USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 721 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 20 SER OG : rot -43:sc= 0.623 USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 23 CYS SG : rot 180:sc= -0.974 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0905 (180deg=0) USER MOD Single : A 2 SER OG : rot 12:sc= 0.215 USER MOD Single : A 3 SER OG : rot 34:sc= 0.0453 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 10 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 11 CYS SG : rot -140:sc= -1.42 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 42:sc= 0.203 USER MOD Single : A 25 GLN : amide:sc= -2.17! X(o=-2.2!,f=-1.7) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.58 F(o=-2.6!,f=-1.6) USER MOD Single : A 33 SER OG : rot 137:sc= 1.28 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 41 TYR OH : rot 30:sc= -0.62 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 155:sc= -1.72! (180deg=-1.96!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 55 CYS SG : rot -32:sc= 0.358 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 36:sc= 0.0576 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 50:sc= 0.398 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 22:sc= 0.256 USER MOD Single : A 79 GLN : amide:sc= -1.79 K(o=-1.8,f=-4!) USER MOD Single : A 82 SER OG : rot -29:sc= 1.33 USER MOD Single : A 90 SER OG : rot 170:sc= 0 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.876 USER MOD Single : A 97 THR OG1 : rot -168:sc= 0.948 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 41:sc= 0.436 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.417 -26.354 8.564 1.00 0.00 N ATOM 2 CA GLY A 1 -6.355 -25.455 7.918 1.00 0.00 C ATOM 3 C GLY A 1 -7.616 -26.162 7.463 1.00 0.00 C ATOM 4 O GLY A 1 -7.695 -27.390 7.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.309 -26.084 9.563 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.774 -27.329 8.506 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.494 -26.294 8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.620 -24.654 8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.873 -24.989 7.059 1.00 0.00 H new ATOM 8 N SER A 2 -8.608 -25.385 7.039 1.00 0.00 N ATOM 9 CA SER A 2 -9.875 -25.944 6.582 1.00 0.00 C ATOM 10 C SER A 2 -10.488 -25.074 5.488 1.00 0.00 C ATOM 11 O SER A 2 -10.734 -23.885 5.690 1.00 0.00 O ATOM 12 CB SER A 2 -10.851 -26.075 7.751 1.00 0.00 C ATOM 13 OG SER A 2 -10.557 -27.220 8.535 1.00 0.00 O ATOM 0 H SER A 2 -8.559 -24.367 7.003 1.00 0.00 H new ATOM 0 HA SER A 2 -9.680 -26.934 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.800 -25.181 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.871 -26.142 7.372 1.00 0.00 H new ATOM 0 HG SER A 2 -9.679 -27.574 8.281 1.00 0.00 H new ATOM 19 N SER A 3 -10.733 -25.677 4.329 1.00 0.00 N ATOM 20 CA SER A 3 -11.314 -24.958 3.201 1.00 0.00 C ATOM 21 C SER A 3 -12.705 -24.436 3.548 1.00 0.00 C ATOM 22 O SER A 3 -13.557 -25.181 4.029 1.00 0.00 O ATOM 23 CB SER A 3 -11.390 -25.868 1.974 1.00 0.00 C ATOM 24 OG SER A 3 -12.075 -27.071 2.273 1.00 0.00 O ATOM 0 H SER A 3 -10.538 -26.661 4.146 1.00 0.00 H new ATOM 0 HA SER A 3 -10.672 -24.107 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.899 -25.348 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.383 -26.096 1.624 1.00 0.00 H new ATOM 0 HG SER A 3 -12.778 -26.892 2.931 1.00 0.00 H new ATOM 30 N GLY A 4 -12.927 -23.149 3.300 1.00 0.00 N ATOM 31 CA GLY A 4 -14.215 -22.548 3.591 1.00 0.00 C ATOM 32 C GLY A 4 -14.097 -21.332 4.489 1.00 0.00 C ATOM 33 O GLY A 4 -14.796 -21.226 5.497 1.00 0.00 O ATOM 0 H GLY A 4 -12.237 -22.512 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.698 -22.261 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.858 -23.287 4.068 1.00 0.00 H new ATOM 37 N SER A 5 -13.209 -20.413 4.125 1.00 0.00 N ATOM 38 CA SER A 5 -12.998 -19.201 4.908 1.00 0.00 C ATOM 39 C SER A 5 -13.809 -18.039 4.340 1.00 0.00 C ATOM 40 O SER A 5 -13.899 -17.866 3.125 1.00 0.00 O ATOM 41 CB SER A 5 -11.512 -18.837 4.932 1.00 0.00 C ATOM 42 OG SER A 5 -11.180 -18.130 6.114 1.00 0.00 O ATOM 0 H SER A 5 -12.624 -20.484 3.293 1.00 0.00 H new ATOM 0 HA SER A 5 -13.335 -19.393 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.911 -19.744 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.269 -18.229 4.060 1.00 0.00 H new ATOM 0 HG SER A 5 -10.225 -17.910 6.106 1.00 0.00 H new ATOM 48 N SER A 6 -14.398 -17.247 5.231 1.00 0.00 N ATOM 49 CA SER A 6 -15.204 -16.104 4.820 1.00 0.00 C ATOM 50 C SER A 6 -14.318 -14.931 4.414 1.00 0.00 C ATOM 51 O SER A 6 -13.759 -14.237 5.263 1.00 0.00 O ATOM 52 CB SER A 6 -16.142 -15.682 5.954 1.00 0.00 C ATOM 53 OG SER A 6 -17.369 -16.387 5.890 1.00 0.00 O ATOM 0 H SER A 6 -14.332 -17.376 6.241 1.00 0.00 H new ATOM 0 HA SER A 6 -15.799 -16.402 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.662 -15.867 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.331 -14.610 5.894 1.00 0.00 H new ATOM 0 HG SER A 6 -17.950 -16.101 6.626 1.00 0.00 H new ATOM 59 N GLY A 7 -14.195 -14.714 3.108 1.00 0.00 N ATOM 60 CA GLY A 7 -13.376 -13.624 2.611 1.00 0.00 C ATOM 61 C GLY A 7 -12.257 -14.105 1.708 1.00 0.00 C ATOM 62 O GLY A 7 -11.956 -15.297 1.637 1.00 0.00 O ATOM 0 H GLY A 7 -14.648 -15.274 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.004 -12.922 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.950 -13.080 3.454 1.00 0.00 H new ATOM 66 N PRO A 8 -11.623 -13.164 0.992 1.00 0.00 N ATOM 67 CA PRO A 8 -10.522 -13.476 0.074 1.00 0.00 C ATOM 68 C PRO A 8 -9.259 -13.908 0.810 1.00 0.00 C ATOM 69 O PRO A 8 -9.237 -13.975 2.039 1.00 0.00 O ATOM 70 CB PRO A 8 -10.288 -12.152 -0.659 1.00 0.00 C ATOM 71 CG PRO A 8 -10.778 -11.106 0.281 1.00 0.00 C ATOM 72 CD PRO A 8 -11.930 -11.724 1.026 1.00 0.00 C ATOM 0 HA PRO A 8 -10.764 -14.309 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.233 -12.011 -0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.831 -12.121 -1.603 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.989 -10.798 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.096 -10.214 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.995 -11.351 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.884 -11.505 0.546 1.00 0.00 H new ATOM 80 N ASP A 9 -8.209 -14.201 0.051 1.00 0.00 N ATOM 81 CA ASP A 9 -6.941 -14.625 0.631 1.00 0.00 C ATOM 82 C ASP A 9 -6.075 -13.421 0.986 1.00 0.00 C ATOM 83 O ASP A 9 -6.294 -12.319 0.485 1.00 0.00 O ATOM 84 CB ASP A 9 -6.192 -15.538 -0.342 1.00 0.00 C ATOM 85 CG ASP A 9 -5.295 -16.531 0.371 1.00 0.00 C ATOM 86 OD1 ASP A 9 -4.885 -16.247 1.516 1.00 0.00 O ATOM 87 OD2 ASP A 9 -5.005 -17.595 -0.215 1.00 0.00 O ATOM 0 H ASP A 9 -8.211 -14.153 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.155 -15.178 1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.912 -16.079 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.591 -14.929 -1.017 1.00 0.00 H new ATOM 92 N GLN A 10 -5.092 -13.640 1.854 1.00 0.00 N ATOM 93 CA GLN A 10 -4.195 -12.572 2.277 1.00 0.00 C ATOM 94 C GLN A 10 -3.766 -11.717 1.089 1.00 0.00 C ATOM 95 O GLN A 10 -3.778 -12.177 -0.053 1.00 0.00 O ATOM 96 CB GLN A 10 -2.964 -13.156 2.972 1.00 0.00 C ATOM 97 CG GLN A 10 -2.152 -12.126 3.739 1.00 0.00 C ATOM 98 CD GLN A 10 -0.859 -12.693 4.289 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.777 -13.877 4.620 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.163 -11.850 4.389 1.00 0.00 N ATOM 0 H GLN A 10 -4.897 -14.547 2.278 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.734 -11.938 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.283 -13.940 3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.325 -13.627 2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.925 -11.286 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.752 -11.736 4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.052 -10.877 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.059 -12.176 4.751 1.00 0.00 H new ATOM 109 N CYS A 11 -3.388 -10.475 1.366 1.00 0.00 N ATOM 110 CA CYS A 11 -2.956 -9.556 0.319 1.00 0.00 C ATOM 111 C CYS A 11 -1.444 -9.618 0.131 1.00 0.00 C ATOM 112 O CYS A 11 -0.697 -9.837 1.086 1.00 0.00 O ATOM 113 CB CYS A 11 -3.383 -8.127 0.659 1.00 0.00 C ATOM 114 SG CYS A 11 -5.092 -7.741 0.214 1.00 0.00 S ATOM 0 H CYS A 11 -3.372 -10.081 2.307 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.432 -9.857 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.252 -7.965 1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.719 -7.430 0.148 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.153 -6.536 -0.269 1.00 0.00 H new ATOM 120 N LYS A 12 -0.999 -9.425 -1.105 1.00 0.00 N ATOM 121 CA LYS A 12 0.425 -9.459 -1.420 1.00 0.00 C ATOM 122 C LYS A 12 1.048 -8.074 -1.276 1.00 0.00 C ATOM 123 O LYS A 12 0.382 -7.050 -1.428 1.00 0.00 O ATOM 124 CB LYS A 12 0.642 -9.981 -2.842 1.00 0.00 C ATOM 125 CG LYS A 12 0.282 -8.975 -3.921 1.00 0.00 C ATOM 126 CD LYS A 12 1.114 -9.181 -5.176 1.00 0.00 C ATOM 127 CE LYS A 12 0.552 -10.300 -6.040 1.00 0.00 C ATOM 128 NZ LYS A 12 1.619 -10.992 -6.813 1.00 0.00 N ATOM 0 H LYS A 12 -1.604 -9.243 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 12 0.911 -10.132 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.687 -10.268 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.046 -10.882 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.776 -9.066 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.436 -7.964 -3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.143 -8.255 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.142 -9.415 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.035 -11.022 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.188 -9.891 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.196 -11.748 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.096 -10.308 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.312 -11.404 -6.156 1.00 0.00 H new ATOM 142 N PRO A 13 2.354 -8.040 -0.975 1.00 0.00 N ATOM 143 CA PRO A 13 3.096 -6.787 -0.806 1.00 0.00 C ATOM 144 C PRO A 13 3.278 -6.039 -2.122 1.00 0.00 C ATOM 145 O PRO A 13 3.763 -6.586 -3.113 1.00 0.00 O ATOM 146 CB PRO A 13 4.449 -7.246 -0.260 1.00 0.00 C ATOM 147 CG PRO A 13 4.598 -8.648 -0.745 1.00 0.00 C ATOM 148 CD PRO A 13 3.210 -9.223 -0.779 1.00 0.00 C ATOM 0 HA PRO A 13 2.573 -6.089 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.258 -6.613 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.473 -7.199 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.055 -8.672 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.243 -9.224 -0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.093 -9.942 -1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.968 -9.745 0.147 1.00 0.00 H new ATOM 156 N PRO A 14 2.883 -4.758 -2.135 1.00 0.00 N ATOM 157 CA PRO A 14 2.994 -3.906 -3.323 1.00 0.00 C ATOM 158 C PRO A 14 4.443 -3.565 -3.658 1.00 0.00 C ATOM 159 O PRO A 14 5.348 -3.824 -2.867 1.00 0.00 O ATOM 160 CB PRO A 14 2.225 -2.643 -2.928 1.00 0.00 C ATOM 161 CG PRO A 14 2.297 -2.606 -1.441 1.00 0.00 C ATOM 162 CD PRO A 14 2.298 -4.040 -0.989 1.00 0.00 C ATOM 0 HA PRO A 14 2.604 -4.397 -4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.673 -1.752 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.192 -2.684 -3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.198 -2.091 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.448 -2.066 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.891 -4.176 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.291 -4.392 -0.766 1.00 0.00 H new ATOM 170 N GLN A 15 4.651 -2.983 -4.835 1.00 0.00 N ATOM 171 CA GLN A 15 5.990 -2.608 -5.274 1.00 0.00 C ATOM 172 C GLN A 15 6.187 -1.097 -5.188 1.00 0.00 C ATOM 173 O GLN A 15 5.485 -0.331 -5.849 1.00 0.00 O ATOM 174 CB GLN A 15 6.233 -3.085 -6.706 1.00 0.00 C ATOM 175 CG GLN A 15 7.623 -2.760 -7.228 1.00 0.00 C ATOM 176 CD GLN A 15 7.700 -2.790 -8.742 1.00 0.00 C ATOM 177 OE1 GLN A 15 6.739 -2.443 -9.430 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.845 -3.207 -9.269 1.00 0.00 N ATOM 0 H GLN A 15 3.911 -2.761 -5.501 1.00 0.00 H new ATOM 0 HA GLN A 15 6.710 -3.089 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.080 -4.163 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.492 -2.629 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.919 -1.773 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.337 -3.474 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.615 -3.485 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.955 -3.249 -10.282 1.00 0.00 H new ATOM 187 N VAL A 16 7.146 -0.676 -4.370 1.00 0.00 N ATOM 188 CA VAL A 16 7.436 0.743 -4.200 1.00 0.00 C ATOM 189 C VAL A 16 8.586 1.181 -5.100 1.00 0.00 C ATOM 190 O VAL A 16 9.651 0.564 -5.110 1.00 0.00 O ATOM 191 CB VAL A 16 7.789 1.071 -2.737 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.630 0.722 -1.816 1.00 0.00 C ATOM 193 CG2 VAL A 16 9.054 0.338 -2.317 1.00 0.00 C ATOM 0 H VAL A 16 7.735 -1.297 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 16 6.534 1.287 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 16 7.974 2.142 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.898 0.961 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.750 1.297 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.410 -0.343 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.289 0.581 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.900 -0.737 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.881 0.644 -2.958 1.00 0.00 H new ATOM 203 N THR A 17 8.365 2.253 -5.854 1.00 0.00 N ATOM 204 CA THR A 17 9.382 2.775 -6.758 1.00 0.00 C ATOM 205 C THR A 17 9.719 4.224 -6.429 1.00 0.00 C ATOM 206 O THR A 17 9.002 5.144 -6.827 1.00 0.00 O ATOM 207 CB THR A 17 8.926 2.686 -8.227 1.00 0.00 C ATOM 208 OG1 THR A 17 8.805 1.315 -8.620 1.00 0.00 O ATOM 209 CG2 THR A 17 9.913 3.395 -9.143 1.00 0.00 C ATOM 0 H THR A 17 7.490 2.777 -5.856 1.00 0.00 H new ATOM 0 HA THR A 17 10.271 2.159 -6.623 1.00 0.00 H new ATOM 0 HB THR A 17 7.956 3.176 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.513 1.267 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.571 3.319 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.982 4.445 -8.860 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.894 2.929 -9.051 1.00 0.00 H new ATOM 217 N CYS A 18 10.813 4.422 -5.702 1.00 0.00 N ATOM 218 CA CYS A 18 11.245 5.762 -5.320 1.00 0.00 C ATOM 219 C CYS A 18 11.492 6.626 -6.552 1.00 0.00 C ATOM 220 O CYS A 18 12.492 6.457 -7.250 1.00 0.00 O ATOM 221 CB CYS A 18 12.515 5.688 -4.471 1.00 0.00 C ATOM 222 SG CYS A 18 13.937 4.977 -5.331 1.00 0.00 S ATOM 0 H CYS A 18 11.417 3.672 -5.365 1.00 0.00 H new ATOM 0 HA CYS A 18 10.449 6.219 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.773 6.692 -4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.309 5.095 -3.580 1.00 0.00 H new ATOM 0 HG CYS A 18 13.981 5.433 -6.548 1.00 0.00 H new ATOM 228 N ARG A 19 10.574 7.550 -6.814 1.00 0.00 N ATOM 229 CA ARG A 19 10.690 8.439 -7.963 1.00 0.00 C ATOM 230 C ARG A 19 11.700 9.550 -7.692 1.00 0.00 C ATOM 231 O ARG A 19 12.419 9.984 -8.593 1.00 0.00 O ATOM 232 CB ARG A 19 9.328 9.046 -8.306 1.00 0.00 C ATOM 233 CG ARG A 19 8.373 8.067 -8.969 1.00 0.00 C ATOM 234 CD ARG A 19 8.518 8.086 -10.482 1.00 0.00 C ATOM 235 NE ARG A 19 7.993 9.318 -11.066 1.00 0.00 N ATOM 236 CZ ARG A 19 7.678 9.446 -12.350 1.00 0.00 C ATOM 237 NH1 ARG A 19 7.832 8.423 -13.180 1.00 0.00 N ATOM 238 NH2 ARG A 19 7.206 10.599 -12.807 1.00 0.00 N ATOM 0 H ARG A 19 9.741 7.703 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 19 11.042 7.851 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.869 9.426 -7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.477 9.900 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.565 7.061 -8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.347 8.317 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.570 7.979 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.993 7.231 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 19 7.861 10.124 -10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.193 7.535 -12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.589 8.525 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.085 11.388 -12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.964 10.696 -13.793 1.00 0.00 H new ATOM 252 N SER A 20 11.749 10.007 -6.444 1.00 0.00 N ATOM 253 CA SER A 20 12.668 11.070 -6.054 1.00 0.00 C ATOM 254 C SER A 20 12.803 11.141 -4.536 1.00 0.00 C ATOM 255 O SER A 20 12.202 10.350 -3.811 1.00 0.00 O ATOM 256 CB SER A 20 12.186 12.415 -6.600 1.00 0.00 C ATOM 257 OG SER A 20 11.730 12.289 -7.936 1.00 0.00 O ATOM 0 H SER A 20 11.163 9.657 -5.686 1.00 0.00 H new ATOM 0 HA SER A 20 13.647 10.845 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.382 12.799 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.998 13.141 -6.556 1.00 0.00 H new ATOM 0 HG SER A 20 12.348 11.719 -8.440 1.00 0.00 H new ATOM 263 N ALA A 21 13.597 12.097 -4.064 1.00 0.00 N ATOM 264 CA ALA A 21 13.810 12.275 -2.633 1.00 0.00 C ATOM 265 C ALA A 21 12.492 12.534 -1.910 1.00 0.00 C ATOM 266 O ALA A 21 12.276 12.048 -0.800 1.00 0.00 O ATOM 267 CB ALA A 21 14.785 13.416 -2.383 1.00 0.00 C ATOM 0 H ALA A 21 14.103 12.760 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 21 14.237 11.354 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.935 13.538 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.739 13.190 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.380 14.338 -2.800 1.00 0.00 H new ATOM 273 N THR A 22 11.614 13.303 -2.547 1.00 0.00 N ATOM 274 CA THR A 22 10.319 13.628 -1.963 1.00 0.00 C ATOM 275 C THR A 22 9.180 13.058 -2.801 1.00 0.00 C ATOM 276 O THR A 22 8.059 13.567 -2.770 1.00 0.00 O ATOM 277 CB THR A 22 10.130 15.150 -1.828 1.00 0.00 C ATOM 278 OG1 THR A 22 9.782 15.715 -3.097 1.00 0.00 O ATOM 279 CG2 THR A 22 11.397 15.808 -1.304 1.00 0.00 C ATOM 0 H THR A 22 11.777 13.712 -3.467 1.00 0.00 H new ATOM 0 HA THR A 22 10.297 13.177 -0.971 1.00 0.00 H new ATOM 0 HB THR A 22 9.324 15.332 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.662 16.683 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.239 16.883 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.642 15.397 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.219 15.616 -1.994 1.00 0.00 H new ATOM 287 N CYS A 23 9.474 12.000 -3.548 1.00 0.00 N ATOM 288 CA CYS A 23 8.473 11.360 -4.395 1.00 0.00 C ATOM 289 C CYS A 23 8.531 9.843 -4.255 1.00 0.00 C ATOM 290 O CYS A 23 9.599 9.269 -4.040 1.00 0.00 O ATOM 291 CB CYS A 23 8.683 11.758 -5.857 1.00 0.00 C ATOM 292 SG CYS A 23 8.815 13.542 -6.125 1.00 0.00 S ATOM 0 H CYS A 23 10.397 11.567 -3.585 1.00 0.00 H new ATOM 0 HA CYS A 23 7.489 11.698 -4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.589 11.278 -6.227 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.854 11.373 -6.450 1.00 0.00 H new ATOM 0 HG CYS A 23 8.993 13.779 -7.391 1.00 0.00 H new ATOM 298 N ALA A 24 7.376 9.198 -4.377 1.00 0.00 N ATOM 299 CA ALA A 24 7.295 7.746 -4.264 1.00 0.00 C ATOM 300 C ALA A 24 6.057 7.208 -4.972 1.00 0.00 C ATOM 301 O ALA A 24 5.040 7.895 -5.070 1.00 0.00 O ATOM 302 CB ALA A 24 7.292 7.330 -2.801 1.00 0.00 C ATOM 0 H ALA A 24 6.483 9.658 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 24 8.173 7.319 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.231 6.244 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.210 7.673 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.433 7.774 -2.298 1.00 0.00 H new ATOM 308 N GLN A 25 6.150 5.978 -5.465 1.00 0.00 N ATOM 309 CA GLN A 25 5.036 5.349 -6.166 1.00 0.00 C ATOM 310 C GLN A 25 4.812 3.926 -5.665 1.00 0.00 C ATOM 311 O GLN A 25 5.761 3.161 -5.491 1.00 0.00 O ATOM 312 CB GLN A 25 5.296 5.338 -7.673 1.00 0.00 C ATOM 313 CG GLN A 25 4.164 4.723 -8.481 1.00 0.00 C ATOM 314 CD GLN A 25 3.126 5.745 -8.901 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.446 6.744 -9.546 1.00 0.00 O ATOM 316 NE2 GLN A 25 1.872 5.500 -8.537 1.00 0.00 N ATOM 0 H GLN A 25 6.985 5.397 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 25 4.137 5.931 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.460 6.361 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.215 4.785 -7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.575 4.242 -9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.683 3.943 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.651 4.660 -8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.130 6.152 -8.792 1.00 0.00 H new ATOM 325 N VAL A 26 3.550 3.576 -5.437 1.00 0.00 N ATOM 326 CA VAL A 26 3.201 2.243 -4.959 1.00 0.00 C ATOM 327 C VAL A 26 2.376 1.486 -5.993 1.00 0.00 C ATOM 328 O VAL A 26 1.699 2.089 -6.823 1.00 0.00 O ATOM 329 CB VAL A 26 2.411 2.311 -3.637 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.288 0.928 -3.017 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.073 3.281 -2.670 1.00 0.00 C ATOM 0 H VAL A 26 2.753 4.197 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 26 4.138 1.712 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 26 1.407 2.677 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.727 0.996 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.766 0.265 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.282 0.530 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.502 3.316 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.089 2.947 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.103 4.275 -3.116 1.00 0.00 H new ATOM 341 N ASN A 27 2.439 0.160 -5.935 1.00 0.00 N ATOM 342 CA ASN A 27 1.698 -0.681 -6.868 1.00 0.00 C ATOM 343 C ASN A 27 1.297 -1.999 -6.212 1.00 0.00 C ATOM 344 O ASN A 27 2.099 -2.631 -5.526 1.00 0.00 O ATOM 345 CB ASN A 27 2.536 -0.956 -8.118 1.00 0.00 C ATOM 346 CG ASN A 27 3.166 0.305 -8.680 1.00 0.00 C ATOM 347 OD1 ASN A 27 2.329 1.237 -9.122 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 4.388 0.438 -8.715 1.00 0.00 N flip ATOM 0 H ASN A 27 2.995 -0.355 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 27 0.792 -0.148 -7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.320 -1.674 -7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.907 -1.416 -8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.992 -0.305 -8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.797 1.291 -9.095 1.00 0.00 H new ATOM 355 N TRP A 28 0.051 -2.405 -6.427 1.00 0.00 N ATOM 356 CA TRP A 28 -0.456 -3.649 -5.856 1.00 0.00 C ATOM 357 C TRP A 28 -1.269 -4.427 -6.885 1.00 0.00 C ATOM 358 O TRP