USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 31 LYS NZ :NH3+ 166:sc= -4.71! (180deg=-2.77!) USER MOD Set 1.2: A 64 GLN : amide:sc= -6.21! K(o=-11!,f=0.39) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 134:sc= -5.5! (180deg=-7.82!) USER MOD Single : A 14 ASN : amide:sc= -2.67! C(o=-2.7!,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= -2.4! (180deg=-3.09!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -134:sc= -4.34! (180deg=-7.68!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 27 SER OG : rot -150:sc= 0.653 USER MOD Single : A 28 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.52) USER MOD Single : A 36 ASN : amide:sc= -21! C(o=-21!,f=-29!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.946! USER MOD Single : A 49 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.4!) USER MOD Single : A 58 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=-0.001) USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -3.19! (180deg=-4.78!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.469 USER MOD Single : A 72 TYR OH : rot 30:sc= -4.08! USER MOD Single : A 75 GLN : amide:sc= -9.44! C(o=-9.4!,f=-13!) USER MOD Single : A 76 ASN : amide:sc= -6.76! C(o=-6.8!,f=-5.6!) USER MOD Single : A 78 MET CE :methyl -133:sc= -5.05! (180deg=-9.28!) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= -6.09! (180deg=-7.05!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -4.474 -6.742 10.941 1.00 0.00 N ATOM 21 CA ASN A 2 -3.826 -5.576 11.527 1.00 0.00 C ATOM 22 C ASN A 2 -2.486 -5.302 10.857 1.00 0.00 C ATOM 23 O ASN A 2 -2.044 -4.158 10.763 1.00 0.00 O ATOM 24 CB ASN A 2 -3.620 -5.774 13.029 1.00 0.00 C ATOM 25 CG ASN A 2 -3.674 -7.234 13.434 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.782 -8.015 13.101 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.723 -7.611 14.156 1.00 0.00 N ATOM 0 HA ASN A 2 -4.478 -4.718 11.366 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.656 -5.355 13.319 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.385 -5.220 13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.813 -8.581 14.457 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.439 -6.930 14.409 1.00 0.00 H new ATOM 34 N ASP A 3 -1.836 -6.362 10.409 1.00 0.00 N ATOM 35 CA ASP A 3 -0.538 -6.245 9.759 1.00 0.00 C ATOM 36 C ASP A 3 -0.566 -5.222 8.627 1.00 0.00 C ATOM 37 O ASP A 3 0.461 -4.633 8.288 1.00 0.00 O ATOM 38 CB ASP A 3 -0.089 -7.603 9.222 1.00 0.00 C ATOM 39 CG ASP A 3 0.915 -8.283 10.133 1.00 0.00 C ATOM 40 OD1 ASP A 3 0.510 -8.750 11.219 1.00 0.00 O ATOM 41 OD2 ASP A 3 2.106 -8.347 9.761 1.00 0.00 O ATOM 0 H ASP A 3 -2.186 -7.317 10.483 1.00 0.00 H new ATOM 0 HA ASP A 3 0.175 -5.899 10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.959 -8.248 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.352 -7.472 8.234 1.00 0.00 H new ATOM 46 N VAL A 4 -1.739 -5.022 8.035 1.00 0.00 N ATOM 47 CA VAL A 4 -1.875 -4.077 6.932 1.00 0.00 C ATOM 48 C VAL A 4 -1.763 -2.626 7.401 1.00 0.00 C ATOM 49 O VAL A 4 -0.926 -1.882 6.903 1.00 0.00 O ATOM 50 CB VAL A 4 -3.200 -4.269 6.173 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.243 -5.639 5.517 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.383 -4.076 7.103 1.00 0.00 C ATOM 0 H VAL A 4 -2.603 -5.497 8.297 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.048 -4.287 6.254 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.261 -3.514 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.187 -5.758 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.415 -5.732 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.158 -6.411 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.310 -4.216 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.332 -4.804 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.358 -3.069 7.519 1.00 0.00 H new ATOM 62 N LEU A 5 -2.595 -2.220 8.357 1.00 0.00 N ATOM 63 CA LEU A 5 -2.542 -0.852 8.862 1.00 0.00 C ATOM 64 C LEU A 5 -1.250 -0.615 9.631 1.00 0.00 C ATOM 65 O LEU A 5 -0.695 0.478 9.615 1.00 0.00 O ATOM 66 CB LEU A 5 -3.748 -0.517 9.752 1.00 0.00 C ATOM 67 CG LEU A 5 -4.662 -1.684 10.117 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.360 -2.207 8.880 1.00 0.00 C ATOM 69 CD2 LEU A 5 -3.873 -2.784 10.803 1.00 0.00 C ATOM 0 H LEU A 5 -3.304 -2.810 8.792 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.574 -0.191 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.379 -0.070 10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.346 0.242 9.247 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.421 -1.331 10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.009 -3.039 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.958 -1.411 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.617 -2.548 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.541 -3.607 11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.092 -3.143 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.419 -2.393 11.713 1.00 0.00 H new ATOM 81 N THR A 6 -0.786 -1.648 10.314 1.00 0.00 N ATOM 82 CA THR A 6 0.435 -1.554 11.105 1.00 0.00 C ATOM 83 C THR A 6 1.640 -1.190 10.245 1.00 0.00 C ATOM 84 O THR A 6 2.321 -0.196 10.496 1.00 0.00 O ATOM 85 CB THR A 6 0.699 -2.874 11.829 1.00 0.00 C ATOM 86 OG1 THR A 6 0.848 -2.661 13.221 1.00 0.00 O ATOM 87 CG2 THR A 6 1.944 -3.581 11.339 1.00 0.00 C ATOM 0 H THR A 6 -1.235 -2.563 10.338 1.00 0.00 H new ATOM 0 HA THR A 6 0.290 -0.758 11.836 1.00 0.00 H new ATOM 0 HB THR A 6 -0.167 -3.501 11.616 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.015 -3.518 13.667 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.076 -4.511 11.892 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.843 -3.802 10.276 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.812 -2.940 11.495 1.00 0.00 H new ATOM 95 N ARG A 7 1.899 -2.008 9.236 1.00 0.00 N ATOM 96 CA ARG A 7 3.022 -1.792 8.339 1.00 0.00 C ATOM 97 C ARG A 7 2.716 -0.694 7.333 1.00 0.00 C ATOM 98 O ARG A 7 3.540 0.185 7.084 1.00 0.00 O ATOM 99 CB ARG A 7 3.371 -3.089 7.606 1.00 0.00 C ATOM 100 CG ARG A 7 4.578 -2.963 6.691 1.00 0.00 C ATOM 101 CD ARG A 7 4.162 -2.692 5.255 1.00 0.00 C ATOM 102 NE ARG A 7 4.782 -3.626 4.320 1.00 0.00 N ATOM 103 CZ ARG A 7 6.007 -3.472 3.828 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.739 -2.424 4.183 1.00 0.00 N ATOM 105 NH2 ARG A 7 6.502 -4.365 2.983 1.00 0.00 N ATOM 0 H ARG A 7 1.341 -2.834 9.018 1.00 0.00 H new ATOM 0 HA ARG A 7 3.876 -1.478 8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.562 -3.872 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.511 -3.407 