USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 41 SER OG : rot 74:sc= 0.104 USER MOD Set 1.2: A 57 CYS SG : rot 170:sc= -0.517! USER MOD Set 2.1: A 32 SER OG : rot -68:sc= -0.187 USER MOD Set 2.2: A 72 HIS : no HE2:sc= -0.731 K(o=-0.92,f=-1.6) USER MOD Set 3.1: A 27 TYR OH : rot 168:sc=0.000363 USER MOD Set 3.2: A 68 GLN : amide:sc= 0 X(o=0.00036,f=0) USER MOD Set 4.1: A 8 ASN : amide:sc= -6.37! C(o=-9.7!,f=-15!) USER MOD Set 4.2: A 19 GLN : amide:sc= -3.33! C(o=-9.7!,f=-19!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.11 (180deg=-0.584) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : A 18 SER OG : rot -6:sc= 1.02 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -8.01! C(o=-8!,f=-16!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0.122 (180deg=0.0992) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.161 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0718) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -14.452 10.694 12.052 1.00 0.00 N ATOM 2 CA GLU A 3 -13.862 12.017 11.702 1.00 0.00 C ATOM 3 C GLU A 3 -12.554 11.801 10.941 1.00 0.00 C ATOM 4 O GLU A 3 -12.008 12.709 10.347 1.00 0.00 O ATOM 5 CB GLU A 3 -13.587 12.813 12.982 1.00 0.00 C ATOM 6 CG GLU A 3 -12.798 11.947 13.966 1.00 0.00 C ATOM 7 CD GLU A 3 -12.323 12.808 15.138 1.00 0.00 C ATOM 8 OE1 GLU A 3 -11.520 13.698 14.906 1.00 0.00 O ATOM 9 OE2 GLU A 3 -12.768 12.563 16.247 1.00 0.00 O ATOM 0 HA GLU A 3 -14.560 12.574 11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.025 13.717 12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.527 13.130 13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.422 11.131 14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.943 11.494 13.464 1.00 0.00 H new ATOM 16 N LYS A 4 -12.048 10.599 10.959 1.00 0.00 N ATOM 17 CA LYS A 4 -10.777 10.305 10.241 1.00 0.00 C ATOM 18 C LYS A 4 -11.085 9.913 8.797 1.00 0.00 C ATOM 19 O LYS A 4 -12.193 10.067 8.323 1.00 0.00 O ATOM 20 CB LYS A 4 -10.052 9.159 10.957 1.00 0.00 C ATOM 21 CG LYS A 4 -9.972 9.474 12.457 1.00 0.00 C ATOM 22 CD LYS A 4 -8.846 8.668 13.111 1.00 0.00 C ATOM 23 CE LYS A 4 -9.003 7.184 12.777 1.00 0.00 C ATOM 24 NZ LYS A 4 -8.179 6.378 13.724 1.00 0.00 N ATOM 0 H LYS A 4 -12.463 9.803 11.443 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.139 11.189 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.583 8.221 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.051 9.032 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.797 10.540 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.922 9.239 12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.879 9.028 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.866 8.810 14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.051 6.892 12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.688 6.995 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.282 5.368 13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.180 6.652 13.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.500 6.552 14.698 1.00 0.00 H new ATOM 38 N ARG A 5 -10.115 9.400 8.094 1.00 0.00 N ATOM 39 CA ARG A 5 -10.352 8.994 6.680 1.00 0.00 C ATOM 40 C ARG A 5 -11.016 7.611 6.679 1.00 0.00 C ATOM 41 O ARG A 5 -10.534 6.681 7.295 1.00 0.00 O ATOM 42 CB ARG A 5 -9.003 8.937 5.929 1.00 0.00 C ATOM 43 CG ARG A 5 -8.634 10.316 5.342 1.00 0.00 C ATOM 44 CD ARG A 5 -8.083 11.231 6.443 1.00 0.00 C ATOM 45 NE ARG A 5 -8.080 12.659 5.967 1.00 0.00 N ATOM 46 CZ ARG A 5 -7.472 13.015 4.861 1.00 0.00 C ATOM 47 NH1 ARG A 5 -6.686 12.184 4.236 1.00 0.00 N ATOM 48 NH2 ARG A 5 -7.606 14.236 4.412 1.00 0.00 N ATOM 0 H ARG A 5 -9.167 9.244 8.437 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.000 9.714 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.218 8.606 6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.061 8.201 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.891 10.196 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.513 10.772 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.692 11.139 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.071 10.925 6.710 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.563 13.368 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.538 11.245 4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.219 12.473 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.181 14.907 4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.135 14.518 3.552 1.00 0.00 H new ATOM 62 N ARG A 6 -12.132 7.480 5.999 1.00 0.00 N ATOM 63 CA ARG A 6 -12.863 6.171 5.954 1.00 0.00 C ATOM 64 C ARG A 6 -13.177 5.809 4.497 1.00 0.00 C ATOM 65 O ARG A 6 -13.610 6.634 3.717 1.00 0.00 O ATOM 66 CB ARG A 6 -14.166 6.305 6.761 1.00 0.00 C ATOM 67 CG ARG A 6 -15.084 5.097 6.511 1.00 0.00 C ATOM 68 CD ARG A 6 -16.151 4.993 7.627 1.00 0.00 C ATOM 69 NE ARG A 6 -17.453 4.503 7.054 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.084 5.162 6.119 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.658 6.335 5.741 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.164 4.659 5.585 1.00 0.00 N ATOM 0 H ARG A 6 -12.572 8.232 5.468 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.247 5.382 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.936 6.380 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.681 7.224 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.571 5.196 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.492 4.182 6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.808 4.312 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.294 5.967 8.095 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.854 3.633 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.829 6.741 6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.153 6.846 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.513 3.753 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.658 5.172 4.855 1.00 0.00 H new ATOM 86 N ASP A 7 -12.956 4.574 4.129 1.00 0.00 N ATOM 87 CA ASP A 7 -13.230 4.140 2.726 1.00 0.00 C ATOM 88 C ASP A 7 -14.728 4.238 2.438 1.00 0.00 C ATOM 89 O ASP A 7 -15.536 4.374 3.334 1.00 0.00 O ATOM 90 CB ASP A 7 -12.759 2.693 2.540 1.00 0.00 C ATOM 91 CG ASP A 7 -13.444 1.791 3.567 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.139 2.319 4.419 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.264 0.587 3.482 1.00 0.00 O ATOM 0 H ASP A 7 -12.596 3.843 4.743 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.692 4.788 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.990 2.352 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.677 2.635 2.656 1.00 0.00 H new ATOM 98 N ASN A 8 -15.102 4.177 1.190 1.00 0.00 N ATOM 99 CA ASN A 8 -16.545 4.274 0.837 1.00 0.00 C ATOM 100 C ASN A 8 -17.309 3.088 1.440 1.00 0.00 C ATOM 101 O ASN A 8 -18.522 3.026 1.371 1.00 0.00 O ATOM 102 CB ASN A 8 -16.697 4.262 -0.692 1.00 0.00 C ATOM 103 CG ASN A 8 -16.210 2.923 -1.252 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.494 1.884 -0.702 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.486 2.901 -2.340 1.00 0.00 N ATOM 0 H ASN A 8 -14.469 4.064 0.398 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.953 5.202 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.740 4.422 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.124 5.079 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.164 2.011 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.243 3.774 -2.809 1.00 0.00 H new ATOM 112 N ARG A 9 -16.613 2.139 2.017 1.00 0.00 N ATOM 113 CA ARG A 9 -17.298 0.948 2.608 1.00 0.00 C ATOM 114 C ARG A 9 -17.504 1.150 4.110 1.00 0.00 C ATOM 115 O ARG A 9 -18.599 1.416 4.564 1.00 0.00 O ATOM 116 CB ARG A 9 -16.427 -0.301 2.376 1.00 0.00 C ATOM 117 CG ARG A 9 -16.630 -0.826 0.950 1.00 0.00 C ATOM 118 CD ARG A 9 -15.982 -2.203 0.797 1.00 0.00 C ATOM 119 NE ARG A 9 -16.155 -2.665 -0.607 1.00 0.00 N ATOM 120 CZ ARG A 9 -15.402 -3.615 -1.087 1.00 0.00 C ATOM 121 NH1 ARG A 9 -14.503 -4.188 -0.334 1.00 0.00 N ATOM 122 NH2 ARG A 9 -15.550 -3.991 -2.325 1.00 0.00 N ATOM 0 H ARG A 9 -15.597 2.138 2.104 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.270 0.820 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.377 -0.057 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.688 -1.075 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.695 -0.890 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.195 -0.130 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.923 -2.151 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.439 -2.913 1.486 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.867 -2.236 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.387 -3.893 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.917 -4.931 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.252 -3.543 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.964 -4.734 -2.706 1.00 0.00 H new ATOM 136 N GLY A 10 -16.470 1.012 4.888 1.00 0.00 N ATOM 137 CA GLY A 10 -16.631 1.186 6.360 1.00 0.00 C ATOM 138 C GLY A 10 -15.306 0.931 7.090 1.00 0.00 C ATOM 139 O GLY A 10 -15.228 1.049 8.297 1.00 