A 28 -1.403 -4.003 -8.032 1.00 0.00 O ATOM 359 CB TRP A 28 -1.315 -3.356 -4.625 1.00 0.00 C ATOM 360 CG TRP A 28 -2.464 -2.436 -4.908 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.714 -2.792 -5.328 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.469 -1.010 -4.791 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.495 -1.672 -5.480 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.755 -0.566 -5.157 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.512 -0.063 -4.412 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.105 0.782 -5.154 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.862 1.273 -4.411 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.150 1.686 -4.779 1.00 0.00 C ATOM 0 H TRP A 28 -0.627 -1.892 -6.992 1.00 0.00 H new ATOM 0 HA TRP A 28 0.397 -4.258 -5.558 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.700 -4.295 -4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.688 -2.915 -3.850 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.040 -3.805 -5.513 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.469 -1.665 -5.784 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.517 -0.371 -4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.097 1.102 -5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.130 2.013 -4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.393 2.738 -4.766 1.00 0.00 H new ATOM 379 N GLU A 29 -1.809 -5.568 -6.466 1.00 0.00 N ATOM 380 CA GLU A 29 -2.608 -6.405 -7.353 1.00 0.00 C ATOM 381 C GLU A 29 -3.707 -7.126 -6.576 1.00 0.00 C ATOM 382 O GLU A 29 -3.750 -7.073 -5.348 1.00 0.00 O ATOM 383 CB GLU A 29 -1.718 -7.425 -8.066 1.00 0.00 C ATOM 384 CG GLU A 29 -0.856 -6.821 -9.162 1.00 0.00 C ATOM 385 CD GLU A 29 -0.478 -7.828 -10.229 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.433 -8.645 -9.976 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.091 -7.800 -11.317 1.00 0.00 O ATOM 0 H GLU A 29 -1.708 -5.933 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.076 -5.760 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.072 -7.907 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.347 -8.204 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.391 -5.991 -9.624 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.051 -6.408 -8.720 1.00 0.00 H new ATOM 394 N VAL A 30 -4.592 -7.799 -7.304 1.00 0.00 N ATOM 395 CA VAL A 30 -5.690 -8.532 -6.685 1.00 0.00 C ATOM 396 C VAL A 30 -5.334 -10.002 -6.499 1.00 0.00 C ATOM 397 O VAL A 30 -4.772 -10.647 -7.384 1.00 0.00 O ATOM 398 CB VAL A 30 -6.978 -8.429 -7.525 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.173 -8.937 -6.735 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.201 -6.996 -7.983 1.00 0.00 C ATOM 0 H VAL A 30 -4.570 -7.852 -8.322 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.864 -8.077 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.866 -9.056 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.073 -8.856 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.012 -9.980 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.292 -8.340 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.115 -6.941 -8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.293 -6.346 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.356 -6.672 -8.590 1.00 0.00 H new ATOM 410 N PRO A 31 -5.670 -10.548 -5.320 1.00 0.00 N ATOM 411 CA PRO A 31 -5.396 -11.950 -4.990 1.00 0.00 C ATOM 412 C PRO A 31 -6.261 -12.915 -5.793 1.00 0.00 C ATOM 413 O PRO A 31 -6.855 -12.537 -6.804 1.00 0.00 O ATOM 414 CB PRO A 31 -5.739 -12.037 -3.501 1.00 0.00 C ATOM 415 CG PRO A 31 -6.725 -10.944 -3.275 1.00 0.00 C ATOM 416 CD PRO A 31 -6.341 -9.838 -4.219 1.00 0.00 C ATOM 0 HA PRO A 31 -4.368 -12.230 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.161 -13.010 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.852 -11.904 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.741 -11.288 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.697 -10.601 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.214 -9.287 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.678 -9.116 -3.743 1.00 0.00 H new ATOM 424 N LEU A 32 -6.330 -14.161 -5.337 1.00 0.00 N ATOM 425 CA LEU A 32 -7.124 -15.180 -6.014 1.00 0.00 C ATOM 426 C LEU A 32 -8.336 -15.572 -5.174 1.00 0.00 C ATOM 427 O LEU A 32 -8.277 -16.513 -4.382 1.00 0.00 O ATOM 428 CB LEU A 32 -6.268 -16.414 -6.301 1.00 0.00 C ATOM 429 CG LEU A 32 -6.968 -17.562 -7.029 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.828 -17.404 -8.535 1.00 0.00 C ATOM 431 CD2 LEU A 32 -6.406 -18.902 -6.576 1.00 0.00 C ATOM 0 H LEU A 32 -5.846 -14.490 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.477 -14.763 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.408 -16.105 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.882 -16.792 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.029 -17.532 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.332 -18.230 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.279 -16.462 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.772 -17.407 -8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.916 -19.708 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.339 -18.942 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.560 -19.017 -5.503 1.00 0.00 H new ATOM 443 N SER A 33 -9.434 -14.845 -5.354 1.00 0.00 N ATOM 444 CA SER A 33 -10.660 -15.116 -4.613 1.00 0.00 C ATOM 445 C SER A 33 -11.700 -15.783 -5.507 1.00 0.00 C ATOM 446 O SER A 33 -12.150 -15.202 -6.494 1.00 0.00 O ATOM 447 CB SER A 33 -11.226 -13.819 -4.031 1.00 0.00 C ATOM 448 OG SER A 33 -11.531 -12.891 -5.058 1.00 0.00 O ATOM 0 H SER A 33 -9.500 -14.064 -6.007 1.00 0.00 H new ATOM 0 HA SER A 33 -10.419 -15.797 -3.797 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.125 -14.037 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.504 -13.380 -3.342 1.00 0.00 H new ATOM 0 HG SER A 33 -12.394 -12.466 -4.870 1.00 0.00 H new ATOM 454 N ASN A 34 -12.079 -17.007 -5.152 1.00 0.00 N ATOM 455 CA ASN A 34 -13.067 -17.754 -5.923 1.00 0.00 C ATOM 456 C ASN A 34 -14.452 -17.632 -5.294 1.00 0.00 C ATOM 457 O ASN A 34 -14.973 -18.589 -4.724 1.00 0.00 O ATOM 458 CB ASN A 34 -12.664 -19.227 -6.014 1.00 0.00 C ATOM 459 CG ASN A 34 -11.258 -19.409 -6.553 1.00 0.00 C ATOM 460 OD1 ASN A 34 -11.049 -19.474 -7.765 1.00 0.00 O ATOM 461 ND2 ASN A 34 -10.286 -19.494 -5.653 1.00 0.00 N ATOM 0 H ASN A 34 -11.718 -17.502 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.105 -17.331 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.733 -19.682 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.368 -19.755 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.320 -19.618 -5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.505 -19.435 -4.659 1.00 0.00 H new ATOM 468 N GLY A 35 -15.044 -16.446 -5.405 1.00 0.00 N ATOM 469 CA GLY A 35 -16.363 -16.221 -4.845 1.00 0.00 C ATOM 470 C GLY A 35 -16.743 -14.754 -4.828 1.00 0.00 C ATOM 471 O GLY A 35 -17.649 -14.330 -5.545 1.00 0.00 O ATOM 0 H GLY A 35 -14.633 -15.638 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.100 -16.777 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.394 -16.613 -3.828 1.00 0.00 H new ATOM 475 N THR A 36 -16.049 -13.974 -4.003 1.00 0.00 N ATOM 476 CA THR A 36 -16.320 -12.546 -3.892 1.00 0.00 C ATOM 477 C THR A 36 -15.186 -11.723 -4.493 1.00 0.00 C ATOM 478 O THR A 36 -14.020 -12.109 -4.417 1.00 0.00 O ATOM 479 CB THR A 36 -16.522 -12.125 -2.425 1.00 0.00 C ATOM 480 OG1 THR A 36 -16.825 -10.727 -2.354 1.00 0.00 O ATOM 481 CG2 THR A 36 -15.279 -12.422 -1.600 1.00 0.00 C ATOM 0 H THR A 36 -15.295 -14.308 -3.402 1.00 0.00 H new ATOM 0 HA THR A 36 -17.238 -12.355 -4.447 1.00 0.00 H new ATOM 0 HB THR A 36 -17.355 -12.698 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 36 -17.109 -10.500 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.446 -12.116 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.068 -13.491 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.431 -11.872 -2.009 1.00 0.00 H new ATOM 489 N ASP A 37 -15.537 -10.590 -5.091 1.00 0.00 N ATOM 490 CA ASP A 37 -14.547 -9.711 -5.703 1.00 0.00 C ATOM 491 C ASP A 37 -14.264 -8.506 -4.811 1.00 0.00 C ATOM 492 O ASP A 37 -15.173 -7.946 -4.198 1.00 0.00 O ATOM 493 CB ASP A 37 -15.033 -9.242 -7.076 1.00 0.00 C ATOM 494 CG ASP A 37 -16.085 -8.155 -6.978 1.00 0.00 C ATOM 495 OD1 ASP A 37 -16.873 -8.178 -6.009 1.00 0.00 O ATOM 496 OD2 ASP A 37 -16.122 -7.282 -7.870 1.00 0.00 O ATOM 0 H ASP A 37 -16.499 -10.259 -5.165 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.622 -10.274 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.185 -8.871 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.442 -10.091 -7.623 1.00 0.00 H new ATOM 501 N VAL A 38 -12.996 -8.113 -4.741 1.00 0.00 N ATOM 502 CA VAL A 38 -12.591 -6.976 -3.924 1.00 0.00 C ATOM 503 C VAL A 38 -13.336 -5.711 -4.337 1.00 0.00 C ATOM 504 O VAL A 38 -13.257 -5.277 -5.487 1.00 0.00 O ATOM 505 CB VAL A 38 -11.076 -6.722 -4.026 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.638 -5.686 -3.002 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.305 -8.021 -3.846 1.00 0.00 C ATOM 0 H VAL A 38 -12.231 -8.566 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.841 -7.222 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.857 -6.331 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.564 -5.520 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.166 -4.750 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.869 -6.045 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.236 -7.823 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.528 -8.444 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.598 -8.729 -4.622 1.00 0.00 H new ATOM 517 N THR A 39 -14.060 -5.121 -3.390 1.00 0.00 N ATOM 518 CA THR A 39 -14.820 -3.906 -3.654 1.00 0.00 C ATOM 519 C THR A 39 -13.908 -2.686 -3.696 1.00 0.00 C ATOM 520 O THR A 39 -13.917 -1.926 -4.664 1.00 0.00 O ATOM 521 CB THR A 39 -15.909 -3.682 -2.589 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.380 -3.941 -1.284 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.108 -4.584 -2.844 1.00 0.00 C ATOM 0 H THR A 39 -14.136 -5.466 -2.433 1.00 0.00 H new ATOM 0 HA THR A 39 -15.295 -4.035 -4.627 1.00 0.00 H new ATOM 0 HB THR A 39 -16.235 -2.644 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.079 -3.795 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.865 -4.408 -2.079 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.527 -4.364 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.793 -5.627 -2.810 1.00 0.00 H new ATOM 531 N GLU A 40 -13.121 -2.505 -2.639 1.00 0.00 N ATOM 532 CA GLU A 40 -12.203 -1.374 -2.557 1.00 0.00 C ATOM 533 C GLU A 40 -10.867 -1.801 -1.955 1.00 0.00 C ATOM 534 O GLU A 40 -10.688 -2.958 -1.572 1.00 0.00 O ATOM 535 CB GLU A 40 -12.816 -0.250 -1.719 1.00 0.00 C ATOM 536 CG GLU A 40 -12.671 -0.459 -0.222 1.00 0.00 C ATOM 537 CD GLU A 40 -13.790 0.190 0.570 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.953 0.118 0.121 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.502 0.771 1.637 1.00 0.00 O ATOM 0 H GLU A 40 -13.101 -3.125 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.027 -1.008 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.345 0.694 