7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.220 -2.156 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.166 -3.880 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.077 -2.763 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.436 -1.672 4.984 1.00 0.00 H new ATOM 0 HE ARG A 7 4.245 -4.443 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.362 -1.735 4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.679 -2.307 3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.943 -5.173 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.442 -4.245 2.607 1.00 0.00 H new ATOM 119 N VAL A 8 1.528 -0.761 6.748 1.00 0.00 N ATOM 120 CA VAL A 8 1.108 0.217 5.758 1.00 0.00 C ATOM 121 C VAL A 8 1.093 1.625 6.343 1.00 0.00 C ATOM 122 O VAL A 8 1.655 2.554 5.762 1.00 0.00 O ATOM 123 CB VAL A 8 -0.288 -0.110 5.191 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.372 0.570 6.014 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.380 0.305 3.731 1.00 0.00 C ATOM 0 H VAL A 8 0.837 -1.485 6.944 1.00 0.00 H new ATOM 0 HA VAL A 8 1.836 0.172 4.948 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.441 -1.188 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.350 0.328 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.319 0.221 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.225 1.650 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.372 0.067 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.206 1.378 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.372 -0.232 3.152 1.00 0.00 H new ATOM 135 N LEU A 9 0.448 1.780 7.496 1.00 0.00 N ATOM 136 CA LEU A 9 0.369 3.082 8.153 1.00 0.00 C ATOM 137 C LEU A 9 1.762 3.614 8.474 1.00 0.00 C ATOM 138 O LEU A 9 2.057 4.787 8.245 1.00 0.00 O ATOM 139 CB LEU A 9 -0.458 2.988 9.438 1.00 0.00 C ATOM 140 CG LEU A 9 0.356 2.870 10.727 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.684 4.249 11.278 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.399 2.048 11.758 1.00 0.00 C ATOM 0 H LEU A 9 -0.025 1.025 7.993 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.120 3.773 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.094 3.871 9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.119 2.124 9.364 1.00 0.00 H new ATOM 0 HG LEU A 9 1.292 2.360 10.499 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.264 4.146 12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.265 4.806 10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.241 4.785 11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.194 1.974 12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.350 2.531 11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.583 1.049 11.363 1.00 0.00 H new ATOM 154 N GLU A 10 2.615 2.743 9.006 1.00 0.00 N ATOM 155 CA GLU A 10 3.976 3.125 9.360 1.00 0.00 C ATOM 156 C GLU A 10 4.778 3.494 8.122 1.00 0.00 C ATOM 157 O GLU A 10 5.643 4.368 8.163 1.00 0.00 O ATOM 158 CB GLU A 10 4.674 1.980 10.091 1.00 0.00 C ATOM 159 CG GLU A 10 5.135 0.865 9.166 1.00 0.00 C ATOM 160 CD GLU A 10 6.586 0.486 9.389 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.241 1.119 10.243 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.068 -0.444 8.708 1.00 0.00 O ATOM 0 H GLU A 10 2.386 1.768 9.201 1.00 0.00 H new ATOM 0 HA GLU A 10 3.919 3.995 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.535 2.374 10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.994 1.566 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.506 -0.012 9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.000 1.178 8.131 1.00 0.00 H new ATOM 169 N VAL A 11 4.488 2.810 7.028 1.00 0.00 N ATOM 170 CA VAL A 11 5.183 3.045 5.773 1.00 0.00 C ATOM 171 C VAL A 11 4.994 4.475 5.290 1.00 0.00 C ATOM 172 O VAL A 11 5.963 5.196 5.045 1.00 0.00 O ATOM 173 CB VAL A 11 4.709 2.073 4.691 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.781 2.715 3.316 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.521 0.788 4.733 1.00 0.00 C ATOM 0 H VAL A 11 3.773 2.084 6.984 1.00 0.00 H new ATOM 0 HA VAL A 11 6.244 2.879 5.961 1.00 0.00 H new ATOM 0 HB VAL A 11 3.667 1.824 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.439 2.004 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.145 3.600 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.810 3.002 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.169 0.110 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.573 1.017 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.404 0.315 5.708 1.00 0.00 H new ATOM 185 N VAL A 12 3.742 4.879 5.160 1.00 0.00 N ATOM 186 CA VAL A 12 3.413 6.225 4.711 1.00 0.00 C ATOM 187 C VAL A 12 3.894 7.264 5.716 1.00 0.00 C ATOM 188 O VAL A 12 4.565 8.233 5.355 1.00 0.00 O ATOM 189 CB VAL A 12 1.897 6.393 4.499 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.226 5.039 4.332 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.279 7.164 5.656 1.00 0.00 C ATOM 0 H VAL A 12 2.932 4.293 5.360 1.00 0.00 H new ATOM 0 HA VAL A 12 3.921 6.378 3.759 1.00 0.00 H new ATOM 0 HB VAL A 12 1.738 6.965 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.155 5.179 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.648 4.528 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.392 4.438 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.207 7.273 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.448 6.622 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.738 8.150 5.723 1.00 0.00 H new ATOM 201 N LYS A 13 3.550 7.054 6.982 1.00 0.00 N ATOM 202 CA LYS A 13 3.947 7.969 8.044 1.00 0.00 C ATOM 203 C LYS A 13 5.456 8.181 8.035 1.00 0.00 C ATOM 204 O LYS A 13 5.937 9.305 8.169 1.00 0.00 O ATOM 205 CB LYS A 13 3.504 7.427 9.405 1.00 0.00 C ATOM 206 CG LYS A 13 2.014 7.576 9.670 1.00 0.00 C ATOM 207 CD LYS A 13 1.282 8.164 8.473 1.00 0.00 C ATOM 208 CE LYS A 13 1.036 9.654 8.650 1.00 0.00 C ATOM 209 NZ LYS A 13 -0.402 10.003 8.474 1.00 0.00 N ATOM 0 H LYS A 13 2.997 6.257 7.297 1.00 0.00 H new ATOM 0 HA LYS A 13 3.460 8.928 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.771 6.372 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.056 7.945 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.589 6.602 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.862 8.216 10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.866 7.995 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.330 7.650 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.366 9.961 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.636 10.209 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.701 10.639 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.534 10.478 