.117 -1.188 -29.572 1.00 0.00 C ATOM 1420 O SER A 97 -10.860 -0.383 -30.132 1.00 0.00 O ATOM 1421 CB SER A 97 -11.280 -2.580 -27.849 1.00 0.00 C ATOM 1422 OG SER A 97 -12.526 -2.250 -28.439 1.00 0.00 O ATOM 0 H SER A 97 -11.552 0.107 -27.611 1.00 0.00 H new ATOM 0 HA SER A 97 -9.284 -1.799 -27.700 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.911 -3.515 -28.270 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.412 -2.742 -26.779 1.00 0.00 H new ATOM 0 HG SER A 97 -13.166 -2.975 -28.280 1.00 0.00 H new ATOM 1428 N SER A 98 -9.161 -1.857 -30.210 1.00 0.00 N ATOM 1429 CA SER A 98 -8.925 -1.675 -31.638 1.00 0.00 C ATOM 1430 C SER A 98 -10.206 -1.906 -32.434 1.00 0.00 C ATOM 1431 O SER A 98 -11.227 -2.314 -31.883 1.00 0.00 O ATOM 1432 CB SER A 98 -7.832 -2.631 -32.120 1.00 0.00 C ATOM 1433 OG SER A 98 -6.545 -2.063 -31.946 1.00 0.00 O ATOM 0 H SER A 98 -8.538 -2.529 -29.761 1.00 0.00 H new ATOM 0 HA SER A 98 -8.598 -0.648 -31.800 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.896 -3.569 -31.569 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.989 -2.868 -33.172 1.00 0.00 H new ATOM 0 HG SER A 98 -5.864 -2.694 -32.260 1.00 0.00 H new ATOM 1439 N GLY A 99 -10.142 -1.642 -33.736 1.00 0.00 N ATOM 1440 CA GLY A 99 -11.302 -1.826 -34.588 1.00 0.00 C ATOM 1441 C GLY A 99 -12.075 -0.540 -34.800 1.00 0.00 C ATOM 1442 O GLY A 99 -13.056 -0.275 -34.106 1.00 0.00 O ATOM 0 H GLY A 99 -9.307 -1.304 -34.215 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.981 -2.217 -35.554 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.960 -2.573 -34.144 1.00 0.00 H new TER 1446 GLY A 99