0.00 O ATOM 0 H GLY A 10 -15.526 0.788 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.980 2.196 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.393 0.500 6.730 1.00 0.00 H new ATOM 143 N ARG A 11 -14.261 0.585 6.384 1.00 0.00 N ATOM 144 CA ARG A 11 -12.953 0.333 7.057 1.00 0.00 C ATOM 145 C ARG A 11 -12.215 1.661 7.217 1.00 0.00 C ATOM 146 O ARG A 11 -12.134 2.448 6.296 1.00 0.00 O ATOM 147 CB ARG A 11 -12.116 -0.620 6.202 1.00 0.00 C ATOM 148 CG ARG A 11 -12.920 -1.901 5.953 1.00 0.00 C ATOM 149 CD ARG A 11 -12.041 -2.973 5.273 1.00 0.00 C ATOM 150 NE ARG A 11 -12.842 -3.687 4.227 1.00 0.00 N ATOM 151 CZ ARG A 11 -14.056 -4.110 4.479 1.00 0.00 C ATOM 152 NH1 ARG A 11 -14.530 -4.073 5.692 1.00 0.00 N ATOM 153 NH2 ARG A 11 -14.783 -4.622 3.524 1.00 0.00 N ATOM 0 H ARG A 11 -14.257 0.466 5.371 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.119 -0.116 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.857 -0.147 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.179 -0.855 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.304 -2.285 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.783 -1.679 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.166 -2.507 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.676 -3.684 6.015 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.436 -3.846 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.955 -3.713 6.454 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.476 -4.404 5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.406 -4.694 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.728 -4.951 3.723 1.00 0.00 H new ATOM 167 N ILE A 12 -11.685 1.925 8.379 1.00 0.00 N ATOM 168 CA ILE A 12 -10.965 3.212 8.584 1.00 0.00 C ATOM 169 C ILE A 12 -9.553 3.103 8.001 1.00 0.00 C ATOM 170 O ILE A 12 -8.747 2.307 8.440 1.00 0.00 O ATOM 171 CB ILE A 12 -10.896 3.525 10.085 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.324 3.694 10.659 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.080 4.804 10.299 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.848 5.127 10.442 1.00 0.00 C ATOM 0 H ILE A 12 -11.719 1.309 9.191 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.497 4.018 8.078 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.411 2.700 10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.997 2.982 10.181 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.320 3.463 11.724 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.029 5.029 11.364 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.072 4.662 9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.558 5.632 9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.853 5.214 10.856 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.187 5.836 10.942 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.875 5.347 9.375 1.00 0.00 H new ATOM 186 N LEU A 13 -9.253 3.900 7.007 1.00 0.00 N ATOM 187 CA LEU A 13 -7.897 3.850 6.376 1.00 0.00 C ATOM 188 C LEU A 13 -6.950 4.799 7.112 1.00 0.00 C ATOM 189 O LEU A 13 -7.364 5.797 7.668 1.00 0.00 O ATOM 190 CB LEU A 13 -7.996 4.299 4.914 1.00 0.00 C ATOM 191 CG LEU A 13 -8.916 3.361 4.123 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.047 3.886 2.690 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.331 1.935 4.106 1.00 0.00 C ATOM 0 H LEU A 13 -9.891 4.586 6.603 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.518 2.829 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.379 5.318 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.004 4.310 4.463 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.898 3.329 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.700 3.226 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.472 4.890 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.063 3.917 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.992 1.277 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.348 1.951 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.239 1.567 5.128 1.00 0.00 H new ATOM 205 N LYS A 14 -5.676 4.498 7.113 1.00 0.00 N ATOM 206 CA LYS A 14 -4.698 5.388 7.807 1.00 0.00 C ATOM 207 C LYS A 14 -4.203 6.466 6.833 1.00 0.00 C ATOM 208 O LYS A 14 -4.519 6.455 5.659 1.00 0.00 O ATOM 209 CB LYS A 14 -3.515 4.555 8.313 1.00 0.00 C ATOM 210 CG LYS A 14 -4.024 3.186 8.789 1.00 0.00 C ATOM 211 CD LYS A 14 -2.959 2.492 9.660 1.00 0.00 C ATOM 212 CE LYS A 14 -3.109 2.923 11.125 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.373 2.361 11.681 1.00 0.00 N ATOM 0 H LYS A 14 -5.272 3.676 6.664 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.183 5.870 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.780 4.426 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.014 5.073 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.945 3.311 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.264 2.561 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.062 1.410 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.962 2.745 9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.256 2.574 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.120 4.011 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.271 2.226 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.157 3.019 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.574 1.446 11.230 1.00 0.00 H new ATOM 227 N THR A 15 -3.436 7.400 7.321 1.00 0.00 N ATOM 228 CA THR A 15 -2.918 8.495 6.442 1.00 0.00 C ATOM 229 C THR A 15 -2.138 7.913 5.256 1.00 0.00 C ATOM 230 O THR A 15 -1.370 6.983 5.401 1.00 0.00 O ATOM 231 CB THR A 15 -1.996 9.416 7.248 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.614 9.739 8.486 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.751 10.700 6.454 1.00 0.00 C ATOM 0 H THR A 15 -3.142 7.456 8.296 1.00 0.00 H new ATOM 0 HA THR A 15 -3.768 9.062 6.063 1.00 0.00 H new ATOM 0 HB THR A 15 -1.048 8.912 7.436 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.024 10.327 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.095 11.360 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.282 10.455 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.701 11.202 6.272 1.00 0.00 H new ATOM 241 N GLY A 16 -2.313 8.476 4.084 1.00 0.00 N ATOM 242 CA GLY A 16 -1.570 7.983 2.881 1.00 0.00 C ATOM 243 C GLY A 16 -2.431 7.001 2.082 1.00 0.00 C ATOM 244 O GLY A 16 -2.472 7.048 0.870 1.00 0.00 O ATOM 0 H GLY A 16 -2.942 9.260 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.289 8.826 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.646 7.496 3.192 1.00 0.00 H new ATOM 248 N GLU A 17 -3.123 6.112 2.740 1.00 0.00 N ATOM 249 CA GLU A 17 -3.974 5.147 1.993 1.00 0.00 C ATOM 250 C GLU A 17 -5.198 5.874 1.428 1.00 0.00 C ATOM 251 O GLU A 17 -5.670 6.843 1.989 1.00 0.00 O ATOM 252 CB GLU A 17 -4.432 4.033 2.937 1.00 0.00 C ATOM 253 CG GLU A 17 -3.276 3.069 3.210 1.00 0.00 C ATOM 254 CD GLU A 17 -3.719 2.032 4.244 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.442 1.122 3.870 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.331 2.163 5.395 1.00 0.00 O ATOM 0 H GLU A 17 -3.136 6.013 3.755 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.399 4.715 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.787 4.462 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.270 3.493 2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.974 2.574 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.408 3.617 3.576 1.00 0.00 H new ATOM 263 N SER A 18 -5.721 5.412 0.322 1.00 0.00 N ATOM 264 CA SER A 18 -6.916 6.076 -0.280 1.00 0.00 C ATOM 265 C SER A 18 -7.660 5.079 -1.176 1.00 0.00 C ATOM 266 O SER A 18 -7.052 4.302 -1.886 1.00 0.00 O ATOM 267 CB SER A 18 -6.458 7.270 -1.116 1.00 0.00 C ATOM 268 OG SER A 18 -5.935 8.270 -0.254 1.00 0.00 O ATOM 0 H SER A 18 -5.372 4.603 -0.191 1.00 0.00 H new ATOM 0 HA SER A 18 -7.584 6.416 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.699 6.957 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.294 7.669 -1.691 1.00 0.00 H new ATOM 0 HG SER A 18 -6.077 8.005 0.679 1.00 0.00 H new ATOM 274 N GLN A 19 -8.973 5.089 -1.148 1.00 0.00 N ATOM 275 CA GLN A 19 -9.760 4.136 -2.002 1.00 0.00 C ATOM 276 C GLN A 19 -10.300 4.865 -3.235 1.00 0.00 C ATOM 277 O GLN A 19 -10.728 5.999 -3.162 1.00 0.00 O ATOM 278 CB GLN A 19 -10.942 3.573 -1.208 1.00 0.00 C ATOM 279 CG GLN A 19 -11.656 2.517 -2.060 1.00 0.00 C ATOM 280 CD GLN A 19 -12.796 1.886 -1.262 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.621 2.582 -0.705 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.885 0.587 -1.194 1.00 0.00 N ATOM 0 H GLN A 19 -9.535 5.715 -0.571 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.103 3.323 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.593 3.131 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.633 4.373 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.047 2.975 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.948 1.748 -2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.192 0.003 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.648 0.155 -0.673 1.00 0.00 H new ATOM 291 