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.975 9.136 8.501 1.00 0.00 H new ATOM 223 N ASN A 14 6.200 7.090 7.875 1.00 0.00 N ATOM 224 CA ASN A 14 7.649 7.155 7.846 1.00 0.00 C ATOM 225 C ASN A 14 8.146 7.513 6.450 1.00 0.00 C ATOM 226 O ASN A 14 9.347 7.674 6.229 1.00 0.00 O ATOM 227 CB ASN A 14 8.251 5.821 8.290 1.00 0.00 C ATOM 228 CG ASN A 14 7.852 5.448 9.704 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.159 6.164 10.657 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.164 4.321 9.847 1.00 0.00 N ATOM 0 H ASN A 14 5.818 6.151 7.764 1.00 0.00 H new ATOM 0 HA ASN A 14 7.968 7.935 8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.930 5.035 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.338 5.876 8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.868 4.018 10.775 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.931 3.758 9.029 1.00 0.00 H new ATOM 237 N PHE A 15 7.213 7.640 5.511 1.00 0.00 N ATOM 238 CA PHE A 15 7.553 7.985 4.140 1.00 0.00 C ATOM 239 C PHE A 15 7.998 9.438 4.046 1.00 0.00 C ATOM 240 O PHE A 15 8.734 9.816 3.134 1.00 0.00 O ATOM 241 CB PHE A 15 6.358 7.742 3.217 1.00 0.00 C ATOM 242 CG PHE A 15 6.593 6.659 2.202 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.518 5.655 2.445 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.892 6.646 1.008 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.737 4.658 1.513 1.00 0.00 C ATOM 246 CE2 PHE A 15 6.108 5.652 0.073 1.00 0.00 C ATOM 247 CZ PHE A 15 7.031 4.656 0.325 1.00 0.00 C ATOM 0 H PHE A 15 6.215 7.508 5.678 1.00 0.00 H new ATOM 0 HA PHE A 15 8.378 7.348 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.490 7.480 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.116 8.669 2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.073 5.652 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.168 7.422 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.460 3.881 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.555 5.654 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.201 3.878 -0.404 1.00 0.00 H new ATOM 257 N GLU A 16 7.547 10.244 5.002 1.00 0.00 N ATOM 258 CA GLU A 16 7.894 11.662 5.046 1.00 0.00 C ATOM 259 C GLU A 16 6.673 12.533 4.769 1.00 0.00 C ATOM 260 O GLU A 16 6.785 13.753 4.647 1.00 0.00 O ATOM 261 CB GLU A 16 8.997 11.979 4.034 1.00 0.00 C ATOM 262 CG GLU A 16 8.491 12.130 2.611 1.00 0.00 C ATOM 263 CD GLU A 16 8.757 13.510 2.041 1.00 0.00 C ATOM 264 OE1 GLU A 16 8.048 14.460 2.434 1.00 0.00 O ATOM 265 OE2 GLU A 16 9.675 13.640 1.204 1.00 0.00 O ATOM 0 H GLU A 16 6.937 9.938 5.761 1.00 0.00 H new ATOM 0 HA GLU A 16 8.259 11.883 6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.498 12.900 4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.744 11.186 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.968 11.381 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.420 11.931 2.587 1.00 0.00 H new ATOM 272 N LYS A 17 5.509 11.901 4.670 1.00 0.00 N ATOM 273 CA LYS A 17 4.273 12.618 4.406 1.00 0.00 C ATOM 274 C LYS A 17 3.773 13.327 5.660 1.00 0.00 C ATOM 275 O LYS A 17 3.440 14.512 5.623 1.00 0.00 O ATOM 276 CB LYS A 17 3.202 11.659 3.885 1.00 0.00 C ATOM 277 CG LYS A 17 2.927 11.809 2.398 1.00 0.00 C ATOM 278 CD LYS A 17 3.862 10.944 1.568 1.00 0.00 C ATOM 279 CE LYS A 17 5.106 11.711 1.150 1.00 0.00 C ATOM 280 NZ LYS A 17 4.841 13.170 1.016 1.00 0.00 N ATOM 0 H LYS A 17 5.398 10.892 4.769 1.00 0.00 H new ATOM 0 HA LYS A 17 4.477 13.371 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.513 10.634 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.277 11.826 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.893 11.534 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.044 12.854 2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.152 10.064 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.338 10.587 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.895 11.552 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.471 11.320 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.558 13.597 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.896 13.315 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.884 13.618 1.954 1.00 0.00 H new ATOM 294 N VAL A 18 3.719 12.595 6.769 1.00 0.00 N ATOM 295 CA VAL A 18 3.256 13.161 8.031 1.00 0.00 C ATOM 296 C VAL A 18 3.191 12.099 9.124 1.00 0.00 C ATOM 297 O VAL A 18 3.199 10.901 8.841 1.00 0.00 O ATOM 298 CB VAL A 18 1.867 13.802 7.874 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.988 15.244 7.409 1.00 0.00 C ATOM 300 CG2 VAL A 18 1.018 12.996 6.911 1.00 0.00 C ATOM 0 H VAL A 18 3.989 11.613 6.819 1.00 0.00 H new ATOM 0 HA VAL A 18 3.977 13.926 8.319 1.00 0.00 H new ATOM 0 HB VAL A 18 1.377 13.802 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.993 15.677 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.558 15.816 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.500 15.274 6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.038 13.463 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.505 12.963 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.899 11.982 7.292 1.00 0.00 H new ATOM 310 N ASP A 19 3.127 12.549 10.373 1.00 0.00 N ATOM 311 CA ASP A 19 3.060 11.643 11.511 1.00 0.00 C ATOM 312 C ASP A 19 1.685 10.992 11.610 1.00 0.00 C ATOM 313 O ASP A 19 0.661 11.650 11.422 1.00 0.00 O ATOM 314 CB ASP A 19 3.377 12.393 12.806 1.00 0.00 C ATOM 315 CG ASP A 19 4.713 11.987 13.398 1.00 0.00 C ATOM 316 OD1 ASP A 19 5.722 12.014 12.661 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.750 11.642 14.598 1.00 0.00 O ATOM 0 H ASP A 19 3.120 13.538 10.622 1.00 0.00 H new ATOM 0 HA ASP A 19 3.802 10.859 11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.381 13.465 12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.588 12.205 13.534 1.00 0.00 H new ATOM 322 N ALA A 20 1.667 9.696 11.902 1.00 0.00 N ATOM 323 CA ALA A 20 0.419 8.956 12.023 1.00 0.00 C ATOM 324 C ALA A 20 -0.398 9.441 13.214 1.00 0.00 C ATOM 325 O ALA A 20 -1.601 9.194 13.298 1.00 0.00 O ATOM 326 CB ALA A 20 0.698 7.466 12.146 1.00 0.00 C ATOM 0 H ALA A 20 2.505 9.136 12.059 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.165 9.133 11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.244 6.926 12.236 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.231 7.121 11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.308 7.282 13.031 1.00 0.00 H new ATOM 332 N SER A 21 0.263 10.133 14.136 1.00 0.00 N ATOM 333 CA SER A 21 -0.402 10.651 15.324 1.00 0.00 C ATOM 334 C SER A 21 -1.408 11.736 14.956 1.00 0.00 C ATOM 335 O SER A 21 -2.319 12.041 15.725 