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.874 -0.161 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.653 -1.528 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.715 -0.052 0.107 1.00 0.00 H new ATOM 546 N TYR A 41 -9.933 -0.861 -1.877 1.00 0.00 N ATOM 547 CA TYR A 41 -8.612 -1.140 -1.325 1.00 0.00 C ATOM 548 C TYR A 41 -8.185 -0.043 -0.354 1.00 0.00 C ATOM 549 O TYR A 41 -8.188 1.139 -0.695 1.00 0.00 O ATOM 550 CB TYR A 41 -7.584 -1.270 -2.449 1.00 0.00 C ATOM 551 CG TYR A 41 -7.425 -2.683 -2.965 1.00 0.00 C ATOM 552 CD1 TYR A 41 -6.737 -3.639 -2.229 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.966 -3.060 -4.188 1.00 0.00 C ATOM 554 CE1 TYR A 41 -6.589 -4.930 -2.697 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.825 -4.350 -4.662 1.00 0.00 C ATOM 556 CZ TYR A 41 -7.135 -5.281 -3.914 1.00 0.00 C ATOM 557 OH TYR A 41 -6.992 -6.566 -4.383 1.00 0.00 O ATOM 0 H TYR A 41 -10.065 0.101 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.665 -2.082 -0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.877 -0.622 -3.275 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.619 -0.913 -2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.310 -3.368 -1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.505 -2.333 -4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.049 -5.661 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.253 -4.628 -5.614 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.937 -7.186 -3.626 1.00 0.00 H new ATOM 567 N ARG A 42 -7.817 -0.445 0.858 1.00 0.00 N ATOM 568 CA ARG A 42 -7.387 0.502 1.880 1.00 0.00 C ATOM 569 C ARG A 42 -5.878 0.425 2.092 1.00 0.00 C ATOM 570 O ARG A 42 -5.380 -0.483 2.760 1.00 0.00 O ATOM 571 CB ARG A 42 -8.113 0.227 3.198 1.00 0.00 C ATOM 572 CG ARG A 42 -9.421 0.988 3.343 1.00 0.00 C ATOM 573 CD ARG A 42 -10.036 0.780 4.718 1.00 0.00 C ATOM 574 NE ARG A 42 -11.187 1.652 4.941 1.00 0.00 N ATOM 575 CZ ARG A 42 -11.845 1.721 6.092 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.469 0.974 7.121 1.00 0.00 N ATOM 577 NH2 ARG A 42 -12.883 2.539 6.217 1.00 0.00 N ATOM 0 H ARG A 42 -7.808 -1.420 1.156 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.638 1.506 1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.313 -0.842 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.456 0.490 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.245 2.051 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.122 0.659 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.344 -0.260 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.284 0.970 5.484 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.502 2.240 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.672 0.344 7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.977 1.029 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.176 3.115 5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.388 2.591 7.102 1.00 0.00 H new ATOM 591 N LEU A 43 -5.156 1.382 1.521 1.00 0.00 N ATOM 592 CA LEU A 43 -3.703 1.423 1.647 1.00 0.00 C ATOM 593 C LEU A 43 -3.273 2.494 2.644 1.00 0.00 C ATOM 594 O LEU A 43 -3.627 3.664 2.504 1.00 0.00 O ATOM 595 CB LEU A 43 -3.061 1.691 0.285 1.00 0.00 C ATOM 596 CG LEU A 43 -1.585 2.093 0.306 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.701 0.871 0.498 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.214 2.826 -0.975 1.00 0.00 C ATOM 0 H LEU A 43 -5.553 2.140 0.966 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.367 0.454 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.164 0.794 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.625 2.481 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.424 2.767 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.345 1.177 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.949 0.388 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.865 0.171 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.161 3.104 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.391 2.175 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.824 3.724 -1.070 1.00 0.00 H new ATOM 610 N GLU A 44 -2.506 2.085 3.650 1.00 0.00 N ATOM 611 CA GLU A 44 -2.026 3.011 4.670 1.00 0.00 C ATOM 612 C GLU A 44 -0.565 3.378 4.427 1.00 0.00 C ATOM 613 O GLU A 44 0.198 2.594 3.863 1.00 0.00 O ATOM 614 CB GLU A 44 -2.185 2.397 6.062 1.00 0.00 C ATOM 615 CG GLU A 44 -3.633 2.208 6.483 1.00 0.00 C ATOM 616 CD GLU A 44 -3.767 1.766 7.928 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.839 2.646 8.812 1.00 0.00 O ATOM 618 OE2 GLU A 44 -3.802 0.542 8.174 1.00 0.00 O ATOM 0 H GLU A 44 -2.204 1.120 3.781 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.625 3.920 4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.680 1.431 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.684 3.035 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.174 3.144 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.102 1.467 5.835 1.00 0.00 H new ATOM 625 N TRP A 45 -0.184 4.576 4.858 1.00 0.00 N ATOM 626 CA TRP A 45 1.186 5.048 4.687 1.00 0.00 C ATOM 627 C TRP A 45 1.590 5.969 5.832 1.00 0.00 C ATOM 628 O TRP A 45 1.159 7.119 5.899 1.00 0.00 O ATOM 629 CB TRP A 45 1.331 5.780 3.352 1.00 0.00 C ATOM 630 CG TRP A 45 2.730 6.246 3.079 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.439 7.169 3.793 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.586 5.811 2.018 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.685 7.336 3.238 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.800 6.513 2.149 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.446 4.896 0.971 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.865 6.327 1.271 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.505 4.713 0.100 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.701 5.425 0.255 1.00 0.00 C ATOM 0 H TRP A 45 -0.803 5.237 5.327 1.00 0.00 H new ATOM 0 HA TRP A 45 1.847 4.181 4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.012 5.118 2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.661 6.640 3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.074 7.691 4.665 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.407 7.970 3.581 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.528 4.342 0.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.788 6.875 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.408 4.009 -0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.510 5.259 -0.441 1.00 0.00 H new ATOM 649 N GLY A 46 2.422 5.456 6.734 1.00 0.00 N ATOM 650 CA GLY A 46 2.871 6.246 7.864 1.00 0.00 C ATOM 651 C GLY A 46 4.379 6.228 8.023 1.00 0.00 C ATOM 652 O GLY A 46 4.985 5.164 8.129 1.00 0.00 O ATOM 0 H GLY A 46 2.793 4.506 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.534 7.275 7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.408 5.867 8.775 1.00 0.00 H new ATOM 656 N GLY A 47 4.984 7.412 8.036 1.00 0.00 N ATOM 657 CA GLY A 47 6.426 7.505 8.181 1.00 0.00 C ATOM 658 C GLY A 47 6.990 6.416 9.072 1.00 0.00 C ATOM 659 O GLY A 47 7.858 5.650 8.654 1.00 0.00 O ATOM 0 H GLY A 47 4.503 8.307 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.892 7.443 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.684 8.479 8.595 1.00 0.00 H new ATOM 663 N VAL A 48 6.499 6.347 10.305 1.00 0.00 N ATOM 664 CA VAL A 48 6.961 5.346 11.257 1.00 0.00 C ATOM 665 C VAL A 48 5.953 4.210 11.391 1.00 0.00 C ATOM 666 O VAL A 48 4.769 4.443 11.627 1.00 0.00 O ATOM 667 CB VAL A 48 7.209 5.963 12.646 1.00 0.00 C ATOM 668 CG1 VAL A 48 7.219 4.883 13.718 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.512 6.747 12.655 1.00 0.00 C ATOM 0 H VAL A 48 5.780 6.974 10.668 1.00 0.00 H new ATOM 0 HA VAL A 48 7.901 4.952 10.870 1.00 0.00 H new ATOM 0 HB VAL A 48 6.395 6.653 12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.396 5.339 14.692 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.257 4.370 13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.011 4.165 13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.672 7.176 13.644 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.339 6.081 12.411 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.460 7.547 11.916 1.00 0.00 H new ATOM 679 N GLU A 49 6.433 2.978 11.239 1.00 0.00 N ATOM 680 CA GLU A 49 5.573 1.806 11.343 1.00 0.00 C ATOM 681 C GLU A 49 4.630 1.926 12.538 1.00 0.00 C ATOM 682 O GLU A 49 3.496 1.451 12.498 1.00 0.00 O ATOM 683 CB GLU A 49 6.418 0.537 11.472 1.00 0.00 C ATOM 684 CG GLU A 49 7.219 0.467 12.762 1.00 0.00 C ATOM 685 CD GLU A 49 8.002 -0.825 12.891 1.00 0.00 C ATOM 686 OE1 GLU A 49 9.133 -0.891 12.365 1.00 0.00 O ATOM 687 OE2 GLU A 49 7.484 -1.771 13.522 1.00 0.00 O ATOM 0 H GLU A 49 7.412 2.767 11.044 1.00 0.00 H new ATOM 0 HA GLU A 49 4.974 1.745 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.764 -0.333 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.102 0.479 10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.908 1.311 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.543 0.564 13.611 1.00 0.00 H new ATOM 694 N GLY A 50 5.109 2.566 13.600 1.00 0.00 N ATOM 695 CA GLY A 50 4.299 2.737 14.792 1.00 0.00 C ATOM 696 C GLY A 50 3.024 3.510 14.518 1.00 0.00 C ATOM 697 O GLY A 50 1.975 3.215 15.091 1.00 0.00 O ATOM 0 H GLY A 50 6.044 2.969 13.656 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.047 1.758 15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.881 3.259 15.552 1.00 0.00 H new ATOM 701 N SER A 51 3.114 4.506 13.642 1.00 0.00 N ATOM 702 CA SER A 51 1.960 5.329 13.298 1.00 0.00 C ATOM 703 C SER A 51 1.612 5.187 11.820 1.00 0.00 C ATOM 704 O SER A 51 2.268 5.771 10.958 1.00 0.00 O ATOM 705 CB SER A 51 2.236 6.797 13.630 1.00 0.00 C ATOM 706 OG SER A 51 1.035 7.485 13.936 1.00 0.00 O ATOM 0 H SER A 51 3.974 4.763 13.158 1.00 0.00 H new ATOM 0 HA SER A 51 1.111 4.984 13.888 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.920 6.859 14.476 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.729 7.278 12.785 1.00 0.00 H new ATOM 0 HG SER A 51 1.238 8.420 14.146 1.00 0.00 H new ATOM 712 N MET A 52 0.575 4.405 11.534 1.00 0.00 N ATOM 713 CA MET A 52 0.140 4.187 10.160 1.00 0.00 C ATOM 714 C MET A 52 -1.312 4.619 9.976 1.00 0.00 C ATOM 715 O MET A 52 -2.149 4.402 10.851 1.00 0.00 O ATOM 716 CB MET A 52 0.297 2.713 9.780 1.00 0.00 C ATOM 717 CG MET A 52 1.742 2.294 9.559 1.00 0.00 C ATOM 718 SD MET A 52 2.246 2.425 7.834 1.00 0.00 S ATOM 719 CE MET A 52 1.605 0.887 7.176 1.00 0.00 C ATOM 0 H MET A 52 0.022 3.913 12.235 1.00 0.00 H new ATOM 0 HA MET A 52 0.768 4.792 9.506 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.136 2.095 10.567 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.273 2.518 8.871 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.394 2.916 10.172 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.874 1.265 9.895 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.429 0.994 6.106 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.328 0.089 7.347 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.668 0.640 7.675 1.00 0.00 H new ATOM 729 N GLN A 53 -1.602 5.230 8.832 1.00 0.00 N ATOM 730 CA GLN A 53 -2.952 5.693 8.533 1.00 0.00 C ATOM 731 C GLN A 53 -3.265 5.538 7.049 1.00 0.00 C ATOM 732 O GLN A 53 -2.362 5.373 6.228 1.00 0.00 O ATOM 733 CB GLN A 53 -3.116 7.154 