N ARG A 20 -10.285 4.213 -4.369 1.00 0.00 N ATOM 292 CA ARG A 20 -10.799 4.850 -5.618 1.00 0.00 C ATOM 293 C ARG A 20 -12.283 4.541 -5.802 1.00 0.00 C ATOM 294 O ARG A 20 -12.866 3.757 -5.081 1.00 0.00 O ATOM 295 CB ARG A 20 -10.026 4.306 -6.814 1.00 0.00 C ATOM 296 CG ARG A 20 -8.555 4.691 -6.665 1.00 0.00 C ATOM 297 CD ARG A 20 -7.775 4.304 -7.926 1.00 0.00 C ATOM 298 NE ARG A 20 -6.480 5.060 -7.962 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.448 6.364 -8.012 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.547 7.045 -8.199 1.00 0.00 N ATOM 301 NH2 ARG A 20 -5.306 6.987 -7.922 1.00 0.00 N ATOM 0 H ARG A 20 -9.937 3.261 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.667 5.929 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.129 3.222 -6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.430 4.712 -7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.468 5.763 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.127 4.191 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.583 3.231 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.365 4.528 -8.815 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.602 4.542 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.437 6.558 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.515 8.064 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.442 6.455 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.276 8.006 -7.961 1.00 0.00 H new ATOM 315 N LYS A 21 -12.893 5.151 -6.782 1.00 0.00 N ATOM 316 CA LYS A 21 -14.335 4.898 -7.045 1.00 0.00 C ATOM 317 C LYS A 21 -14.512 3.434 -7.453 1.00 0.00 C ATOM 318 O LYS A 21 -15.594 2.883 -7.388 1.00 0.00 O ATOM 319 CB LYS A 21 -14.814 5.804 -8.189 1.00 0.00 C ATOM 320 CG LYS A 21 -14.371 7.271 -7.939 1.00 0.00 C ATOM 321 CD LYS A 21 -13.177 7.624 -8.841 1.00 0.00 C ATOM 322 CE LYS A 21 -12.540 8.931 -8.368 1.00 0.00 C ATOM 323 NZ LYS A 21 -11.318 9.204 -9.173 1.00 0.00 N ATOM 0 H LYS A 21 -12.450 5.817 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.917 5.110 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.406 5.451 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.900 5.754 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.201 7.949 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.097 7.403 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.441 6.820 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.507 7.723 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.249 9.753 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.285 8.862 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.883 10.093 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.641 8.424 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.575 9.286 -10.177 1.00 0.00 H new ATOM 337 N ASP A 22 -13.453 2.801 -7.882 1.00 0.00 N ATOM 338 CA ASP A 22 -13.558 1.373 -8.304 1.00 0.00 C ATOM 339 C ASP A 22 -13.428 0.461 -7.079 1.00 0.00 C ATOM 340 O ASP A 22 -13.683 -0.723 -7.147 1.00 0.00 O ATOM 341 CB ASP A 22 -12.442 1.063 -9.304 1.00 0.00 C ATOM 342 CG ASP A 22 -12.702 1.830 -10.602 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.781 1.681 -11.148 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.819 2.560 -11.023 1.00 0.00 O ATOM 0 H ASP A 22 -12.521 3.209 -7.959 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.526 1.199 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.475 1.346 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.402 -0.008 -9.502 1.00 0.00 H new ATOM 349 N GLY A 23 -13.061 1.009 -5.950 1.00 0.00 N ATOM 350 CA GLY A 23 -12.948 0.180 -4.709 1.00 0.00 C ATOM 351 C GLY A 23 -11.505 -0.276 -4.485 1.00 0.00 C ATOM 352 O GLY A 23 -11.106 -0.542 -3.369 1.00 0.00 O ATOM 0 H GLY A 23 -12.834 1.996 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.289 0.757 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.600 -0.690 -4.788 1.00 0.00 H new ATOM 356 N ARG A 24 -10.713 -0.375 -5.518 1.00 0.00 N ATOM 357 CA ARG A 24 -9.307 -0.822 -5.311 1.00 0.00 C ATOM 358 C ARG A 24 -8.581 0.188 -4.417 1.00 0.00 C ATOM 359 O ARG A 24 -8.742 1.385 -4.552 1.00 0.00 O ATOM 360 CB ARG A 24 -8.594 -0.955 -6.659 1.00 0.00 C ATOM 361 CG ARG A 24 -8.639 0.366 -7.415 1.00 0.00 C ATOM 362 CD ARG A 24 -7.849 0.216 -8.714 1.00 0.00 C ATOM 363 NE ARG A 24 -8.572 -0.707 -9.634 1.00 0.00 N ATOM 364 CZ ARG A 24 -8.231 -0.768 -10.892 1.00 0.00 C ATOM 365 NH1 ARG A 24 -7.238 -0.044 -11.332 1.00 0.00 N ATOM 366 NH2 ARG A 24 -8.878 -1.556 -11.706 1.00 0.00 N ATOM 0 H ARG A 24 -10.974 -0.169 -6.482 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.303 -1.797 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.558 -1.256 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.067 -1.737 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.671 0.643 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.216 1.164 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.719 1.189 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.852 -0.171 -8.503 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.331 -1.289 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.730 0.568 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.970 -0.090 -12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.651 -2.124 -11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.611 -1.604 -12.689 1.00 0.00 H new ATOM 380 N TYR A 25 -7.799 -0.289 -3.488 1.00 0.00 N ATOM 381 CA TYR A 25 -7.083 0.634 -2.564 1.00 0.00 C ATOM 382 C TYR A 25 -5.812 1.175 -3.225 1.00 0.00 C ATOM 383 O TYR A 25 -5.370 0.689 -4.247 1.00 0.00 O ATOM 384 CB TYR A 25 -6.720 -0.126 -1.290 1.00 0.00 C ATOM 385 CG TYR A 25 -7.982 -0.686 -0.661 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.987 0.180 -0.208 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.149 -2.073 -0.533 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.154 -0.338 0.369 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.318 -2.588 0.045 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.319 -1.721 0.495 1.00 0.00 C ATOM 391 OH TYR A 25 -11.471 -2.230 1.062 1.00 0.00 O ATOM 0 H TYR A 25 -7.625 -1.281 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.731 1.477 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.026 -0.934 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.215 0.538 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.861 1.248 -0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.377 -2.744 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.927 0.331 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.446 -3.656 0.143 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.426 -3.209 1.072 1.00 0.00 H new ATOM 401 N LEU A 26 -5.230 2.192 -2.642 1.00 0.00 N ATOM 402 CA LEU A 26 -3.992 2.797 -3.219 1.00 0.00 C ATOM 403 C LEU A 26 -3.165 3.461 -2.110 1.00 0.00 C ATOM 404 O LEU A 26 -3.694 4.130 -1.243 1.00 0.00 O ATOM 405 CB LEU A 26 -4.394 3.858 -4.257 1.00 0.00 C ATOM 406 CG LEU A 26 -3.155 4.695 -4.692 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.198 4.949 -6.201 1.00 0.00 C ATOM 408 CD2 LEU A 26 -3.140 6.054 -3.963 1.00 0.00 C ATOM 0 H LEU A 26 -5.562 2.632 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.393 2.018 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.837 3.374 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.155 4.516 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.257 4.133 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.328 5.535 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.191 3.996 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.106 5.497 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.268 6.626 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.046 6.608 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.096 5.889 -2.886 1.00 0.00 H new ATOM 420 N TYR A 27 -1.865 3.302 -2.150 1.00 0.00 N ATOM 421 CA TYR A 27 -0.971 3.938 -1.127 1.00 0.00 C ATOM 422 C TYR A 27 0.197 4.607 -1.859 1.00 0.00 C ATOM 423 O TYR A 27 0.614 4.164 -2.909 1.00 0.00 O ATOM 424 CB TYR A 27 -0.448 2.870 -0.158 1.00 0.00 C ATOM 425 CG TYR A 27 0.507 3.487 0.843 1.00 0.00 C ATOM 426 CD1 TYR A 27 0.024 4.357 1.831 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.873 3.170 0.802 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.904 4.908 2.772 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.750 3.725 1.745 1.00 0.00 C ATOM 430 CZ TYR A 27 2.264 4.592 2.729 1.00 0.00 C ATOM 431 OH TYR A 27 3.127 5.136 3.659 1.00 0.00 O ATOM 0 H TYR A 27 -1.377 2.752 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.523 4.682 -0.552 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.283 2.405 0.366 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.058 2.081 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.027 4.603 1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.249 2.499 0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.530 5.578 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.802 3.483 1.711 1.00 0.00 H new ATOM 0 HH TYR A 27 3.991 4.676 3.612 1.00 0.00 H new ATOM 441 N LYS A 28 0.710 5.687 -1.322 1.00 