1.00 0.00 O ATOM 336 CB SER A 21 0.627 11.207 16.309 1.00 0.00 C ATOM 337 OG SER A 21 0.888 10.281 17.351 1.00 0.00 O ATOM 0 H SER A 21 1.259 10.348 14.083 1.00 0.00 H new ATOM 0 HA SER A 21 -0.939 9.828 15.796 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.553 11.436 15.782 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.261 12.142 16.733 1.00 0.00 H new ATOM 0 HG SER A 21 1.550 10.659 17.966 1.00 0.00 H new ATOM 343 N LYS A 22 -1.236 12.314 13.773 1.00 0.00 N ATOM 344 CA LYS A 22 -2.123 13.364 13.299 1.00 0.00 C ATOM 345 C LYS A 22 -3.326 12.775 12.570 1.00 0.00 C ATOM 346 O LYS A 22 -4.325 13.459 12.346 1.00 0.00 O ATOM 347 CB LYS A 22 -1.367 14.312 12.365 1.00 0.00 C ATOM 348 CG LYS A 22 -1.638 14.050 10.892 1.00 0.00 C ATOM 349 CD LYS A 22 -0.485 14.512 10.014 1.00 0.00 C ATOM 350 CE LYS A 22 0.788 14.716 10.819 1.00 0.00 C ATOM 351 NZ LYS A 22 0.661 15.840 11.786 1.00 0.00 N ATOM 0 H LYS A 22 -0.487 12.071 13.124 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.481 13.920 14.165 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.643 15.340 12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.297 14.219 12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.808 12.984 10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.551 14.565 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.306 13.775 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.756 15.444 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.027 13.799 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.618 14.913 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.508 16.442 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.181 16.405 11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.567 15.460 12.750 1.00 0.00 H new ATOM 365 N VAL A 23 -3.221 11.504 12.195 1.00 0.00 N ATOM 366 CA VAL A 23 -4.296 10.826 11.485 1.00 0.00 C ATOM 367 C VAL A 23 -5.491 10.567 12.396 1.00 0.00 C ATOM 368 O VAL A 23 -5.359 9.948 13.452 1.00 0.00 O ATOM 369 CB VAL A 23 -3.820 9.486 10.893 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.612 9.699 9.993 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.500 8.497 12.002 1.00 0.00 C ATOM 0 H VAL A 23 -2.401 10.924 12.372 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.601 11.489 10.675 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.626 9.070 10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.290 8.741 9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.880 10.370 9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.800 10.138 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.165 7.556 11.565 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.712 8.903 12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.393 8.321 12.602 1.00 0.00 H new ATOM 381 N THR A 24 -6.659 11.041 11.974 1.00 0.00 N ATOM 382 CA THR A 24 -7.879 10.863 12.734 1.00 0.00 C ATOM 383 C THR A 24 -8.857 9.969 11.976 1.00 0.00 C ATOM 384 O THR A 24 -8.654 9.669 10.800 1.00 0.00 O ATOM 385 CB THR A 24 -8.524 12.216 13.037 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.679 12.396 14.433 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.885 12.389 12.399 1.00 0.00 C ATOM 0 H THR A 24 -6.780 11.555 11.101 1.00 0.00 H new ATOM 0 HA THR A 24 -7.627 10.379 13.678 1.00 0.00 H new ATOM 0 HB THR A 24 -7.847 12.958 12.615 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.092 13.268 14.607 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.285 13.370 12.655 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.792 12.306 11.316 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.560 11.616 12.766 1.00 0.00 H new ATOM 395 N PRO A 25 -9.935 9.530 12.643 1.00 0.00 N ATOM 396 CA PRO A 25 -10.946 8.666 12.026 1.00 0.00 C ATOM 397 C PRO A 25 -11.588 9.313 10.804 1.00 0.00 C ATOM 398 O PRO A 25 -11.913 8.635 9.829 1.00 0.00 O ATOM 399 CB PRO A 25 -11.987 8.468 13.137 1.00 0.00 C ATOM 400 CG PRO A 25 -11.726 9.559 14.120 1.00 0.00 C ATOM 401 CD PRO A 25 -10.253 9.841 14.042 1.00 0.00 C ATOM 0 HA PRO A 25 -10.514 7.733 11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.001 8.529 12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.885 7.487 13.602 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.307 10.449 13.879 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.012 9.254 15.127 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.026 10.879 14.287 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.685 9.219 14.734 1.00 0.00 H new ATOM 409 N GLU A 26 -11.761 10.629 10.860 1.00 0.00 N ATOM 410 CA GLU A 26 -12.355 11.371 9.760 1.00 0.00 C ATOM 411 C GLU A 26 -11.287 12.135 8.984 1.00 0.00 C ATOM 412 O GLU A 26 -11.600 13.000 8.164 1.00 0.00 O ATOM 413 CB GLU A 26 -13.416 12.340 10.283 1.00 0.00 C ATOM 414 CG GLU A 26 -14.756 12.214 9.578 1.00 0.00 C ATOM 415 CD GLU A 26 -14.614 11.802 8.126 1.00 0.00 C ATOM 416 OE1 GLU A 26 -13.843 12.458 7.396 1.00 0.00 O ATOM 417 OE2 GLU A 26 -15.275 10.823 7.719 1.00 0.00 O ATOM 0 H GLU A 26 -11.496 11.204 11.660 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.829 10.658 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.559 12.168 11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.051 13.361 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.370 11.481 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.282 13.167 9.632 1.00 0.00 H new ATOM 424 N SER A 27 -10.026 11.813 9.251 1.00 0.00 N ATOM 425 CA SER A 27 -8.909 12.472 8.585 1.00 0.00 C ATOM 426 C SER A 27 -8.889 12.155 7.094 1.00 0.00 C ATOM 427 O SER A 27 -9.005 10.998 6.690 1.00 0.00 O ATOM 428 CB SER A 27 -7.586 12.046 9.224 1.00 0.00 C ATOM 429 OG SER A 27 -7.135 13.015 10.156 1.00 0.00 O ATOM 0 H SER A 27 -9.752 11.098 9.925 1.00 0.00 H new ATOM 0 HA SER A 27 -9.037 13.548 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.713 11.086 9.725 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.833 11.904 8.449 1.00 0.00 H new ATOM 0 HG SER A 27 -6.156 13.004 10.192 1.00 0.00 H new ATOM 435 N HIS A 28 -8.739 13.194 6.279 1.00 0.00 N ATOM 436 CA HIS A 28 -8.700 13.036 4.836 1.00 0.00 C ATOM 437 C HIS A 28 -7.320 12.573 4.381 1.00 0.00 C ATOM 438 O HIS A 28 -6.309 12.894 5.007 1.00 0.00 O ATOM 439 CB HIS A 28 -9.063 14.353 4.146 1.00 0.00 C ATOM 440 CG HIS A 28 -10.518 14.473 3.816 1.00 0.00 C ATOM 441 ND1 HIS A 28 -11.334 13.383 3.598 1.00 0.00 N ATOM 442 CD2 HIS A 28 -11.305 15.566 3.666 1.00 0.00 C ATOM 443 CE1 HIS A 28 -12.559 13.799 3.329 1.00 0.00 C ATOM 444 NE2 HIS A 28 -12.567 15.119 3.365 1.00 0.00 N ATOM 0 H HIS A 28 -8.642 14.158 6.599 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.431 