8.953 1.00 0.00 C ATOM 734 CG GLN A 53 -2.865 7.395 10.432 1.00 0.00 C ATOM 735 CD GLN A 53 -3.400 8.733 10.905 1.00 0.00 C ATOM 736 OE1 GLN A 53 -3.241 9.751 10.231 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.038 8.737 12.070 1.00 0.00 N ATOM 0 H GLN A 53 -0.920 5.416 8.097 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.654 5.079 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.429 7.769 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.125 7.483 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.331 6.597 11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.794 7.347 10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.146 7.869 12.595 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.419 9.608 12.440 1.00 0.00 H new ATOM 746 N ILE A 54 -4.549 5.593 6.712 1.00 0.00 N ATOM 747 CA ILE A 54 -4.980 5.460 5.326 1.00 0.00 C ATOM 748 C ILE A 54 -4.622 6.702 4.516 1.00 0.00 C ATOM 749 O ILE A 54 -4.956 7.824 4.901 1.00 0.00 O ATOM 750 CB ILE A 54 -6.499 5.219 5.229 1.00 0.00 C ATOM 751 CG1 ILE A 54 -6.923 4.113 6.197 1.00 0.00 C ATOM 752 CG2 ILE A 54 -6.889 4.861 3.803 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.474 2.732 5.772 1.00 0.00 C ATOM 0 H ILE A 54 -5.308 5.729 7.379 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.456 4.597 4.915 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.017 6.137 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.516 4.330 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.009 4.120 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.965 4.694 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.616 5.678 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.366 3.954 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.810 1.999 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.902 2.494 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.386 2.707 5.706 1.00 0.00 H new ATOM 765 N CYS A 55 -3.941 6.494 3.395 1.00 0.00 N ATOM 766 CA CYS A 55 -3.538 7.598 2.530 1.00 0.00 C ATOM 767 C CYS A 55 -4.321 7.577 1.222 1.00 0.00 C ATOM 768 O CYS A 55 -4.539 8.618 0.600 1.00 0.00 O ATOM 769 CB CYS A 55 -2.037 7.525 2.242 1.00 0.00 C ATOM 770 SG CYS A 55 -1.523 6.017 1.388 1.00 0.00 S ATOM 0 H CYS A 55 -3.656 5.572 3.063 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.756 8.532 3.048 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.751 8.387 1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.493 7.600 3.184 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.284 5.029 1.756 1.00 0.00 H new ATOM 776 N TYR A 56 -4.742 6.387 0.808 1.00 0.00 N ATOM 777 CA TYR A 56 -5.498 6.231 -0.428 1.00 0.00 C ATOM 778 C TYR A 56 -6.599 5.188 -0.265 1.00 0.00 C ATOM 779 O TYR A 56 -6.400 4.152 0.371 1.00 0.00 O ATOM 780 CB TYR A 56 -4.565 5.830 -1.572 1.00 0.00 C ATOM 781 CG TYR A 56 -5.285 5.576 -2.879 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.595 6.623 -3.737 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.655 4.290 -3.253 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.252 6.397 -4.932 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.310 4.054 -4.445 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.608 5.110 -5.281 1.00 0.00 C ATOM 787 OH TYR A 56 -7.262 4.880 -6.469 1.00 0.00 O ATOM 0 H TYR A 56 -4.572 5.516 1.311 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.962 7.188 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.826 6.618 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.019 4.931 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.318 7.631 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.426 3.461 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.485 7.222 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.588 3.048 -4.722 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.992 5.554 -7.127 1.00 0.00 H new ATOM 797 N CYS A 57 -7.760 5.468 -0.845 1.00 0.00 N ATOM 798 CA CYS A 57 -8.896 4.556 -0.765 1.00 0.00 C ATOM 799 C CYS A 57 -9.590 4.431 -2.118 1.00 0.00 C ATOM 800 O CYS A 57 -10.018 5.425 -2.701 1.00 0.00 O ATOM 801 CB CYS A 57 -9.892 5.038 0.290 1.00 0.00 C ATOM 802 SG CYS A 57 -11.228 3.869 0.634 1.00 0.00 S ATOM 0 H CYS A 57 -7.940 6.320 -1.376 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.521 3.574 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.354 5.241 1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.326 5.982 -0.040 1.00 0.00 H new ATOM 0 HG CYS A 57 -12.017 4.366 1.540 1.00 0.00 H new ATOM 808 N GLY A 58 -9.695 3.201 -2.612 1.00 0.00 N ATOM 809 CA GLY A 58 -10.335 2.967 -3.892 1.00 0.00 C ATOM 810 C GLY A 58 -9.916 1.653 -4.520 1.00 0.00 C ATOM 811 O GLY A 58 -8.871 1.090 -4.195 1.00 0.00 O ATOM 0 H GLY A 58 -9.348 2.362 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.417 2.974 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.091 3.784 -4.571 1.00 0.00 H new ATOM 815 N PRO A 59 -10.747 1.141 -5.441 1.00 0.00 N ATOM 816 CA PRO A 59 -10.479 -0.123 -6.134 1.00 0.00 C ATOM 817 C PRO A 59 -9.309 -0.014 -7.106 1.00 0.00 C ATOM 818 O PRO A 59 -8.972 -0.975 -7.796 1.00 0.00 O ATOM 819 CB PRO A 59 -11.781 -0.395 -6.892 1.00 0.00 C ATOM 820 CG PRO A 59 -12.394 0.949 -7.085 1.00 0.00 C ATOM 821 CD PRO A 59 -12.011 1.757 -5.877 1.00 0.00 C ATOM 0 HA PRO A 59 -10.200 -0.917 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.588 -0.883 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.439 -1.053 -6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.028 1.417 -7.999 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.478 0.874 -7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.880 2.811 -6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.773 1.703 -5.100 1.00 0.00 H new ATOM 829 N GLY A 60 -8.694 1.164 -7.156 1.00 0.00 N ATOM 830 CA GLY A 60 -7.569 1.376 -8.048 1.00 0.00 C ATOM 831 C GLY A 60 -6.457 0.370 -7.826 1.00 0.00 C ATOM 832 O GLY A 60 -6.503 -0.422 -6.884 1.00 0.00 O ATOM 0 H GLY A 60 -8.955 1.975 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.911 1.313 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.178 2.383 -7.902 1.00 0.00 H new ATOM 836 N LEU A 61 -5.454 0.398 -8.697 1.00 0.00 N ATOM 837 CA LEU A 61 -4.325 -0.520 -8.595 1.00 0.00 C ATOM 838 C LEU A 61 -3.003 0.220 -8.764 1.00 0.00 C ATOM 839 O LEU A 61 -1.978 -0.383 -9.083 1.00 0.00 O ATOM 840 CB LEU A 61 -4.443 -1.625 -9.647 1.00 0.00 C ATOM 841 CG LEU A 61 -5.787 -2.353 -9.708 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.912 -3.132 -11.008 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.947 -3.277 -8.511 1.00 0.00 C ATOM 0 H LEU A 61 -5.400 1.047 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.343 -0.969 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.244 -1.190 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.662 -2.362 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.584 -1.610 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.874 -3.644 -11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.843 -2.445 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.109 -3.866 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.909 -3.787 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.145 -4.015 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.903 -2.693 -7.592 1.00 0.00 H new ATOM 855 N SER A 62 -3.034 1.532 -8.548 1.00 0.00 N ATOM 856 CA SER A 62 -1.837 2.356 -8.679 1.00 0.00 C ATOM 857 C SER A 62 -2.058 3.734 -8.062 1.00 0.00 C ATOM 858 O SER A 62 -3.028 4.421 -8.381 1.00 0.00 O ATOM 859 CB SER A 62 -1.451 2.500 -10.152 1.00 0.00 C ATOM 860 OG SER A 62 -2.566 2.884 -10.937 1.00 0.00 O ATOM 0 H SER A 62 -3.874 2.046 -8.282 1.00 0.00 H new ATOM 0 HA SER A 62 -1.025 1.863 -8.145 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.659 3.242 -10.253 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.051 1.555 -10.520 1.00 0.00 H new ATOM 0 HG SER A 62 -3.134 3.494 -10.422 1.00 0.00 H new ATOM 866 N TYR A 63 -1.151 4.131 -7.177 1.00 0.00 N ATOM 867 CA TYR A 63 -1.246 5.426 -6.513 1.00 0.00 C ATOM 868 C TYR A 63 0.132 6.065 -6.366 1.00 0.00 C ATOM 869 O TYR A 63 1.082 5.420 -5.922 1.00 0.00 O ATOM 870 CB TYR A 63 -1.897 5.270 -5.138 1.00 0.00 C ATOM 871 CG TYR A 63 -1.743 6.487 -4.254 1.00 0.00 C ATOM 872 CD1 TYR A 63 -1.943 7.767 -4.757 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.395 6.357 -2.915 1.00 0.00 C ATOM 874 CE1 TYR A 63 -1.802 8.881 -3.954 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.252 7.465 -2.103 1.00 0.00 C ATOM 876 CZ TYR A 63 -1.457 8.725 -2.626 1.00 0.00 C ATOM 877 OH TYR A 63 -1.315 9.832 -1.822 1.00 0.00 O ATOM 0 H TYR A 63 -0.341 3.575 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.865 6.078 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.958 5.059 -5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.460 4.408 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.214 7.892 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.234 5.372 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.961 9.868 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.981 7.346 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.071 9.549 -0.916 1.00 0.00 H new ATOM 887 N GLU A 64 0.231 7.335 -6.741 1.00 0.00 N ATOM 888 CA GLU A 64 1.493 8.063 -6.651 1.00 0.00 C ATOM 889 C GLU A 64 1.519 8.955 -5.413 1.00 0.00 C ATOM 890 O GLU A 64 0.648 9.806 -5.230 1.00 0.00 O ATOM 891 CB GLU A 64 1.709 8.908 -7.906 1.00 0.00 C ATOM 892 CG GLU A 64 3.100 9.515 -7.998 1.00 0.00 C ATOM 893 CD GLU A 64 3.401 10.079 -9.373 1.00 0.00 C ATOM 894 OE1 GLU A 64 3.069 9.409 -10.374 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.969 11.189 -9.450 1.00 0.00 O ATOM 0 H GLU A 64 -0.546 7.882 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 64 2.299 7.334 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.533 8.289 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.970 9.709 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.196 10.307 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.841 8.755 -7.751 1.00 0.00 H new ATOM 902 N ILE A 65 2.523 8.753 -4.566 1.00 0.00 N ATOM 903 CA ILE A 65 2.663 9.538 -3.347 1.00 0.00 C ATOM 904 C ILE A 65 3.792 10.556 -3.475 1.00 0.00 C ATOM 905 O ILE A 65 4.885 10.233 -3.939 1.00 0.00 O ATOM 906 CB ILE A 65 2.935 8.639 -2.126 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.657 7.909 -1.708 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.482 9.465 -0.971 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.906 6.731 -0.793 1.00 0.00 C ATOM 0 H ILE A 65 3.251 8.052 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 65 1.719 10.062 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 65 3.683 7.895 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.993 8.614 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.138 7.562 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.669 8.816 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.414 9.943 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.756 10.229 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.956 6.262 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.545 6.006 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.397 7.075 0.117 1.00 0.00 H new ATOM 921 N LYS A 66 3.519 11.788 -3.060 1.00 0.00 N ATOM 922 CA LYS A 66 4.511 12.855 -3.124 1.00 0.00 C ATOM 923 C LYS A 66 4.549 13.643 -1.819 1.00 0.00 C ATOM 924 O LYS A 66 3.764 13.389 -0.906 1.00 0.00 O ATOM 925 CB LYS A 66 4.203 13.796 -4.291 1.00 0.00 C ATOM 926 CG LYS A 66 4.479 13.186 -5.654 1.00 0.00 C ATOM 927 CD LYS A 66 4.424 14.232 -6.755 1.00 0.00 C ATOM 928 CE LYS A 66 2.991 14.626 -7.078 1.00 0.00 C ATOM 929 NZ LYS A 66 2.913 15.983 -7.687 1.00 0.00 N ATOM 0 H LYS A 66 2.618 12.073 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 66 5.488 12.399 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.155 14.093 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.797 14.703 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.461 12.713 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.748 12.403 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.985 15.115 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.907 13.844 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.559 13.896 -7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.393 14.602 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.920 16.215 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.302 16.684 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.462 15.999 -8.570 1.00 0.00 H new ATOM 943 N GLY A 67 5.467 14.600 -1.737 1.00 0.00 N ATOM 944 CA GLY A 67 5.589 15.411 -0.540 1.00 0.00 C ATOM 945 C GLY A 67 6.251 14.664 0.602 1.00 0.00 C ATOM 946 O GLY A 67 5.852 14.803 1.758 1.00 0.00 O ATOM 0 H GLY A 67 6.129 14.829 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.168 16.306 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.599 15.743 -0.227 1.00 0.00 H new ATOM 950 N LEU A 68 7.263 13.868 0.277 1.00 0.00 N ATOM 951 CA LEU A 68 7.980 13.093 1.284 1.00 0.00 C ATOM 952 C LEU A 68 9.307 13.757 1.638 1.00 0.00 C ATOM 953 O LEU A 68 9.728 14.714 0.987 1.00 0.00 O ATOM 954 CB LEU A 68 8.228 11.670 0.781 1.00 0.00 C ATOM 955 CG LEU A 68 7.029 10.966 0.145 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.476 9.712 -0.592 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.990 10.622 1.202 1.00 0.00 C ATOM 0 H LEU A 68 7.606 13.742 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 68 7.363 13.052 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.036 11.700 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.577 11.066 1.618 1.00 0.00 H new ATOM 0 HG LEU A 68 6.574 11.645 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.610 9.224 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.183 9.983 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.956 9.029 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.144 10.122 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.434 9.961 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.647 11.536 1.686 1.00 0.00 H new ATOM 969 N SER A 69 9.964 13.242 2.673 1.00 0.00 N ATOM 970 CA SER A 69 11.242 13.786 3.115 1.00 0.00 C ATOM 971 C SER A 69 12.372 12.791 2.861 1.00 0.00 C ATOM 972 O SER A 69 12.206 11.579 2.988 1.00 0.00 O ATOM 973 CB SER A 69 11.183 14.140 4.602 1.00 0.00 C ATOM 974 OG SER A 69 10.513 15.371 4.806 1.00 0.00 O ATOM 0 H SER A 69 9.632 12.448 3.221 1.00 0.00 H new ATOM 0 HA SER A 69 11.442 14.691 2.542 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.670 13.348 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.194 14.201 5.005 1.00 0.00 H new ATOM 0 HG SER A 69 10.487 15.574 5.764 1.00 0.00 H new ATOM 980 N PRO A 70 13.550 13.317 2.494 1.00 0.00 N ATOM 981 CA PRO A 70 14.731 12.495 2.216 1.00 0.00 C ATOM 982 C PRO A 70 15.300 11.852 3.476 1.00 0.00 C ATOM 983 O PRO A 70 15.198 12.408 4.569 1.00 0.00 O ATOM 984 CB PRO A 70 15.729 13.496 1.629 1.00 0.00 C ATOM 985 CG PRO A 70 15.316 14.815 2.186 1.00 0.00 C ATOM 986 CD PRO A 70 13.820 14.755 2.323 1.00 0.00 C ATOM 0 HA PRO A 70 14.501 11.662 1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.752 13.249 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.693 13.498 0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.789 14.997 3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.615 15.629 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.471 15.334 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.319 15.156 1.442 1.00 0.00 H new ATOM 994 N ALA A 71 15.900 10.677 3.316 1.00 0.00 N ATOM 995 CA ALA A 71 16.487 9.959 4.440 1.00 0.00 C ATOM 996 C ALA A 71 15.452 9.707 5.531 1.00 0.00 C ATOM 997 O ALA A 71 15.692 9.986 6.706 1.00 0.00 O ATOM 998 CB ALA A 71 17.671 10.734 5.001 1.00 0.00 C ATOM 0 H ALA A 71 15.992 10.202 2.418 1.00 0.00 H new ATOM 0 HA ALA A 71 16.838 8.992 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.100 10.186 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.426 10.858 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.336 11.714 5.341 1.00 0.00 H new ATOM 1004 N THR A 72 14.298 9.178 5.136 1.00 0.00 N ATOM 1005 CA THR A 72 13.226 8.891 6.079 1.00 0.00 C ATOM 1006 C THR A 72 12.569 7.549 5.774 1.00 0.00 C ATOM 1007 O THR A 72 12.235 7.257 4.625 1.00 0.00 O ATOM 1008 CB THR A 72 12.150 9.992 6.060 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.745 11.264 6.339 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.059 9.701 7.079 1.00 0.00 C ATOM 0 H THR A 72 14.083 8.940 4.168 1.00 0.00 H new ATOM 0 HA THR A 72 13.679 8.854 7.070 1.00 0.00 H new ATOM 0 HB THR A 72 11.700 10.012 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.054 11.959 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.310 10.493 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.588 8.746 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.496 9.655 8.077 1.00 0.00 H new ATOM 1018 N THR A 73 12.388 6.734 6.809 1.00 0.00 N ATOM 1019 CA THR A 73 11.772 5.424 6.651 1.00 0.00 C ATOM 1020 C THR A 73 10.262 5.542 6.480 1.00 0.00 C ATOM 1021 O THR A 73 9.629 6.423 7.062 1.00 0.00 O ATOM 1022 CB THR A 73 12.071 4.513 7.858 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.425 4.696 8.286 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.838 3.053 7.503 1.00 0.00 C ATOM 0 H THR A 73 12.660 6.959 7.766 1.00 0.00 H new ATOM 0 HA THR A 73 12.202 4.979 5.754 1.00 0.00 H new ATOM 0 HB THR A 73 11.395 4.786 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.607 4.115 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.055 2.429 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.799 2.912 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.493 2.770 6.679 1.00 0.00 H new ATOM 1032 N TYR A 74 9.690 4.650 5.679 1.00 0.00 N ATOM 1033 CA TYR A 74 8.254 4.657 5.430 1.00 0.00 C ATOM 1034 C TYR A 74 7.713 3.234 5.321 1.00 0.00 C ATOM 1035 O TYR A 74 8.458 2.294 5.039 1.00 0.00 O ATOM 1036 CB TYR A 74 7.939 5.432 4.150 1.00 0.00 C ATOM 1037 CG TYR A 74 8.243 6.911 4.248 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.338 7.788 4.833 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.434 7.429 3.754 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.612 9.139 4.924 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.716 8.779 3.842 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.801 9.629 4.428 1.00 0.00 C ATOM 1043 OH TYR A 74 9.078 10.975 4.516 1.00 0.00 O ATOM 0 H TYR A 74 10.199 3.913 5.191 1.00 0.00 H new ATOM 0 HA TYR A 74 7.769 5.149 6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.512 5.005 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.885 5.302 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.405 7.407 5.223 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.151 6.766 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.898 9.808 5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.647 9.166 3.454 1.00 0.00 H new ATOM 0 HH TYR A 74 8.926 11.281 5.435 1.00 0.00 H new ATOM 1053 N TYR A 75 6.413 3.084 5.547 1.00 0.00 N ATOM 1054 CA TYR A 75 5.771 1.776 5.477 1.00 0.00 C ATOM 1055 C TYR A 75 4.409 1.873 4.797 1.00 0.00 C ATOM 1056 O TYR A 75 3.713 2.882 4.919 1.00 0.00 O ATOM 1057 CB TYR A 75 5.614 1.186 6.879 1.00 0.00 C ATOM 1058 CG TYR A 75 6.900 1.156 7.672 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.317 2.264 8.399 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.699 0.020 7.693 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.493 2.241 9.124 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.876 -0.013 8.417 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.268 1.101 9.131 1.00 0.00 C ATOM 1064 OH TYR A 75 10.439 1.073 9.852 1.00 0.00 O ATOM 0 H TYR A 75 5.783 3.851 5.780 1.00 0.00 H new ATOM 0 HA TYR A 75 6.406 1.119 4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.873 1.767 7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.225 0.171 6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.712 3.158 8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.395 -0.853 7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.803 3.112 9.682 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.485 -0.905 8.424 1.00 0.00 H new ATOM 0 HH TYR A 75 10.864 0.196 9.751 1.00 0.00 H new ATOM 1074 N CYS A 76 4.035 0.818 4.083 1.00 0.00 N ATOM 1075 CA CYS A 76 2.756 0.783 3.383 1.00 0.00 C ATOM 1076 C CYS A 76 2.165 -0.623 3.399 1.00 0.00 C ATOM 1077 O CYS A 76 2.871 -1.605 3.169 1.00 0.00 O ATOM 1078 CB CYS A 76 2.927 1.261 1.939 1.00 0.00 C ATOM 1079 SG CYS A 76 3.878 0.131 0.895 1.00 0.00 S ATOM 0 H CYS A 76 4.599 -0.025 3.973 1.00 0.00 H new ATOM 0 HA CYS A 76 2.069 1.452 3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.941 1.405 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.419 2.234 1.945 1.00 0.00 H new ATOM 0 HG CYS A 76 3.854 -1.061 1.412 1.00 0.00 H new ATOM 1085 N ARG A 77 0.868 -0.711 3.673 1.00 0.00 N ATOM 1086 CA ARG A 77 0.183 -1.998 3.722 1.00 0.00 C ATOM 1087 C ARG A 77 -1.176 -1.916 3.033 1.00 0.00 C ATOM 1088 O ARG A 77 -1.986 -1.040 3.336 1.00 0.00 O ATOM 1089 CB ARG A 77 0.006 -2.450 5.173 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.658 -1.408 6.058 1.00 0.00 C ATOM 1091 CD ARG A 77 -0.787 -1.896 7.493 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.369 -0.881 8.367 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.809 -1.134 9.594 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.734 -2.360 10.090 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -2.326 -0.156 10.329 1.00 0.00 N ATOM 0 H ARG A 77 0.270 0.093 3.864 1.00 0.00 H new ATOM 0 HA ARG A 77 0.795 -2.729 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.590 -3.362 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.982 -2.699 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.076 -0.487 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.646 -1.170 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.406 -2.793 7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.196 -2.178 7.870 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.441 0.074 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.337 -3.114 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.073 -2.550 11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.385 0.789 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.664 -0.350 11.272 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.418 -2.836 2.105 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.679 -2.869 1.373 1.00 0.00 C ATOM 1111 C VAL A 78 -3.510 -4.088 1.763 1.00 0.00 C ATOM 1112 O VAL A 78 -2.979 -5.186 1.925 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.444 -2.888 -0.150 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.623 -4.105 -0.548 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.771 -2.863 -0.893 1.00 0.00 C ATOM 0 H VAL A 78 -0.758 -3.568 1.842 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.222 -1.962 1.638 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.883 -1.995 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.467 -4.102 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.658 -4.074 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.155 -5.012 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.587 -2.877 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.360 -3.737 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.318 -1.958 -0.630 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.814 -3.884 1.913 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.718 -4.966 2.284 1.00 0.00 C ATOM 1127 C GLN A 79 -6.900 -5.043 1.324 1.00 0.00 C ATOM 1128 O GLN A 79 -7.191 -4.087 0.605 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.220 -4.771 3.716 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.443 -3.874 3.813 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.721 -3.417 5.233 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.671 -2.225 5.535 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.014 -4.367 6.113 1.00 0.00 N ATOM 0 H GLN A 79 -5.268 -2.980 1.783 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.165 -5.903 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.458 -5.744 4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.418 -4.345 4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.300 -3.001 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.312 -4.409 3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.044 -5.343 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.209 -4.121 7.083 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.577 -6.186 1.316 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.729 -6.387 0.446 1.00 0.00 C ATOM 1144 C ALA A 80 -10.031 -6.345 1.238 1.00 0.00 C ATOM 1145 O ALA A 80 -10.158 -6.997 2.276 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.604 -7.708 -0.299 1.00 0.00 C ATOM 0 H ALA A 80 -7.347 -6.988 1.903 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.750 -5.574 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.471 -7.845 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.698 -7.700 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.553 -8.527 0.419 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.994 -5.575 0.744 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.287 -5.448 1.408 1.00 0.00 C ATOM 1154 C LEU A 81 -13.391 -6.096 0.577 1.00 0.00 C ATOM 1155 O LEU A 81 -13.370 -6.040 -0.652 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.615 -3.975 1.652 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.889 -3.310 2.823 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.571 -2.710 2.363 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.770 -2.245 3.460 1.00 0.00 C ATOM 0 H LEU A 81 -10.904 -5.030 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.228 -5.964 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.385 -3.417 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.689 -3.885 1.818 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.674 -4.072 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.069 -2.242 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.936 -3.496 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.761 -1.961 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.238 -1.782 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.016 -1.485 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.688 -2.704 3.827 1.00 0.00 H new ATOM 1171 N SER A 82 -14.355 -6.708 1.258 1.00 0.00 N ATOM 1172 CA SER A 82 -15.467 -7.367 0.584 1.00 0.00 C ATOM 1173 C SER A 82 -16.799 -6.949 1.198 1.00 0.00 C ATOM 1174 O SER A 82 -16.847 -6.103 2.090 1.00 0.00 O ATOM 1175 CB SER A 82 -15.310 -8.887 0.662 1.00 0.00 C ATOM 1176 OG SER A 82 -15.293 -9.328 2.009 1.00 0.00 O ATOM 0 H SER A 82 -14.388 -6.761 2.276 1.00 0.00 H new ATOM 0 HA SER A 82 -15.458 -7.062 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.129 -9.369 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.387 -9.187 0.166 1.00 0.00 H new ATOM 0 HG SER A 82 -14.933 -8.618 2.581 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.882 -7.548 0.711 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.216 -7.240 1.211 1.00 0.00 C ATOM 1184 C VAL A 83 -19.593 -8.154 2.372 1.00 0.00 C ATOM 1185 O VAL A 83 -20.703 -8.081 2.899 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.277 -7.375 0.101 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.085 -6.297 -0.954 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -20.219 -8.760 -0.523 1.00 0.00 C ATOM 0 H VAL A 83 -17.861 -8.249 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.193 -6.207 1.558 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.263 -7.243 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.843 -6.408 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.180 -5.314 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.094 -6.395 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.974 -8.839 -1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.232 -8.923 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.409 -9.512 0.243 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.660 -9.015 2.767 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.892 -9.942 3.868 1.00 0.00 C ATOM 1200 C VAL A 84 -17.885 -9.725 4.992 1.00 0.00 C ATOM 1201 O VAL A 84 -18.137 -10.080 6.142 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.810 -11.406 3.395 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.365 -11.883 3.384 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.668 -12.299 4.278 1.00 0.00 C ATOM 0 H VAL A 84 -17.736 -9.090 2.341 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.896 -9.744 4.242 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.194 -11.463 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.326 -12.919 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.781 -11.259 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.951 -11.813 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.599 -13.330 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.315 -12.239 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.706 -11.969 4.230 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.741 -9.139 4.649 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.713 -8.884 5.640 1.00 0.00 C ATOM 1216 C GLY A 85 -14.555 -8.080 5.082 1.00 0.00 C ATOM 1217 O GLY A 85 -14.637 -7.550 3.975 1.00 0.00 O ATOM 0 H GLY A 85 -16.509 -8.837 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.150 -8.348 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.340 -9.833 6.024 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.475 -7.988 5.851 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.297 -7.244 5.426 1.00 0.00 C ATOM 1223 C ALA A 86 -11.035 -8.089 5.560 1.00 0.00 C ATOM 1224 O ALA A 86 -10.573 -8.362 6.667 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.162 -5.961 6.234 1.00 0.00 C ATOM 0 H ALA A 86 -13.392 -8.420 6.771 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.421 -6.987 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.277 -5.415 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.047 -5.342 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.065 -6.206 7.292 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.482 -8.504 4.423 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.279 -9.315 4.436 1.00 0.00 C ATOM 1233 C GLY A 87 -8.167 -8.691 5.255 1.00 0.00 C ATOM 1234 O GLY A 87 -8.192 -7.501 5.569 1.00 0.00 O ATOM 0 H GLY A 87 -10.846 -8.293 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.513 -10.300 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.933 -9.463 3.413 1.00 0.00 H new ATOM 1238 N PRO A 88 -7.165 -9.506 5.617 1.00 0.00 N ATOM 1239 CA PRO A 88 -6.021 -9.048 6.411 1.00 0.00 C ATOM 1240 C PRO A 88 -5.107 -8.112 5.626 1.00 0.00 C ATOM 1241 O PRO A 88 -5.402 -7.753 4.486 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.286 -10.346 6.755 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.664 -11.295 5.669 1.00 0.00 C ATOM 1244 CD PRO A 88 -7.071 -10.936 5.278 1.00 0.00 C ATOM 0 HA PRO A 88 -6.334 -8.474 7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.207 -10.193 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.586 -10.723 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.988 -11.205 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.606 -12.327 6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.250 -11.110 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.804 -11.528 5.826 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.999 -7.720 6.244 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.042 -6.824 5.603 1.00 0.00 C ATOM 1254 C PHE A 89 -1.844 -7.601 5.067 1.00 0.00 C ATOM 1255 O PHE A 89 -1.425 -8.599 5.654 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.571 -5.755 6.591 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.488 -4.569 6.673 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.482 -3.602 5.679 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.355 -4.418 7.743 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.324 -2.509 5.752 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.200 -3.327 7.821 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.184 -2.371 6.823 1.00 0.00 C ATOM 0 H PHE A 89 -3.741 -8.008 7.188 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.542 -6.339 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.479 -6.202 7.581 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.577 -5.416 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.812 -3.704 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.371 -5.162 8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.309 -1.763 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.872 -3.222 8.660 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.843 -1.517 6.881 1.00 0.00 H new ATOM 1272 N SER A 90 -1.297 -7.136 3.948 1.00 0.00 N ATOM 1273 CA SER A 90 -0.149 -7.789 3.329 1.00 0.00 C ATOM 1274 C SER A 90 1.117 -7.555 4.149 1.00 0.00 C ATOM 1275 O SER A 90 1.084 -6.886 5.182 1.00 0.00 O ATOM 1276 CB SER A 90 0.050 -7.274 1.904 1.00 0.00 C ATOM 1277 OG SER A 90 0.314 -5.881 1.897 1.00 0.00 O ATOM 0 H SER A 90 -1.630 -6.310 3.452 1.00 0.00 H new ATOM 0 HA SER A 90 -0.346 -8.861 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.877 -7.806 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.841 -7.481 1.311 1.00 0.00 H new ATOM 0 HG SER A 90 0.595 -5.606 0.999 1.00 0.00 H new ATOM 1283 N GLU A 91 2.229 -8.109 3.679 1.00 0.00 N ATOM 1284 CA GLU A 91 3.506 -7.961 4.368 1.00 0.00 C ATOM 1285 C GLU A 91 3.993 -6.515 4.306 1.00 0.00 C ATOM 1286 O GLU A 91 4.246 -5.981 3.226 1.00 0.00 O ATOM 1287 CB GLU A 91 4.554 -8.891 3.753 1.00 0.00 C ATOM 1288 CG GLU A 91 4.212 -10.366 3.888 1.00 0.00 C ATOM 1289 CD GLU A 91 5.430 -11.261 3.757 