0.00 N ATOM 442 CA LYS A 28 1.841 6.416 -1.985 1.00 0.00 C ATOM 443 C LYS A 28 3.088 6.341 -1.104 1.00 0.00 C ATOM 444 O LYS A 28 3.019 6.483 0.101 1.00 0.00 O ATOM 445 CB LYS A 28 1.449 7.891 -2.154 1.00 0.00 C ATOM 446 CG LYS A 28 2.518 8.637 -2.967 1.00 0.00 C ATOM 447 CD LYS A 28 2.356 10.143 -2.756 1.00 0.00 C ATOM 448 CE LYS A 28 3.270 10.902 -3.719 1.00 0.00 C ATOM 449 NZ LYS A 28 3.398 12.315 -3.265 1.00 0.00 N ATOM 0 H LYS A 28 0.392 6.100 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 28 2.047 5.962 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.484 7.963 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.334 8.358 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.514 8.320 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.421 8.394 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.318 10.433 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.601 10.404 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.252 10.429 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.862 10.868 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.019 12.834 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.459 12.762 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.806 12.337 -2.308 1.00 0.00 H new ATOM 463 N TYR A 29 4.236 6.142 -1.700 1.00 0.00 N ATOM 464 CA TYR A 29 5.498 6.086 -0.904 1.00 0.00 C ATOM 465 C TYR A 29 6.641 6.684 -1.733 1.00 0.00 C ATOM 466 O TYR A 29 6.510 6.900 -2.920 1.00 0.00 O ATOM 467 CB TYR A 29 5.796 4.637 -0.500 1.00 0.00 C ATOM 468 CG TYR A 29 6.367 3.850 -1.656 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.576 3.591 -2.780 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.679 3.363 -1.593 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.098 2.845 -3.845 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.199 2.617 -2.654 1.00 0.00 C ATOM 473 CZ TYR A 29 7.409 2.358 -3.782 1.00 0.00 C ATOM 474 OH TYR A 29 7.920 1.621 -4.831 1.00 0.00 O ATOM 0 H TYR A 29 4.353 6.016 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 29 5.391 6.670 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.500 4.627 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.881 4.160 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.564 3.966 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.289 3.564 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.489 2.646 -4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.210 2.240 -2.605 1.00 0.00 H new ATOM 0 HH TYR A 29 8.843 1.360 -4.629 1.00 0.00 H new ATOM 484 N ILE A 30 7.754 6.976 -1.108 1.00 0.00 N ATOM 485 CA ILE A 30 8.908 7.588 -1.845 1.00 0.00 C ATOM 486 C ILE A 30 9.981 6.529 -2.092 1.00 0.00 C ATOM 487 O ILE A 30 10.343 5.787 -1.200 1.00 0.00 O ATOM 488 CB ILE A 30 9.512 8.707 -0.991 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.404 9.658 -0.506 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.542 9.488 -1.811 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.600 10.209 -1.692 1.00 0.00 C ATOM 0 H ILE A 30 7.916 6.817 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 30 8.557 7.986 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 30 10.004 8.264 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.738 9.130 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.846 10.482 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.968 10.282 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.335 8.815 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.057 9.924 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.822 10.879 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.265 10.757 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.141 9.383 -2.235 1.00 0.00 H new ATOM 503 N ASP A 31 10.510 6.452 -3.286 1.00 0.00 N ATOM 504 CA ASP A 31 11.571 5.441 -3.554 1.00 0.00 C ATOM 505 C ASP A 31 12.923 6.003 -3.119 1.00 0.00 C ATOM 506 O ASP A 31 13.047 7.161 -2.768 1.00 0.00 O ATOM 507 CB ASP A 31 11.608 5.091 -5.044 1.00 0.00 C ATOM 508 CG ASP A 31 11.984 6.325 -5.859 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.930 7.415 -5.313 1.00 0.00 O ATOM 510 OD2 ASP A 31 12.314 6.161 -7.022 1.00 0.00 O ATOM 0 H ASP A 31 10.255 7.040 -4.079 1.00 0.00 H new ATOM 0 HA ASP A 31 11.352 4.534 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.330 4.294 -5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.635 4.717 -5.363 1.00 0.00 H new ATOM 515 N SER A 32 13.932 5.183 -3.129 1.00 0.00 N ATOM 516 CA SER A 32 15.289 5.634 -2.704 1.00 0.00 C ATOM 517 C SER A 32 15.819 6.745 -3.616 1.00 0.00 C ATOM 518 O SER A 32 16.921 7.220 -3.426 1.00 0.00 O ATOM 519 CB SER A 32 16.248 4.446 -2.758 1.00 0.00 C ATOM 520 OG SER A 32 15.919 3.533 -1.719 1.00 0.00 O ATOM 0 H SER A 32 13.877 4.206 -3.417 1.00 0.00 H new ATOM 0 HA SER A 32 15.218 6.027 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.180 3.952 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.277 4.788 -2.646 1.00 0.00 H new ATOM 0 HG SER A 32 16.117 3.941 -0.850 1.00 0.00 H new ATOM 526 N PHE A 33 15.071 7.155 -4.614 1.00 0.00 N ATOM 527 CA PHE A 33 15.573 8.222 -5.541 1.00 0.00 C ATOM 528 C PHE A 33 14.897 9.562 -5.224 1.00 0.00 C ATOM 529 O PHE A 33 15.423 10.612 -5.537 1.00 0.00 O ATOM 530 CB PHE A 33 15.268 7.793 -6.972 1.00 0.00 C ATOM 531 CG PHE A 33 15.917 6.452 -7.217 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.333 5.295 -6.688 1.00 0.00 C ATOM 533 CD2 PHE A 33 17.101 6.364 -7.960 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.930 4.049 -6.903 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.701 5.115 -8.176 1.00 0.00 C ATOM 536 CZ PHE A 33 17.116 3.958 -7.646 1.00 0.00 C ATOM 0 H PHE A 33 14.139 6.799 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 33 16.648 8.353 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.191 7.727 -7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.647 8.532 -7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.421 5.365 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.552 7.257 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.478 3.156 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.613 5.045 -8.750 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.578 2.996 -7.810 1.00 0.00 H new ATOM 546 N GLY A 34 13.753 9.543 -4.580 1.00 0.00 N ATOM 547 CA GLY A 34 13.062 10.825 -4.210 1.00 0.00 C ATOM 548 C GLY A 34 11.845 11.077 -5.106 1.00 0.00 C ATOM 549 O GLY A 34 11.134 12.047 -4.932 1.00 0.00 O ATOM 0 H GLY A 34 13.266 8.694 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.747 10.784 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.761 11.657 -4.299 1.00 0.00 H new ATOM 553 N GLU A 35 11.585 10.223 -6.057 1.00 0.00 N ATOM 554 CA GLU A 35 10.395 10.441 -6.942 1.00 0.00 C ATOM 555 C GLU A 35 9.163 9.806 -6.277 1.00 0.00 C ATOM 556 O GLU A 35 9.302 8.885 -5.505 1.00 0.00 O ATOM 557 CB GLU A 35 10.656 9.790 -8.303 1.00 0.00 C ATOM 558 CG GLU A 35 11.096 8.339 -8.115 1.00 0.00 C ATOM 559 CD GLU A 35 10.911 7.571 -9.426 1.00 0.00 C ATOM 560 OE1 GLU A 35 11.404 8.039 -10.439 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.278 6.529 -9.396 1.00 0.00 O ATOM 0 H GLU A 35 12.136 9.390 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 35 10.218 11.507 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.753 9.828 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.426 10.345 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.140 8.303 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.512 7.871 -7.323 1.00 0.00 H new ATOM 568 N PRO A 36 7.968 10.282 -6.559 1.00 0.00 N ATOM 569 CA PRO A 36 6.718 9.712 -5.962 1.00 0.00 C ATOM 570 C PRO A 36 6.217 8.461 -6.708 1.00 0.00 C ATOM 571 O PRO A 36 6.136 8.446 -7.921 1.00 0.00 O ATOM 572 CB PRO A 36 5.719 10.860 -6.116 1.00 0.00 C ATOM 573 CG PRO A 36 6.128 11.534 -7.386 1.00 0.00 C ATOM 574 CD PRO A 36 7.659 11.418 -7.457 1.00 0.00 C ATOM 0 HA PRO A 36 6.868 9.379 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.695 10.492 -6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.765 11.545 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.661 11.058 -8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.816 12.578 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.999 11.228 -8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.146 12.335 -7.125 1.00 0.00 H new ATOM 582 N GLN A 37 5.859 7.423 -5.984 1.00 0.00 N ATOM 583 CA GLN A 37 5.332 6.167 -6.628 1.00 0.00 C ATOM 584 C GLN A 37 4.004 5.795 -5.972 1.00 0.00 C ATOM 585 O GLN A 37 3.670 6.285 -4.913 1.00 0.00 O ATOM 586 CB GLN A 37 6.323 5.006 -6.430 1.00 0.00 C ATOM 587 CG GLN A 37 7.458 5.124 -7.439 1.00 0.00 C ATOM 588 CD GLN A 37 8.181 6.438 -7.197 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.412 7.198 -8.114 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.537 6.745 -5.983 1.00 0.00 N ATOM 0 H GLN A 37 5.909 7.390 -4.966 1.00 0.00 H new ATOM 0 HA GLN A 37 5.198 6.345 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.722 5.024 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.810 4.052 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.148 