12.277 4.557 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.775 15.183 4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.482 14.446 3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.997 16.596 3.765 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.409 13.167 3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -13.380 15.711 3.196 1.00 0.00 H new ATOM 453 N PHE A 29 -7.282 11.813 3.292 1.00 0.00 N ATOM 454 CA PHE A 29 -6.025 11.304 2.761 1.00 0.00 C ATOM 455 C PHE A 29 -5.167 12.440 2.215 1.00 0.00 C ATOM 456 O PHE A 29 -5.178 13.550 2.748 1.00 0.00 O ATOM 457 CB PHE A 29 -6.291 10.275 1.661 1.00 0.00 C ATOM 458 CG PHE A 29 -5.282 9.163 1.624 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.071 9.286 2.286 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.544 7.996 0.926 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.141 8.265 2.254 1.00 0.00 C ATOM 462 CE2 PHE A 29 -4.617 6.971 0.889 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.414 7.106 1.554 1.00 0.00 C ATOM 0 H PHE A 29 -8.108 11.536 2.761 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.483 10.822 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.284 9.849 1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.298 10.781 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.852 10.191 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.483 7.885 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.202 8.373 2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.833 6.066 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.688 6.307 1.527 1.00 0.00 H new ATOM 473 N VAL A 30 -4.423 12.156 1.152 1.00 0.00 N ATOM 474 CA VAL A 30 -3.557 13.156 0.537 1.00 0.00 C ATOM 475 C VAL A 30 -4.108 14.559 0.742 1.00 0.00 C ATOM 476 O VAL A 30 -3.356 15.528 0.849 1.00 0.00 O ATOM 477 CB VAL A 30 -3.380 12.899 -0.971 1.00 0.00 C ATOM 478 CG1 VAL A 30 -3.521 11.417 -1.281 1.00 0.00 C ATOM 479 CG2 VAL A 30 -4.381 13.717 -1.773 1.00 0.00 C ATOM 0 H VAL A 30 -4.402 11.243 0.698 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.586 13.075 1.025 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.376 13.212 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.393 11.255 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.761 10.857 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.511 11.075 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.241 13.523 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.394 13.438 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.226 14.778 -1.575 1.00 0.00 H new ATOM 489 N LYS A 31 -5.427 14.656 0.795 1.00 0.00 N ATOM 490 CA LYS A 31 -6.099 15.934 0.985 1.00 0.00 C ATOM 491 C LYS A 31 -5.788 16.520 2.359 1.00 0.00 C ATOM 492 O LYS A 31 -5.419 17.688 2.478 1.00 0.00 O ATOM 493 CB LYS A 31 -7.610 15.767 0.820 1.00 0.00 C ATOM 494 CG LYS A 31 -8.013 15.143 -0.507 1.00 0.00 C ATOM 495 CD LYS A 31 -8.162 13.635 -0.390 1.00 0.00 C ATOM 496 CE LYS A 31 -7.653 12.927 -1.635 1.00 0.00 C ATOM 497 NZ LYS A 31 -7.738 11.446 -1.507 1.00 0.00 N ATOM 0 H LYS A 31 -6.058 13.859 0.709 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.729 16.624 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.989 15.148 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.087 16.743 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.954 15.578 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.264 15.378 -1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.612 13.281 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.210 13.383 -0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.233 13.250 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.618 13.216 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.611 11.009 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.993 11.110 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.669 11.183 -1.126 1.00 0.00 H new ATOM 511 N ASP A 32 -5.944 15.701 3.395 1.00 0.00 N ATOM 512 CA ASP A 32 -5.687 16.135 4.757 1.00 0.00 C ATOM 513 C ASP A 32 -4.218 15.957 5.122 1.00 0.00 C ATOM 514 O ASP A 32 -3.839 16.082 6.287 1.00 0.00 O ATOM 515 CB ASP A 32 -6.566 15.357 5.738 1.00 0.00 C ATOM 516 CG ASP A 32 -7.490 16.261 6.528 1.00 0.00 C ATOM 517 OD1 ASP A 32 -8.335 16.938 5.906 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.369 16.292 7.772 1.00 0.00 O ATOM 0 H ASP A 32 -6.248 14.731 3.313 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.931 17.195 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.159 14.626 5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.931 14.799 6.427 1.00 0.00 H new ATOM 523 N LEU A 33 -3.395 15.664 4.119 1.00 0.00 N ATOM 524 CA LEU A 33 -1.964 15.466 4.327 1.00 0.00 C ATOM 525 C LEU A 33 -1.581 14.009 4.095 1.00 0.00 C ATOM 526 O LEU A 33 -0.760 13.449 4.822 1.00 0.00 O ATOM 527 CB LEU A 33 -1.559 15.894 5.739 1.00 0.00 C ATOM 528 CG LEU A 33 -1.836 17.360 6.076 1.00 0.00 C ATOM 529 CD1 LEU A 33 -2.328 17.494 7.509 1.00 0.00 C ATOM 530 CD2 LEU A 33 -0.587 18.201 5.859 1.00 0.00 C ATOM 0 H LEU A 33 -3.696 15.558 3.150 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.431 16.086 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.086 15.266 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.494 15.702 5.869 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.617 17.726 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.520 18.544 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.248 16.923 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.569 17.112 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.802 19.241 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.214 17.835 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.277 18.130 4.816 1.00 0.00 H new ATOM 542 N GLY A 34 -2.182 13.399 3.079 1.00 0.00 N ATOM 543 CA GLY A 34 -1.892 12.013 2.770 1.00 0.00 C ATOM 544 C GLY A 34 -0.850 11.867 1.677 1.00 0.00 C ATOM 545 O GLY A 34 -0.258 12.853 1.239 1.00 0.00 O ATOM 0 H GLY A 34 -2.865 13.841 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.542 11.509 3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.810 11.513 2.461 1.00 0.00 H new ATOM 549 N LEU A 35 -0.627 10.633 1.239 1.00 0.00 N ATOM 550 CA LEU A 35 0.349 10.358 0.192 1.00 0.00 C ATOM 551 C LEU A 35 -0.085 10.975 -1.134 1.00 0.00 C ATOM 552 O LEU A 35 -1.193 10.727 -1.610 1.00 0.00 O ATOM 553 CB LEU A 35 0.536 8.848 0.029 1.00 0.00 C ATOM 554 CG LEU A 35 1.251 8.154 1.188 1.00 0.00 C ATOM 555 CD1 LEU A 35 2.726 7.960 0.867 1.00 0.00 C ATOM 556 CD2 LEU A 35 1.084 8.953 2.473 1.00 0.00 C ATOM 0 H LEU A 35 -1.109 9.807 1.593 1.00 0.00 H