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.224 -11.328 4.718 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.587 -11.894 2.692 1.00 0.00 O ATOM 0 H GLU A 91 2.272 -8.664 2.824 1.00 0.00 H new ATOM 0 HA GLU A 91 3.359 -8.233 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.668 -8.648 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.517 -8.705 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.741 -10.539 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.482 -10.637 3.125 1.00 0.00 H new ATOM 1298 N VAL A 92 4.122 -5.891 5.472 1.00 0.00 N ATOM 1299 CA VAL A 92 4.580 -4.508 5.551 1.00 0.00 C ATOM 1300 C VAL A 92 5.812 -4.286 4.682 1.00 0.00 C ATOM 1301 O VAL A 92 6.859 -4.893 4.905 1.00 0.00 O ATOM 1302 CB VAL A 92 4.909 -4.108 7.002 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.454 -2.689 7.054 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.679 -4.249 7.885 1.00 0.00 C ATOM 0 H VAL A 92 3.916 -6.320 6.374 1.00 0.00 H new ATOM 0 HA VAL A 92 3.765 -3.883 5.186 1.00 0.00 H new ATOM 0 HB VAL A 92 5.678 -4.781 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.681 -2.424 8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.363 -2.626 6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.710 -1.999 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.930 -3.962 8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.886 -3.602 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.338 -5.284 7.872 1.00 0.00 H new ATOM 1314 N VAL A 93 5.679 -3.412 3.689 1.00 0.00 N ATOM 1315 CA VAL A 93 6.783 -3.108 2.786 1.00 0.00 C ATOM 1316 C VAL A 93 7.468 -1.803 3.175 1.00 0.00 C ATOM 1317 O VAL A 93 6.965 -0.717 2.890 1.00 0.00 O ATOM 1318 CB VAL A 93 6.303 -3.007 1.326 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.488 -2.973 0.374 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.373 -4.164 0.990 1.00 0.00 C ATOM 0 H VAL A 93 4.818 -2.902 3.490 1.00 0.00 H new ATOM 0 HA VAL A 93 7.495 -3.929 2.871 1.00 0.00 H new ATOM 0 HB VAL A 93 5.747 -2.077 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.128 -2.902 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.112 -2.109 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.074 -3.884 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.043 -4.077 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.903 -5.107 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.506 -4.138 1.650 1.00 0.00 H new ATOM 1330 N ALA A 94 8.619 -1.917 3.828 1.00 0.00 N ATOM 1331 CA ALA A 94 9.376 -0.746 4.254 1.00 0.00 C ATOM 1332 C ALA A 94 10.113 -0.111 3.079 1.00 0.00 C ATOM 1333 O ALA A 94 10.513 -0.800 2.141 1.00 0.00 O ATOM 1334 CB ALA A 94 10.357 -1.123 5.354 1.00 0.00 C ATOM 0 H ALA A 94 9.048 -2.809 4.074 1.00 0.00 H new ATOM 0 HA ALA A 94 8.672 -0.012 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.915 -0.239 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.810 -1.523 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.049 -1.878 4.981 1.00 0.00 H new ATOM 1340 N CYS A 95 10.288 1.203 3.139 1.00 0.00 N ATOM 1341 CA CYS A 95 10.977 1.933 2.079 1.00 0.00 C ATOM 1342 C CYS A 95 11.556 3.241 2.607 1.00 0.00 C ATOM 1343 O CYS A 95 10.852 4.039 3.225 1.00 0.00 O ATOM 1344 CB CYS A 95 10.018 2.215 0.921 1.00 0.00 C ATOM 1345 SG CYS A 95 8.537 3.137 1.397 1.00 0.00 S ATOM 0 H CYS A 95 9.963 1.786 3.910 1.00 0.00 H new ATOM 0 HA CYS A 95 11.798 1.314 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.549 2.774 0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.715 1.268 0.475 1.00 0.00 H new ATOM 0 HG CYS A 95 7.790 3.328 0.350 1.00 0.00 H new ATOM 1351 N VAL A 96 12.845 3.454 2.358 1.00 0.00 N ATOM 1352 CA VAL A 96 13.519 4.665 2.808 1.00 0.00 C ATOM 1353 C VAL A 96 13.939 5.532 1.626 1.00 0.00 C ATOM 1354 O VAL A 96 14.734 5.112 0.784 1.00 0.00 O ATOM 1355 CB VAL A 96 14.763 4.334 3.654 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.413 5.608 4.170 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.394 3.411 4.805 1.00 0.00 C ATOM 0 H VAL A 96 13.442 2.804 1.847 1.00 0.00 H new ATOM 0 HA VAL A 96 12.806 5.214 3.423 1.00 0.00 H new ATOM 0 HB VAL A 96 15.484 3.818 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.290 5.354 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.715 6.230 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.701 6.155 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.285 3.188 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.654 3.899 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 96 13.978 2.484 4.409 1.00 0.00 H new ATOM 1367 N THR A 97 13.400 6.746 1.568 1.00 0.00 N ATOM 1368 CA THR A 97 13.718 7.673 0.489 1.00 0.00 C ATOM 1369 C THR A 97 15.187 8.075 0.524 1.00 0.00 C ATOM 1370 O THR A 97 15.812 8.142 1.583 1.00 0.00 O ATOM 1371 CB THR A 97 12.848 8.942 0.565 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.104 9.639 1.788 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.370 8.591 0.475 1.00 0.00 C ATOM 0 H THR A 97 12.741 7.110 2.256 1.00 0.00 H new ATOM 0 HA THR A 97 13.509 7.153 -0.446 1.00 0.00 H new ATOM 0 HB THR A 97 13.105 9.583 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.422 10.330 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.775 9.503 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.173 8.087 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.102 7.932 1.301 1.00 0.00 H new ATOM 1381 N PRO A 98 15.755 8.350 -0.660 1.00 0.00 N ATOM 1382 CA PRO A 98 17.159 8.751 -0.791 1.00 0.00 C ATOM 1383 C PRO A 98 17.417 10.146 -0.232 1.00 0.00 C ATOM 1384 O PRO A 98 16.557 11.027 -0.275 1.00 0.00 O ATOM 1385 CB PRO A 98 17.394 8.728 -2.303 1.00 0.00 C ATOM 1386 CG PRO A 98 16.046 8.943 -2.900 1.00 0.00 C ATOM 1387 CD PRO A 98 15.069 8.290 -1.962 1.00 0.00 C ATOM 0 HA PRO A 98 17.825 8.094 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.091 9.509 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.821 7.778 -2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.832 10.006 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.985 8.503 -3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.117 8.821 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.854 7.263 -2.256 1.00 0.00 H new ATOM 1395 N PRO A 99 18.627 10.356 0.304 1.00 0.00 N ATOM 1396 CA PRO A 99 19.027 11.643 0.881 1.00 0.00 C ATOM 1397 C PRO A 99 19.203 12.723 -0.181 1.00 0.00 C ATOM 1398 O PRO A 99 19.758 12.471 -1.250 1.00 0.00 O ATOM 1399 CB PRO A 99 20.367 11.331 1.553 1.00 0.00 C ATOM 1400 CG PRO A 99 20.900 10.157 0.806 1.00 0.00 C ATOM 1401 CD PRO A 99 19.701 9.351 0.389 1.00 0.00 C ATOM 0 HA PRO A 99 18.274 12.035 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.047 12.181 1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.236 11.101 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.477 10.476 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.568 9.566 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.863 8.855 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.467 8.573 1.116 1.00 0.00 H new ATOM 1409 N SER A 100 18.727 13.928 0.122 1.00 0.00 N ATOM 1410 CA SER A 100 18.830 15.046 -0.808 1.00 0.00 C ATOM 1411 C SER A 100 20.046 15.909 -0.487 1.00 0.00 C ATOM 1412 O SER A 100 20.889 16.158 -1.350 1.00 0.00 O ATOM 1413 CB SER A 100 17.559 15.896 -0.758 1.00 0.00 C ATOM 1414 OG SER A 100 17.510 16.805 -1.843 1.00 0.00 O ATOM 0 H SER A 100 18.267 14.154 1.004 1.00 0.00 H new ATOM 0 HA SER A 100 18.949 14.642 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.683 15.248 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.522 16.445 0.183 1.00 0.00 H new ATOM 0 HG SER A 100 16.687 17.335 -1.789 1.00 0.00 H new ATOM 1420 N SER A 101 20.129 16.365 0.758 1.00 0.00 N ATOM 1421 CA SER A 101 21.240 17.204 1.194 1.00 0.00 C ATOM 1422 C SER A 101 22.539 16.405 1.240 1.00 0.00 C ATOM 1423 O SER A 101 22.789 15.660 2.186 1.00 0.00 O ATOM 1424 CB SER A 101 20.946 17.801 2.571 1.00 0.00 C ATOM 1425 OG SER A 101 21.910 18.779 2.919 1.00 0.00 O ATOM 0 H SER A 101 19.440 16.168 1.484 1.00 0.00 H new ATOM 0 HA SER A 101 21.357 18.013 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.952 18.249 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 101 20.940 17.009 3.320 1.00 0.00 H new ATOM 0 HG SER A 101 21.699 19.146 3.803 1.00 0.00 H new ATOM 1431 N GLY A 102 23.362 16.567 0.208 1.00 0.00 N ATOM 1432 CA GLY A 102 24.625 15.855 0.149 1.00 0.00 C ATOM 1433 C GLY A 102 25.591 16.469 -0.845 1.00 0.00 C ATOM 1434 O GLY A 102 25.194 17.158 -1.784 1.00 0.00 O ATOM 0 H GLY A 102 23.177 17.178 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 102 25.082 15.849 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 102 24.440 14.816 -0.123 1.00 0.00 H new ATOM 1438 N PRO A 103 26.893 16.221 -0.642 1.00 0.00 N ATOM 1439 CA PRO A 103 27.946 16.746 -1.516 1.00 0.00 C ATOM 1440 C PRO A 103 27.935 16.091 -2.894 1.00 0.00 C ATOM 1441 O PRO A 103 28.739 16.435 -3.761 1.00 0.00 O ATOM 1442 CB PRO A 103 29.235 16.399 -0.769 1.00 0.00 C ATOM 1443 CG PRO A 103 28.880 15.222 0.071 1.00 0.00 C ATOM 1444 CD PRO A 103 27.439 15.407 0.458 1.00 0.00 C ATOM 0 HA PRO A 103 27.823 17.812 -1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.043 16.162 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.575 17.234 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 103 29.019 14.293 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 103 29.517 15.167 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.921 14.452 0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.342 15.913 1.419 1.00 0.00 H new ATOM 1452 N SER A 104 27.020 15.147 -3.087 1.00 0.00 N ATOM 1453 CA SER A 104 26.908 14.442 -4.359 1.00 0.00 C ATOM 1454 C SER A 104 26.015 15.210 -5.330 1.00 0.00 C ATOM 1455 O SER A 104 26.346 15.364 -6.505 1.00 0.00 O ATOM 1456 CB SER A 104 26.348 13.035 -4.138 1.00 0.00 C ATOM 1457 OG SER A 104 26.254 12.326 -5.362 1.00 0.00 O ATOM 0 H SER A 104 26.346 14.853 -2.380 1.00 0.00 H new ATOM 0 HA SER A 104 27.905 14.365 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 104 26.990 12.489 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 104 25.363 13.100 -3.675 1.00 0.00 H new ATOM 0 HG SER A 104 25.895 11.430 -5.194 1.00 0.00 H new ATOM 1463 N SER A 105 24.882 15.690 -4.828 1.00 0.00 N ATOM 1464 CA SER A 105 23.939 16.439 -5.651 1.00 0.00 C ATOM 1465 C SER A 105 24.285 17.925 -5.659 1.00 0.00 C ATOM 1466 O SER A 105 24.130 18.615 -4.652 1.00 0.00 O ATOM 1467 CB SER A 105 22.511 16.239 -5.137 1.00 0.00 C ATOM 1468 OG SER A 105 22.415 16.559 -3.760 1.00 0.00 O ATOM 0 H SER A 105 24.595 15.574 -3.856 1.00 0.00 H new ATOM 0 HA SER A 105 24.007 16.063 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 105 21.825 16.865 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.206 15.205 -5.295 1.00 0.00 H new ATOM 0 HG SER A 105 22.941 17.365 -3.574 1.00 0.00 H new ATOM 1474 N GLY A 106 24.757 18.410 -6.803 1.00 0.00 N ATOM 1475 CA GLY A 106 25.119 19.810 -6.923 1.00 0.00 C ATOM 1476 C GLY A 106 26.539 20.001 -7.415 1.00 0.00 C ATOM 1477 O GLY A 106 26.921 21.101 -7.816 1.00 0.00 O ATOM 0 H GLY A 106 24.895 17.858 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 106 24.430 20.303 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 106 25.005 20.296 -5.954 1.00 0.00 H new TER 1481 GLY A 106