4.287 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.067 5.088 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.340 6.102 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.013 7.628 -5.799 1.00 0.00 H new ATOM 599 N PHE A 38 3.247 4.924 -6.589 1.00 0.00 N ATOM 600 CA PHE A 38 1.939 4.506 -5.999 1.00 0.00 C ATOM 601 C PHE A 38 1.780 2.993 -6.154 1.00 0.00 C ATOM 602 O PHE A 38 2.229 2.410 -7.121 1.00 0.00 O ATOM 603 CB PHE A 38 0.799 5.192 -6.747 1.00 0.00 C ATOM 604 CG PHE A 38 1.042 6.678 -6.809 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.827 7.213 -7.836 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.474 7.522 -5.849 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.045 8.593 -7.904 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.693 8.902 -5.917 1.00 0.00 C ATOM 609 CZ PHE A 38 1.478 9.438 -6.945 1.00 0.00 C ATOM 0 H PHE A 38 3.479 4.483 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 38 1.913 4.784 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.719 4.786 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.148 4.991 -6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.265 6.560 -8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.133 7.109 -5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.651 9.006 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.256 9.555 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.646 10.504 -6.997 1.00 0.00 H new ATOM 619 N VAL A 39 1.124 2.360 -5.215 1.00 0.00 N ATOM 620 CA VAL A 39 0.899 0.883 -5.291 1.00 0.00 C ATOM 621 C VAL A 39 -0.612 0.634 -5.326 1.00 0.00 C ATOM 622 O VAL A 39 -1.393 1.459 -4.896 1.00 0.00 O ATOM 623 CB VAL A 39 1.524 0.204 -4.053 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.973 -0.212 -4.352 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.514 1.185 -2.873 1.00 0.00 C ATOM 0 H VAL A 39 0.730 2.809 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 39 1.364 0.468 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 39 0.941 -0.683 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.403 -0.690 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.986 -0.912 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.559 0.670 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.955 0.707 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.093 2.072 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.487 1.474 -2.649 1.00 0.00 H new ATOM 635 N TYR A 40 -1.027 -0.488 -5.856 1.00 0.00 N ATOM 636 CA TYR A 40 -2.489 -0.799 -5.950 1.00 0.00 C ATOM 637 C TYR A 40 -2.774 -2.168 -5.336 1.00 0.00 C ATOM 638 O TYR A 40 -1.923 -3.033 -5.287 1.00 0.00 O ATOM 639 CB TYR A 40 -2.894 -0.844 -7.422 1.00 0.00 C ATOM 640 CG TYR A 40 -2.882 0.543 -8.010 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.694 1.087 -8.512 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.065 1.280 -8.066 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.697 2.371 -9.071 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.070 2.557 -8.620 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.886 3.106 -9.125 1.00 0.00 C ATOM 646 OH TYR A 40 -2.893 4.373 -9.672 1.00 0.00 O ATOM 0 H TYR A 40 -0.411 -1.209 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.050 -0.031 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.209 -1.487 -7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.889 -1.279 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.777 0.518 -8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.980 0.858 -7.678 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.782 2.793 -9.460 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.988 3.124 -8.660 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.800 4.742 -9.631 1.00 0.00 H new ATOM 656 N SER A 41 -3.979 -2.370 -4.886 1.00 0.00 N ATOM 657 CA SER A 41 -4.346 -3.683 -4.293 1.00 0.00 C ATOM 658 C SER A 41 -5.853 -3.713 -4.025 1.00 0.00 C ATOM 659 O SER A 41 -6.425 -2.758 -3.539 1.00 0.00 O ATOM 660 CB SER A 41 -3.591 -3.884 -2.978 1.00 0.00 C ATOM 661 OG SER A 41 -3.830 -5.200 -2.500 1.00 0.00 O ATOM 0 H SER A 41 -4.729 -1.679 -4.904 1.00 0.00 H new ATOM 0 HA SER A 41 -4.080 -4.481 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.523 -3.728 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.919 -3.151 -2.241 1.00 0.00 H new ATOM 0 HG SER A 41 -3.333 -5.842 -3.048 1.00 0.00 H new ATOM 667 N TRP A 42 -6.503 -4.807 -4.321 1.00 0.00 N ATOM 668 CA TRP A 42 -7.969 -4.900 -4.060 1.00 0.00 C ATOM 669 C TRP A 42 -8.162 -5.413 -2.628 1.00 0.00 C ATOM 670 O TRP A 42 -9.250 -5.781 -2.230 1.00 0.00 O ATOM 671 CB TRP A 42 -8.609 -5.889 -5.050 1.00 0.00 C ATOM 672 CG TRP A 42 -8.911 -5.212 -6.346 1.00 0.00 C ATOM 673 CD1 TRP A 42 -8.085 -5.181 -7.411 1.00 0.00 C ATOM 674 CD2 TRP A 42 -10.116 -4.489 -6.736 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.702 -4.483 -8.432 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.956 -4.036 -8.066 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.320 -4.186 -6.073 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.953 -3.306 -8.716 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.326 -3.452 -6.725 1.00 0.00 C ATOM 680 CH2 TRP A 42 -12.142 -3.015 -8.043 1.00 0.00 C ATOM 0 H TRP A 42 -6.082 -5.640 -4.732 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.439 -3.924 -4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.935 -6.729 -5.220 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.526 -6.297 -4.624 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.103 -5.628 -7.459 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.281 -4.318 -9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.472 -4.519 -5.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.806 -2.969 -9.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.246 -3.224 -6.207 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.920 -2.453 -8.539 1.00 0.00 H new ATOM 691 N LYS A 43 -7.099 -5.440 -1.858 1.00 0.00 N ATOM 692 CA LYS A 43 -7.180 -5.929 -0.444 1.00 0.00 C ATOM 693 C LYS A 43 -6.608 -4.872 0.503 1.00 0.00 C ATOM 694 O LYS A 43 -5.687 -4.155 0.169 1.00 0.00 O ATOM 695 CB LYS A 43 -6.343 -7.203 -0.303 1.00 0.00 C ATOM 696 CG LYS A 43 -6.943 -8.322 -1.169 1.00 0.00 C ATOM 697 CD LYS A 43 -6.437 -9.700 -0.706 1.00 0.00 C ATOM 698 CE LYS A 43 -5.020 -9.945 -1.233 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.388 -11.058 -0.467 1.00 0.00 N ATOM 0 H LYS A 43 -6.169 -5.141 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.223 -6.127 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.314 -7.008 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.313 -7.515 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.031 -8.290 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.675 -8.163 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.442 -9.751 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.107 -10.481 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.053 -10.193 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.423 -9.038 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.381 -11.124 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.480 -10.874 0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.862 -11.954 -0.701 1.00 0.00 H new ATOM 713 N LEU A 44 -7.136 -4.787 1.696 1.00 0.00 N ATOM 714 CA LEU A 44 -6.615 -3.796 2.688 1.00 0.00 C ATOM 715 C LEU A 44 -5.603 -4.500 3.591 1.00 0.00 C ATOM 716 O LEU A 44 -4.519 -4.005 3.831 1.00 0.00 O ATOM 717 CB LEU A 44 -7.778 -3.260 3.535 1.00 0.00 C ATOM 718 CG LEU A 44 -7.263 -2.291 4.611 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.590 -1.074 3.953 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.452 -1.831 5.460 1.00 0.00 C ATOM 0 H LEU A 44 -7.909 -5.363 2.029 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.138 -2.963 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.497 -2.751 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.304 -4.090 4.007 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.527 -2.794 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.230 -0.395 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.751 -1.408 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.312 -0.555 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.105 -1.142 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.180 -1.327 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.919 -2.696 5.931 1.00 0.00 H new ATOM 732 N VAL A 45 -5.957 -5.663 4.086 1.00 0.00 N ATOM 733 CA VAL A 45 -5.031 -6.437 4.977 1.00 0.00 C ATOM 734 C VAL A 45 -4.775 -7.814 4.359 1.00 0.00 C ATOM 735 O VAL A 45 -5.237 -8.118 3.278 1.00 0.00 O ATOM 736 CB VAL A 45 -5.655 -6.617 6.368 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.870 -5.249 7.017 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.002 -7.346 6.258 1.00 0.00 C ATOM 0 H VAL A 45 -6.855 -6.113 3.910 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.094 -5.889 5.077 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.978 -7.212 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.313 -5.380 8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.912 -4.738 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.538 -4.653 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.433 -7.467 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.682 -6.763 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.849 -8.327 5.807 1.00 0.00 H new ATOM 748 N ALA A 46 -4.037 -8.644 5.038 1.00 0.00 N ATOM 749 CA ALA A 46 -3.733 -10.002 4.502 1.00 0.00 C ATOM 750 C ALA A 46 -4.923 -10.955 4.701 1.00 0.00 C ATOM 751 O ALA A 46 -4.977 -12.014 4.106 1.00 0.00 O ATOM 752 CB ALA A 46 -2.514 -10.567 5.230 1.00 0.00 C ATOM 0 H ALA A 46 -3.627 -8.440 5.949 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.534 -9.915 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.287 -11.560 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.658 -9.911 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.726 -10.634 6.297 1.00 0.00 H new ATOM 758 N THR A 47 -5.864 -10.613 5.543 1.00 0.00 N ATOM 759 CA THR A 47 -7.021 -11.537 5.777 1.00 0.00 C ATOM 760 C THR A 47 -8.135 -11.259 4.762 1.00 0.00 C ATOM 761 O THR A 47 -9.090 -12.004 4.658 1.00 0.00 O ATOM 762 CB THR A 47 -7.572 -11.310 7.190 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.255 -10.064 7.234 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.422 -11.292 8.196 1.00 0.00 C ATOM 0 H THR A 47 -5.885 -9.743 6.075 1.00 0.00 H new ATOM 0 HA THR A 47 -6.679 -12.566 5.665 1.00 0.00 H new ATOM 0 HB THR A 47 -8.260 -12.117 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.610 -9.917 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.818 -11.130 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.895 -12.246 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.731 -10.487 7.945 1.00 0.00 H new ATOM 772 N ASP A 48 -8.028 -10.195 4.021 1.00 0.00 N ATOM 773 CA ASP A 48 -9.085 -9.871 3.021 1.00 0.00 C ATOM 774 C ASP A 48 -8.959 -10.781 1.794 1.00 0.00 C ATOM 775 O ASP A 48 -7.966 -11.455 1.604 1.00 0.00 O ATOM 776 CB ASP A 48 -8.950 -8.408 2.603 1.00 0.00 C ATOM 777 CG ASP A 48 -9.396 -7.509 3.762 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.027 -8.021 4.673 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.102 -6.328 3.718 1.00 0.00 O ATOM 0 H ASP A 48 -7.253 -9.533 4.063 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.065 -10.034 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.917 -8.188 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.558 -8.212 1.720 1.00 0.00 H new ATOM 784 N ARG A 49 -9.968 -10.798 0.956 1.00 0.00 N ATOM 785 CA ARG A 49 -9.935 -11.652 -0.274 1.00 0.00 C ATOM 786 C ARG A 49 -10.494 -10.844 -1.451 1.00 0.00 C ATOM 787 O ARG A 49 -11.439 -10.092 -1.308 1.00 0.00 O ATOM 788 CB ARG A 49 -10.771 -12.920 -0.035 1.00 0.00 C ATOM 789 CG ARG A 49 -12.277 -12.573 0.017 1.00 0.00 C ATOM 790 CD ARG A 49 -12.925 -12.735 -1.373 1.00 0.00 C ATOM 791 NE ARG A 49 -13.563 -14.079 -1.463 1.00 0.00 N ATOM 792 CZ ARG A 49 -14.419 -14.333 -2.415 1.00 0.00 C ATOM 793 NH1 ARG A 49 -14.718 -13.409 -3.284 1.00 0.00 N ATOM 794 NH2 ARG A 49 -14.976 -15.510 -2.502 1.00 0.00 N ATOM 0 H ARG A 49 -10.821 -10.251 1.073 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.912 -11.951 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.585 -13.641 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.468 -13.392 0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.779 -13.221 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.407 -11.549 0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.669 -11.955 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.172 -12.624 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.331 -14.800 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.283 -12.489 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.387 -13.606 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.743 -16.236 -1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.644 -15.704 -3.248 1.00 0.00 H new ATOM 808 N VAL A 50 -9.895 -10.971 -2.607 1.00 0.00 N ATOM 809 CA VAL A 50 -10.363 -10.192 -3.790 1.00 0.00 C ATOM 810 C VAL A 50 -11.583 -10.869 -4.443 1.00 0.00 C ATOM 811 O VAL A 50 -11.705 -12.077 -4.417 1.00 0.00 O ATOM 812 CB VAL A 50 -9.228 -10.123 -4.814 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.044 -9.361 -4.218 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.786 -11.543 -5.190 1.00 0.00 C ATOM 0 H VAL A 50 -9.099 -11.584 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.650 -9.193 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.580 -9.605 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.237 -9.313 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.357 -8.350 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.693 -9.876 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.978 -11.491 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.437 -12.064 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.629 -12.084 -5.620 1.00 0.00 H new ATOM 824 N PRO A 51 -12.470 -10.102 -5.049 1.00 0.00 N ATOM 825 CA PRO A 51 -13.673 -10.658 -5.741 1.00 0.00 C ATOM 826 C PRO A 51 -13.292 -11.339 -7.063 1.00 0.00 C ATOM 827 O PRO A 51 -12.287 -11.018 -7.667 1.00 0.00 O ATOM 828 CB PRO A 51 -14.554 -9.425 -5.993 1.00 0.00 C ATOM 829 CG PRO A 51 -13.598 -8.279 -6.070 1.00 0.00 C ATOM 830 CD PRO A 51 -12.433 -8.627 -5.139 1.00 0.00 C ATOM 0 HA PRO A 51 -14.176 -11.425 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.123 -9.528 -6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.276 -9.284 -5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.248 -8.132 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.078 -7.351 -5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.483 -8.276 -5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.554 -8.165 -4.159 1.00 0.00 H new ATOM 838 N ALA A 52 -14.080 -12.274 -7.512 1.00 0.00 N ATOM 839 CA ALA A 52 -13.761 -12.975 -8.789 1.00 0.00 C ATOM 840 C ALA A 52 -13.369 -11.964 -9.868 1.00 0.00 C ATOM 841 O ALA A 52 -13.901 -10.873 -9.936 1.00 0.00 O ATOM 842 CB ALA A 52 -14.987 -13.762 -9.252 1.00 0.00 C ATOM 0 H ALA A 52 -14.934 -12.585 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.924 -13.653 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.758 -14.276 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.258 -14.494 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.820 -13.078 -9.410 1.00 0.00 H new ATOM 848 N GLY A 53 -12.440 -12.329 -10.717 1.00 0.00 N ATOM 849 CA GLY A 53 -11.998 -11.407 -11.807 1.00 0.00 C ATOM 850 C GLY A 53 -10.696 -10.720 -11.401 1.00 0.00 C ATOM 851 O GLY A 53 -9.810 -10.520 -12.208 1.00 0.00 O ATOM 0 H GLY A 53 -11.966 -13.232 -10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.853 -11.965 -12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.769 -10.661 -12.001 1.00 0.00 H new ATOM 855 N LYS A 54 -10.568 -10.360 -10.152 1.00 0.00 N ATOM 856 CA LYS A 54 -9.324 -9.685 -9.685 1.00 0.00 C ATOM 857 C LYS A 54 -8.371 -10.758 -9.147 1.00 0.00 C ATOM 858 O LYS A 54 -8.739 -11.548 -8.302 1.00 0.00 O ATOM 859 CB LYS A 54 -9.682 -8.701 -8.562 1.00 0.00 C ATOM 860 CG LYS A 54 -10.420 -7.472 -9.126 1.00 0.00 C ATOM 861 CD LYS A 54 -11.638 -7.913 -9.948 1.00 0.00 C ATOM 862 CE LYS A 54 -12.613 -6.744 -10.113 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.798 -7.193 -10.901 1.00 0.00 N ATOM 0 H LYS A 54 -11.276 -10.506 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.850 -9.141 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.308 -9.199 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.775 -8.382 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.739 -6.825 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.744 -6.888 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.316 -8.269 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.138 -8.746 -9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.929 -6.380 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.120 -5.914 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.461 -6.400 -11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.488 -7.521 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.272 -7.972 -10.401 1.00 0.00 H new ATOM 877 N ARG A 55 -7.155 -10.812 -9.632 1.00 0.00 N ATOM 878 CA ARG A 55 -6.216 -11.862 -9.136 1.00 0.00 C ATOM 879 C ARG A 55 -5.684 -11.481 -7.750 1.00 0.00 C ATOM 880 O ARG A 55 -5.666 -10.326 -7.372 1.00 0.00 O ATOM 881 CB ARG A 55 -5.051 -12.052 -10.120 1.00 0.00 C ATOM 882 CG ARG A 55 -4.524 -10.685 -10.612 1.00 0.00 C ATOM 883 CD ARG A 55 -3.060 -10.790 -11.132 1.00 0.00 C ATOM 884 NE ARG A 55 -2.984 -10.319 -12.557 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.736 -10.841 -13.488 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.472 -11.884 -13.229 1.00 0.00 N ATOM 887 NH2 ARG A 55 -3.714 -10.344 -14.694 1.00 0.00 N ATOM 0 H ARG A 55 -6.777 -10.183 -10.340 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.758 -12.804 -9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.246 -12.605 -9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.381 -12.648 -10.971 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.168 -10.311 -11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.571 -9.962 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.400 -10.189 -10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.714 -11.821 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.331 -9.575 -12.802 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.462 -12.296 -12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.058 -12.289 -13.959 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.110 -9.550 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.300 -10.750 -15.424 1.00 0.00 H new ATOM 901 N ASP A 56 -5.269 -12.457 -6.984 1.00 0.00 N ATOM 902 CA ASP A 56 -4.758 -12.172 -5.611 1.00 0.00 C ATOM 903 C ASP A 56 -3.700 -11.073 -5.667 1.00 0.00 C ATOM 904 O ASP A 56 -3.184 -10.742 -6.717 1.00 0.00 O ATOM 905 CB ASP A 56 -4.145 -13.441 -5.015 1.00 0.00 C ATOM 906 CG ASP A 56 -5.157 -14.583 -5.102 1.00 0.00 C ATOM 907 OD1 ASP A 56 -5.989 -14.681 -4.214 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.083 -15.342 -6.055 1.00 0.00 O ATOM 0 H ASP A 56 -5.262 -13.441 -7.252 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.587 -11.841 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.235 -13.705 -5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.863 -13.269 -3.976 1.00 0.00 H new ATOM 913 N CYS A 57 -3.383 -10.501 -4.542 1.00 0.00 N ATOM 914 CA CYS A 57 -2.370 -9.414 -4.514 1.00 0.00 C ATOM 915 C CYS A 57 -1.871 -9.238 -3.081 1.00 0.00 C ATOM 916 O CYS A 57 -2.457 -9.742 -2.146 1.00 0.00 O ATOM 917 CB CYS A 57 -3.016 -8.118 -5.002 1.00 0.00 C ATOM 918 SG CYS A 57 -1.795 -6.784 -4.974 1.00 0.00 S ATOM 0 H CYS A 57 -3.784 -10.741 -3.636 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.530 -9.664 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.402 -8.250 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.865 -7.861 -4.368 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.276 -5.742 -5.585 1.00 0.00 H new ATOM 924 N ILE A 58 -0.789 -8.539 -2.898 1.00 0.00 N ATOM 925 CA ILE A 58 -0.248 -8.341 -1.522 1.00 0.00 C ATOM 926 C ILE A 58 -0.968 -7.167 -0.851 1.00 0.00 C ATOM 927 O ILE A 58 -1.028 -6.076 -1.382 1.00 0.00 O ATOM 928 CB ILE A 58 1.255 -8.065 -1.626 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.933 -9.312 -2.203 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.842 -7.764 -0.241 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.397 -9.006 -2.527 1.00 0.00 C ATOM 0 H ILE A 58 -0.252 -8.094 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.411 -9.233 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 58 1.424 -7.201 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.874 -10.133 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.412 -9.636 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.911 -7.570 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.349 -6.888 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.684 -8.620 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.873 -9.897 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.447 -8.199 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.916 -8.704 -1.617 1.00 0.00 H new ATOM 943 N SER A 59 -1.513 -7.384 0.318 1.00 0.00 N ATOM 944 CA SER A 59 -2.228 -6.283 1.021 1.00 0.00 C ATOM 945 C SER A 59 -1.293 -5.083 1.141 1.00 0.00 C ATOM 946 O SER A 59 -0.088 -5.215 1.067 1.00 0.00 O ATOM 947 CB SER A 59 -2.642 -6.753 2.417 1.00 0.00 C ATOM 948 OG SER A 59 -1.486 -6.871 3.237 1.00 0.00 O ATOM 0 H SER A 59 -1.493 -8.275 0.814 1.00 0.00 H new ATOM 0 HA SER A 59 -3.118 -6.001 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.344 -6.045 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.155 -7.712 2.353 1.00 0.00 H new ATOM 0 HG SER A 59 -1.749 -7.170 4.132 1.00 0.00 H new ATOM 954 N LEU A 60 -1.837 -3.915 1.306 1.00 0.00 N ATOM 955 CA LEU A 60 -0.979 -2.705 1.404 1.00 0.00 C ATOM 956 C LEU A 60 -0.099 -2.766 2.656 1.00 0.00 C ATOM 957 O LEU A 60 1.111 -2.723 2.571 1.00 0.00 O ATOM 958 CB LEU A 60 -1.871 -1.464 1.482 1.00 0.00 C ATOM 959 CG LEU A 60 -2.540 -1.209 0.122 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.576 -0.087 0.274 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.482 -0.809 -0.934 1.00 0.00 C ATOM 0 H LEU A 60 -2.840 -3.744 1.378 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.337 -2.658 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.632 -1.601 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.277 -0.597 1.772 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.032 -2.122 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.055 0.099 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.330 -0.384 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.080 0.822 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.972 -0.632 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.973 0.100 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.754 -1.613 -1.042 1.00 0.00 H new ATOM 973 N ARG A 61 -0.686 -2.838 3.816 1.00 0.00 N ATOM 974 CA ARG A 61 0.138 -2.854 5.059 1.00 0.00 C ATOM 975 C ARG A 61 1.293 -3.843 4.919 1.00 0.00 C ATOM 976 O ARG A 61 2.399 -3.576 5.341 1.00 0.00 O ATOM 977 CB ARG A 61 -0.744 -3.235 6.253 1.00 0.00 C ATOM 978 CG ARG A 61 -2.107 -2.514 6.138 1.00 0.00 C ATOM 979 CD ARG A 61 -2.613 -2.098 7.522 1.00 0.00 C ATOM 980 NE ARG A 61 -3.919 -1.398 7.379 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.704 -1.273 8.415 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.356 -1.791 9.560 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.837 -0.634 8.306 1.00 0.00 N ATOM 0 H ARG A 61 -1.695 -2.886 3.959 1.00 0.00 H new ATOM 0 HA ARG A 61 0.555 -1.860 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.893 -4.314 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.252 -2.958 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.007 -1.635 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.834 -3.172 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.725 -2.975 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.888 -1.444 8.005 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.200 -1.017 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.472 -2.293 9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.968 -1.694 10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.111 -0.231 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.448 -0.538 9.117 1.00 0.00 H new ATOM 997 N GLU A 62 1.060 -4.975 4.326 1.00 0.00 N ATOM 998 CA GLU A 62 2.167 -5.952 4.164 1.00 0.00 C ATOM 999 C GLU A 62 3.159 -5.430 3.110 1.00 0.00 C ATOM 1000 O GLU A 62 4.358 -5.557 3.261 1.00 0.00 O ATOM 1001 CB GLU A 62 1.593 -7.305 3.723 1.00 0.00 C ATOM 1002 CG GLU A 62 0.802 -7.946 4.878 1.00 0.00 C ATOM 1003 CD GLU A 62 1.745 -8.687 5.832 1.00 0.00 C ATOM 1004 OE1 GLU A 62 2.794 -8.151 6.143 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.393 -9.782 6.241 1.00 0.00 O ATOM 0 H GLU A 62 0.158 -5.266 3.949 1.00 0.00 H new ATOM 0 HA GLU A 62 2.689 -6.079 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.943 -7.169 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.401 -7.968 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.256 -7.176 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.062 -8.639 4.478 1.00 0.00 H new ATOM 1012 N LYS A 63 2.669 -4.848 2.041 1.00 0.00 N ATOM 1013 CA LYS A 63 3.590 -4.325 0.982 1.00 0.00 C ATOM 1014 C LYS A 63 4.337 -3.084 1.486 1.00 0.00 C ATOM 1015 O LYS A 63 5.518 -2.925 1.243 1.00 0.00 O ATOM 1016 CB LYS A 63 2.789 -3.955 -0.273 1.00 0.00 C ATOM 1017 CG LYS A 63 3.751 -3.774 -1.454 1.00 0.00 C ATOM 1018 CD LYS A 63 2.996 -3.226 -2.673 1.00 0.00 C ATOM 1019 CE LYS A 63 2.198 -4.348 -3.348 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.613 -3.838 -4.620 1.00 0.00 N ATOM 0 H LYS A 63 1.675 -4.713 1.856 1.00 0.00 H new ATOM 0 HA LYS A 63 4.313 -5.104 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.062 -4.736 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.228 -3.036 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.554 -3.091 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.216 -4.728 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.323 -2.426 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.701 -2.793 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.846 -5.201 -3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.407 -4.697 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.071 -4.596 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.983 -3.037 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.377 -3.525 -5.252 1.00 0.00 H new ATOM 1034 N ILE A 64 3.667 -2.197 2.174 1.00 0.00 N ATOM 1035 CA ILE A 64 4.357 -0.968 2.670 1.00 0.00 C ATOM 1036 C ILE A 64 5.596 -1.376 3.467 1.00 0.00 C ATOM 1037 O ILE A 64 6.678 -0.865 3.252 1.00 0.00 O ATOM 1038 CB ILE A 64 3.376 -0.145 3.560 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.506 0.790 2.685 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.139 