new ATOM 0 HA LEU A 35 1.298 10.807 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.444 8.388 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.098 8.664 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 35 0.799 7.172 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.218 7.464 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.826 7.346 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.192 8.930 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.599 8.444 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.509 9.948 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.024 9.040 2.712 1.00 0.00 H new ATOM 568 N ASN A 36 0.793 11.778 -1.726 1.00 0.00 N ATOM 569 CA ASN A 36 0.497 12.425 -2.997 1.00 0.00 C ATOM 570 C ASN A 36 0.410 11.398 -4.122 1.00 0.00 C ATOM 571 O ASN A 36 0.225 10.207 -3.871 1.00 0.00 O ATOM 572 CB ASN A 36 1.555 13.480 -3.320 1.00 0.00 C ATOM 573 CG ASN A 36 2.814 12.877 -3.899 1.00 0.00 C ATOM 574 OD1 ASN A 36 3.617 12.284 -3.181 1.00 0.00 O ATOM 575 ND2 ASN A 36 2.994 13.029 -5.205 1.00 0.00 N ATOM 0 H ASN A 36 1.714 11.995 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.471 12.918 -2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.142 14.200 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.803 14.031 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.826 12.646 -5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.300 13.529 -5.761 1.00 0.00 H new ATOM 582 N SER A 37 0.534 11.862 -5.361 1.00 0.00 N ATOM 583 CA SER A 37 0.456 10.973 -6.516 1.00 0.00 C ATOM 584 C SER A 37 1.602 9.972 -6.524 1.00 0.00 C ATOM 585 O SER A 37 1.388 8.761 -6.435 1.00 0.00 O ATOM 586 CB SER A 37 0.468 11.787 -7.811 1.00 0.00 C ATOM 587 OG SER A 37 1.766 11.827 -8.378 1.00 0.00 O ATOM 0 H SER A 37 0.688 12.844 -5.591 1.00 0.00 H new ATOM 0 HA SER A 37 -0.479 10.418 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.230 11.350 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.125 12.802 -7.609 1.00 0.00 H new ATOM 0 HG SER A 37 1.746 12.352 -9.205 1.00 0.00 H new ATOM 592 N LEU A 38 2.817 10.487 -6.626 1.00 0.00 N ATOM 593 CA LEU A 38 4.002 9.639 -6.648 1.00 0.00 C ATOM 594 C LEU A 38 4.139 8.876 -5.338 1.00 0.00 C ATOM 595 O LEU A 38 4.866 7.884 -5.253 1.00 0.00 O ATOM 596 CB LEU A 38 5.258 10.473 -6.941 1.00 0.00 C ATOM 597 CG LEU A 38 5.992 11.051 -5.735 1.00 0.00 C ATOM 598 CD1 LEU A 38 6.483 12.458 -6.039 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.111 11.057 -4.499 1.00 0.00 C ATOM 0 H LEU A 38 3.010 11.486 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 38 3.891 8.909 -7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.957 9.851 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.974 11.298 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 38 6.851 10.412 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.005 12.857 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.164 12.430 -6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.632 13.097 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.666 11.475 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.225 11.663 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.809 10.037 -4.263 1.00 0.00 H new ATOM 611 N ASP A 39 3.417 9.334 -4.322 1.00 0.00 N ATOM 612 CA ASP A 39 3.440 8.688 -3.020 1.00 0.00 C ATOM 613 C ASP A 39 2.516 7.482 -3.025 1.00 0.00 C ATOM 614 O ASP A 39 2.946 6.359 -3.277 1.00 0.00 O ATOM 615 CB ASP A 39 3.020 9.670 -1.925 1.00 0.00 C ATOM 616 CG ASP A 39 4.134 10.626 -1.547 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.301 10.344 -1.896 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.841 11.655 -0.905 1.00 0.00 O ATOM 0 H ASP A 39 2.809 10.151 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 39 4.458 8.357 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.155 10.240 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.708 9.113 -1.042 1.00 0.00 H new ATOM 623 N VAL A 40 1.245 7.728 -2.760 1.00 0.00 N ATOM 624 CA VAL A 40 0.254 6.662 -2.746 1.00 0.00 C ATOM 625 C VAL A 40 0.652 5.545 -3.702 1.00 0.00 C ATOM 626 O VAL A 40 0.433 4.368 -3.418 1.00 0.00 O ATOM 627 CB VAL A 40 -1.144 7.180 -3.130 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.473 6.819 -4.570 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.194 6.626 -2.179 1.00 0.00 C ATOM 0 H VAL A 40 0.873 8.655 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 40 0.215 6.277 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.146 8.267 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.465 7.194 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.736 7.268 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.454 5.735 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.177 7.001 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.193 5.537 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.966 6.942 -1.161 1.00 0.00 H new ATOM 639 N VAL A 41 1.241 5.917 -4.837 1.00 0.00 N ATOM 640 CA VAL A 41 1.670 4.938 -5.825 1.00 0.00 C ATOM 641 C VAL A 41 2.873 4.144 -5.326 1.00 0.00 C ATOM 642 O VAL A 41 2.932 2.925 -5.487 1.00 0.00 O ATOM 643 CB VAL A 41 2.030 5.600 -7.168 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.100 4.557 -8.271 1.00 0.00 C ATOM 645 CG2 VAL A 41 1.025 6.687 -7.513 1.00 0.00 C ATOM 0 H VAL A 41 1.430 6.886 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 41 0.827 4.264 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 41 3.012 6.064 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.355 5.041 -9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.862 3.817 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.133 4.063 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.295 7.144 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.029 6.251 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.029 7.447 -6.732 1.00 0.00 H new ATOM 655 N GLU A 42 3.831 4.840 -4.718 1.00 0.00 N ATOM 656 CA GLU A 42 5.026 4.190 -4.197 1.00 0.00 C ATOM 657 C GLU A 42 4.675 3.283 -3.026 1.00 0.00 C ATOM 658 O GLU A 42 5.166 2.160 -2.921 1.00 0.00 O ATOM 659 CB GLU A 42 6.055 5.235 -3.763 1.00 0.00 C ATOM 660 CG GLU A 42 7.107 5.524 -4.821 1.00 0.00 C ATOM 661 CD GLU A 42 8.445 5.908 -4.223 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.803 5.353 -3.163 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.137 6.763 -4.815 1.00 0.00 O ATOM 0 H GLU A 42 3.802 5.850 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 42 5.458 3.581 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.538 6.161 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.549 4.891 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.234 4.644 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.757 6.330 -5.466 1.00 0.00 H new ATOM 670 N VAL A 43 3.816 3.785 -2.154 1.00 0.00 N ATOM 671 CA VAL A 43 3.375 3.041 -0.987 1.00 0.00 C ATOM 672 C VAL A 43 2.519 1.855 -1.397 1.00 0.00 C ATOM 673 O VAL A 43 2.695 0.743 -0.899 1.00 0.00 O ATOM 674 CB VAL A 43 2.575 3.937 -0.025 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.136 5.213 -0.726 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.381 3.190 0.532 1.00 0.00 C ATOM 0 H VAL A 43 3.407 4.716 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 43 4.267 2.682 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 43 3.222 4.211 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.572 5.834 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.014 5.759 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.507 4.961 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.829 3.841 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.730 2.882 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.724 2.309 1.074 1.00 0.00 H new ATOM 686 N VAL A 44 1.605 2.100 -2.322 1.00 0.00 N ATOM 687 CA VAL A 44 0.728 1.051 -2.820 1.00 0.00 C ATOM 688 C VAL A 44 1.559 -0.080 -3.400 1.00 0.00 C ATOM 689 O VAL A 44 1.230 -1.255 -3.249 1.00 0.00 O ATOM 690 CB VAL A 44 -0.233 1.579 -3.903 1.00 0.00 C ATOM 691 CG1 VAL A 44 -1.287 2.482 -3.285 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.537 2.311 -4.990 1.00 0.00 C ATOM 0 H VAL A 44 1.451 3.016 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 44 0.133 0.691 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.739 0.729 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.957 2.846 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.860 1.920 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.802 3.329 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.159 2.676 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.073 3.153 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.250 1.629 -5.453 1.00 0.00 H new ATOM 702 N PHE A 45 2.655 0.291 -4.051 1.00 0.00 N ATOM 703 CA PHE A 45 3.558 -0.678 -4.642 1.00 0.00 C ATOM 704 C PHE A 45 4.235 -1.491 -3.552 1.00 0.00 C ATOM 705 O PHE A 45 4.545 -2.669 -3.730 1.00 0.00 O ATOM 706 CB PHE A 45 4.605 0.037 -5.495 1.00 0.00 C ATOM 707 CG PHE A 45 4.497 -0.279 -6.955 1.00 0.00 C ATOM 708 CD1 PHE A 45 4.854 -1.529 -7.424 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.038 0.669 -7.854 1.00 0.00 C ATOM 710 CE1 PHE A 45 4.758 -1.833 -8.770 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.940 0.374 -9.201 1.00 0.00 C ATOM 712 CZ PHE A 45 4.300 -0.879 -9.659 1.00 0.00 C ATOM 0 H PHE A 45 2.937 1.262 -4.181 1.00 0.00 H new ATOM 0 HA PHE A 45 2.987 -1.353 -5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.504 1.113 -5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.599 -0.238 -5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.212 -2.277 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.754 1.649 -7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.040 -2.813 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.583 1.121 -9.894 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.224 -1.113 -10.711 1.00 0.00 H new ATOM 722 N ALA A 46 4.452 -0.842 -2.418 1.00 0.00 N ATOM 723 CA ALA A 46 5.084 -1.475 -1.271 1.00 0.00 C ATOM 724 C ALA A 46 4.188 -2.555 -0.680 1.00 0.00 C ATOM 725 O ALA A 46 4.306 -3.734 -1.016 1.00 0.00 O ATOM 726 CB ALA A 46 5.419 -0.432 -0.214 1.00 0.00 C ATOM 0 H ALA A 46 4.196 0.134 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 46 6.006 -1.947 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.892 -0.918 0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.101 0.306 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.504 0.063 0.111 1.00 0.00 H new ATOM 732 N ILE A 47 3.290 -2.139 0.200 1.00 0.00 N ATOM 733 CA ILE A 47 2.362 -3.059 0.846 1.00 0.00 C ATOM 734 C ILE A 47 1.908 -4.147 -0.120 1.00 0.00 C ATOM 735 O ILE A 47 1.945 -5.336 0.202 1.00 0.00 O ATOM 736 CB ILE A 47 1.125 -2.320 1.388 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.708 -1.205 0.428 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.409 -1.757 2.773 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.969 0.184 0.963 1.00 0.00 C ATOM 0 H ILE A 47 3.183 -1.166 0.485 1.00 0.00 H new ATOM 0 HA ILE A 47 2.896 -3.516 1.679 1.00 0.00 H new ATOM 0 HB ILE A 47 0.302 -3.030 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.243 -1.329 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.354 -1.306 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.525 -1.237 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.662 -2.571 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.244 -1.058 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.648 0.923 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.412 0.328 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.035 0.305 1.158 1.00 0.00 H new ATOM 751 N GLU A 48 1.484 -3.737 -1.311 1.00 0.00 N ATOM 752 CA GLU A 48 1.029 -4.686 -2.318 1.00 0.00 C ATOM 753 C GLU A 48 2.111 -5.720 -2.591 1.00 0.00 C ATOM 754 O GLU A 48 1.824 -6.896 -2.817 1.00 0.00 O ATOM 755 CB GLU A 48 0.653 -3.957 -3.609 1.00 0.00 C ATOM 756 CG GLU A 48 -0.483 -2.962 -3.433 1.00 0.00 C ATOM 757 CD GLU A 48 -0.621 -2.482 -2.002 1.00 0.00 C ATOM 758 OE1 GLU A 48 -1.045 -3.285 -1.144 1.00 0.00 O ATOM 759 OE2 GLU A 48 -0.306 -1.303 -1.738 1.00 0.00 O ATOM 0 H GLU A 48 1.446 -2.760 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 48 0.143 -5.197 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.529 -3.433 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.369 -4.692 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.315 -2.105 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.418 -3.424 -3.749 1.00 0.00 H new ATOM 766 N GLN A 49 3.357 -5.271 -2.550 1.00 0.00 N ATOM 767 CA GLN A 49 4.494 -6.152 -2.775 1.00 0.00 C ATOM 768 C GLN A 49 4.490 -7.282 -1.754 1.00 0.00 C ATOM 769 O GLN A 49 4.768 -8.434 -2.085 1.00 0.00 O ATOM 770 CB GLN A 49 5.806 -5.370 -2.686 1.00 0.00 C ATOM 771 CG GLN A 49 6.076 -4.495 -3.900 1.00 0.00 C ATOM 772 CD GLN A 49 7.205 -5.024 -4.761 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.033 -5.812 -4.304 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.244 -4.593 -6.016 1.00 0.00 N ATOM 0 H GLN A 49 3.607 -4.300 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 49 4.410 -6.576 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.786 -4.744 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.631 -6.072 