0.706 4.592 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.289 0.038 2.145 1.00 0.00 C ATOM 0 H ILE A 64 2.678 -2.269 2.413 1.00 0.00 H new ATOM 0 HA ILE A 64 4.667 -0.347 1.830 1.00 0.00 H new ATOM 0 HB ILE A 64 2.740 -0.856 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.180 1.648 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.098 1.178 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.428 1.268 5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.729 0.054 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.802 1.399 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.688 0.710 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.622 -0.805 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.688 -0.328 2.978 1.00 0.00 H new ATOM 1053 N ALA A 65 5.451 -2.278 4.385 1.00 0.00 N ATOM 1054 CA ALA A 65 6.623 -2.699 5.192 1.00 0.00 C ATOM 1055 C ALA A 65 7.705 -3.275 4.276 1.00 0.00 C ATOM 1056 O ALA A 65 8.877 -3.082 4.500 1.00 0.00 O ATOM 1057 CB ALA A 65 6.186 -3.764 6.198 1.00 0.00 C ATOM 0 H ALA A 65 4.573 -2.744 4.614 1.00 0.00 H new ATOM 0 HA ALA A 65 7.026 -1.836 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.044 -4.076 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.420 -3.352 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.782 -4.624 5.665 1.00 0.00 H new ATOM 1063 N GLU A 66 7.327 -3.996 3.257 1.00 0.00 N ATOM 1064 CA GLU A 66 8.358 -4.593 2.357 1.00 0.00 C ATOM 1065 C GLU A 66 9.031 -3.515 1.498 1.00 0.00 C ATOM 1066 O GLU A 66 10.241 -3.410 1.466 1.00 0.00 O ATOM 1067 CB GLU A 66 7.703 -5.629 1.439 1.00 0.00 C ATOM 1068 CG GLU A 66 8.792 -6.380 0.666 1.00 0.00 C ATOM 1069 CD GLU A 66 8.155 -7.458 -0.213 1.00 0.00 C ATOM 1070 OE1 GLU A 66 7.403 -7.101 -1.106 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.436 -8.624 0.016 1.00 0.00 O ATOM 0 H GLU A 66 6.358 -4.197 3.008 1.00 0.00 H new ATOM 0 HA GLU A 66 9.117 -5.069 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.109 -6.329 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.021 -5.138 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.359 -5.683 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.497 -6.835 1.362 1.00 0.00 H new ATOM 1078 N LEU A 67 8.275 -2.720 0.789 1.00 0.00 N ATOM 1079 CA LEU A 67 8.919 -1.677 -0.064 1.00 0.00 C ATOM 1080 C LEU A 67 9.507 -0.563 0.806 1.00 0.00 C ATOM 1081 O LEU A 67 10.621 -0.140 0.612 1.00 0.00 O ATOM 1082 CB LEU A 67 7.877 -1.069 -1.026 1.00 0.00 C ATOM 1083 CG LEU A 67 7.763 -1.904 -2.312 1.00 0.00 C ATOM 1084 CD1 LEU A 67 6.590 -1.367 -3.139 1.00 0.00 C ATOM 1085 CD2 LEU A 67 9.067 -1.807 -3.143 1.00 0.00 C ATOM 0 H LEU A 67 7.256 -2.745 0.762 1.00 0.00 H new ATOM 0 HA LEU A 67 9.720 -2.146 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.906 -1.020 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.160 -0.046 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 67 7.599 -2.949 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.495 -1.949 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.670 -1.448 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.770 -0.322 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.966 -2.405 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.250 -0.767 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.903 -2.181 -2.553 1.00 0.00 H new ATOM 1097 N GLN A 68 8.743 -0.054 1.720 1.00 0.00 N ATOM 1098 CA GLN A 68 9.221 1.087 2.553 1.00 0.00 C ATOM 1099 C GLN A 68 10.364 0.695 3.510 1.00 0.00 C ATOM 1100 O GLN A 68 11.321 1.430 3.660 1.00 0.00 O ATOM 1101 CB GLN A 68 8.036 1.599 3.374 1.00 0.00 C ATOM 1102 CG GLN A 68 8.351 2.990 3.913 1.00 0.00 C ATOM 1103 CD GLN A 68 7.156 3.507 4.717 1.00 0.00 C ATOM 1104 OE1 GLN A 68 6.250 4.099 4.166 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.111 3.305 6.005 1.00 0.00 N ATOM 0 H GLN A 68 7.799 -0.378 1.932 1.00 0.00 H new ATOM 0 HA GLN A 68 9.616 1.852 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.139 1.632 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.830 0.916 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.240 2.955 4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.571 3.670 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.871 2.808 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.316 3.644 6.547 1.00 0.00 H new ATOM 1114 N LYS A 69 10.277 -0.421 4.181 1.00 0.00 N ATOM 1115 CA LYS A 69 11.367 -0.788 5.143 1.00 0.00 C ATOM 1116 C LYS A 69 12.616 -1.286 4.402 1.00 0.00 C ATOM 1117 O LYS A 69 13.725 -1.160 4.887 1.00 0.00 O ATOM 1118 CB LYS A 69 10.870 -1.894 6.083 1.00 0.00 C ATOM 1119 CG LYS A 69 11.774 -1.970 7.324 1.00 0.00 C ATOM 1120 CD LYS A 69 11.616 -3.339 8.015 1.00 0.00 C ATOM 1121 CE LYS A 69 12.569 -4.365 7.389 1.00 0.00 C ATOM 1122 NZ LYS A 69 13.952 -4.133 7.893 1.00 0.00 N ATOM 0 H LYS A 69 9.510 -1.090 4.110 1.00 0.00 H new ATOM 0 HA LYS A 69 11.631 0.103 5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.841 -1.693 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.869 -2.852 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.814 -1.818 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.517 -1.171 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.824 -3.242 9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.586 -3.684 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.245 -5.376 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.548 -4.281 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.543 -4.962 7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.354 -3.293 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.926 -3.982 8.922 1.00 0.00 H new ATOM 1136 N ASP A 70 12.445 -1.886 3.260 1.00 0.00 N ATOM 1137 CA ASP A 70 13.621 -2.432 2.513 1.00 0.00 C ATOM 1138 C ASP A 70 14.443 -1.324 1.839 1.00 0.00 C ATOM 1139 O ASP A 70 15.657 -1.336 1.883 1.00 0.00 O ATOM 1140 CB ASP A 70 13.126 -3.405 1.440 1.00 0.00 C ATOM 1141 CG ASP A 70 14.325 -4.072 0.763 1.00 0.00 C ATOM 1142 OD1 ASP A 70 15.393 -4.065 1.353 1.00 0.00 O ATOM 1143 OD2 ASP A 70 14.156 -4.576 -0.335 1.00 0.00 O ATOM 0 H ASP A 70 11.542 -2.025 2.806 1.00 0.00 H new ATOM 0 HA ASP A 70 14.265 -2.938 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.482 -4.161 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.527 -2.874 0.701 1.00 0.00 H new ATOM 1148 N ILE A 71 13.804 -0.398 1.180 1.00 0.00 N ATOM 1149 CA ILE A 71 14.563 0.673 0.462 1.00 0.00 C ATOM 1150 C ILE A 71 14.870 1.853 1.392 1.00 0.00 C ATOM 1151 O ILE A 71 15.725 2.670 1.108 1.00 0.00 O ATOM 1152 CB ILE A 71 13.715 1.143 -0.722 1.00 0.00 C ATOM 1153 CG1 ILE A 71 12.553 2.022 -0.214 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.171 -0.091 -1.456 1.00 0.00 C ATOM 1155 CD1 ILE A 71 11.458 2.140 -1.283 1.00 0.00 C ATOM 0 H ILE A 71 12.789 -0.334 1.105 1.00 0.00 H new ATOM 0 HA ILE A 71 15.516 0.274 0.116 1.00 0.00 H new ATOM 0 HB ILE A 71 14.321 1.736 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.135 1.592 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.926 3.013 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.564 0.228 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.003 -0.698 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.559 -0.680 -0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.647 2.764 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.875 2.592 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.073 1.148 -1.520 1.00 0.00 H new ATOM 1167 N HIS A 72 14.181 1.957 2.493 1.00 0.00 N ATOM 1168 CA HIS A 72 14.440 3.092 3.428 1.00 0.00 C ATOM 1169 C HIS A 72 14.059 2.679 4.852 1.00 0.00 C ATOM 1170 O HIS A 72 13.218 1.827 5.064 1.00 0.00 O ATOM 1171 CB HIS A 72 13.594 4.316 2.990 1.00 0.00 C ATOM 1172 CG HIS A 72 14.445 5.308 2.236 1.00 0.00 C ATOM 1173 ND1 HIS A 72 15.225 6.245 2.892 1.00 0.00 N ATOM 1174 CD2 HIS A 72 14.642 5.529 0.893 1.00 0.00 C ATOM 1175 CE1 HIS A 72 15.851 6.979 1.957 1.00 0.00 C ATOM 1176 NE2 HIS A 72 15.532 6.585 0.722 1.00 0.00 N ATOM 0 H HIS A 72 13.451 1.308 2.788 1.00 0.00 H new ATOM 0 HA HIS A 72 15.498 3.355 3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 72 12.767 3.987 2.361 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.157 4.795 3.866 1.00 0.00 H new ATOM 0 HD1 HIS A 72 15.309 6.358 3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.178 4.969 0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 72 16.530 7.789 2.178 1.00 0.00 H new ATOM 1184 N ASP A 73 14.664 3.297 5.826 1.00 0.00 N ATOM 1185 CA ASP A 73 14.337 2.972 7.239 1.00 0.00 C ATOM 1186 C ASP A 73 14.296 1.454 7.431 1.00 0.00 C ATOM 1187 O ASP A 73 13.271 0.887 7.746 1.00 0.00 O ATOM 1188 CB ASP A 73 12.972 3.573 7.575 1.00 0.00 C ATOM 1189 CG ASP A 73 13.037 5.090 7.391 1.00 0.00 C ATOM 1190 OD1 ASP A 73 14.105 5.580 7.062 1.00 0.00 O ATOM 1191 OD2 ASP A 73 12.020 5.735 7.582 1.00 0.00 O ATOM 0 H ASP A 73 15.375 4.018 5.702 1.00 0.00 H new ATOM 0 HA ASP A 73 15.099 3.386 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.204 3.148 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.696 3.330 8.601 1.00 0.00 H new TER 1196 ASP A 73