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.169 -4.424 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.319 -3.485 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.537 -3.940 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.981 -4.915 -6.643 1.00 0.00 H new ATOM 783 N GLU A 50 4.163 -6.944 -0.508 1.00 0.00 N ATOM 784 CA GLU A 50 4.112 -7.926 0.554 1.00 0.00 C ATOM 785 C GLU A 50 2.677 -8.140 1.029 1.00 0.00 C ATOM 786 O GLU A 50 2.429 -8.383 2.209 1.00 0.00 O ATOM 787 CB GLU A 50 4.998 -7.488 1.724 1.00 0.00 C ATOM 788 CG GLU A 50 4.617 -8.121 3.053 1.00 0.00 C ATOM 789 CD GLU A 50 4.349 -9.609 2.936 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.020 -10.066 1.820 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.469 -10.317 3.958 1.00 0.00 O ATOM 0 H GLU A 50 3.931 -5.994 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 50 4.486 -8.872 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.034 -7.739 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.946 -6.404 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.419 -7.956 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.729 -7.626 3.446 1.00 0.00 H new ATOM 798 N PHE A 51 1.737 -8.051 0.093 1.00 0.00 N ATOM 799 CA PHE A 51 0.329 -8.237 0.401 1.00 0.00 C ATOM 800 C PHE A 51 -0.368 -9.107 -0.648 1.00 0.00 C ATOM 801 O PHE A 51 -1.515 -9.513 -0.461 1.00 0.00 O ATOM 802 CB PHE A 51 -0.378 -6.886 0.516 1.00 0.00 C ATOM 803 CG PHE A 51 -0.186 -6.217 1.847 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.360 -6.911 2.916 1.00 0.00 C ATOM 805 CD2 PHE A 51 -0.547 -4.892 2.029 1.00 0.00 C ATOM 806 CE1 PHE A 51 0.540 -6.296 4.140 1.00 0.00 C ATOM 807 CE2 PHE A 51 -0.369 -4.272 3.251 1.00 0.00 C ATOM 808 CZ PHE A 51 0.175 -4.974 4.308 1.00 0.00 C ATOM 0 H PHE A 51 1.929 -7.850 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 51 0.269 -8.753 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.011 -6.225 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.444 -7.028 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.648 -7.944 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.973 -4.337 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.966 -6.848 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.655 -3.239 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.315 -4.491 5.264 1.00 0.00 H new ATOM 818 N ILE A 52 0.327 -9.394 -1.747 1.00 0.00 N ATOM 819 CA ILE A 52 -0.234 -10.218 -2.812 1.00 0.00 C ATOM 820 C ILE A 52 -1.424 -9.535 -3.478 1.00 0.00 C ATOM 821 O ILE A 52 -2.380 -10.192 -3.887 1.00 0.00 O ATOM 822 CB ILE A 52 -0.682 -11.594 -2.283 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.055 -11.870 -0.917 1.00 0.00 C ATOM 824 CG2 ILE A 52 -0.315 -12.689 -3.272 1.00 0.00 C ATOM 825 CD1 ILE A 52 -1.071 -11.995 0.197 1.00 0.00 C ATOM 0 H ILE A 52 1.278 -9.068 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 52 0.559 -10.356 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.766 -11.585 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.528 -12.790 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.640 -11.066 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.639 -13.654 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.808 -12.498 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.765 -12.700 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.557 -12.191 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.637 -11.067 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.752 -12.817 -0.022 1.00 0.00 H new ATOM 837 N LEU A 53 -1.358 -8.212 -3.586 1.00 0.00 N ATOM 838 CA LEU A 53 -2.428 -7.444 -4.207 1.00 0.00 C ATOM 839 C LEU A 53 -2.009 -5.992 -4.414 1.00 0.00 C ATOM 840 O LEU A 53 -1.437 -5.368 -3.521 1.00 0.00 O ATOM 841 CB LEU A 53 -3.694 -7.506 -3.350 1.00 0.00 C ATOM 842 CG LEU A 53 -4.989 -7.754 -4.125 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.150 -6.729 -5.237 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.006 -9.166 -4.692 1.00 0.00 C ATOM 0 H LEU A 53 -0.575 -7.651 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.637 -7.884 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.575 -8.297 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.790 -6.568 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.829 -7.648 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.077 -6.921 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.181 -5.728 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.307 -6.802 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.934 -9.327 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.159 -9.298 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.937 -9.886 -3.877 1.00 0.00 H new ATOM 856 N ASP A 54 -2.296 -5.462 -5.599 1.00 0.00 N ATOM 857 CA ASP A 54 -1.950 -4.090 -5.927 1.00 0.00 C ATOM 858 C ASP A 54 -3.090 -3.138 -5.576 1.00 0.00 C ATOM 859 O ASP A 54 -4.263 -3.472 -5.738 1.00 0.00 O ATOM 860 CB ASP A 54 -1.608 -3.970 -7.413 1.00 0.00 C ATOM 861 CG ASP A 54 -2.821 -4.158 -8.304 1.00 0.00 C ATOM 862 OD1 ASP A 54 -3.854 -3.505 -8.044 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.738 -4.958 -9.258 1.00 0.00 O ATOM 0 H ASP A 54 -2.769 -5.967 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.077 -3.812 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.169 -2.991 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.853 -4.713 -7.670 1.00 0.00 H new ATOM 868 N ILE A 55 -2.735 -1.949 -5.097 1.00 0.00 N ATOM 869 CA ILE A 55 -3.723 -0.949 -4.725 1.00 0.00 C ATOM 870 C ILE A 55 -4.001 0.011 -5.877 1.00 0.00 C ATOM 871 O ILE A 55 -5.095 0.565 -5.986 1.00 0.00 O ATOM 872 CB ILE A 55 -3.268 -0.139 -3.497 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.181 -1.041 -2.265 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.221 1.020 -3.245 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.437 -0.412 -1.109 1.00 0.00 C ATOM 0 H ILE A 55 -1.768 -1.657 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.637 -1.489 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.276 0.267 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.189 -1.298 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.687 -1.973 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.886 1.583 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.236 1.675 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.224 0.634 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.414 -1.107 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.417 -0.180 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.943 0.505 -0.807 1.00 0.00 H new ATOM 887 N PRO A 56 -3.008 0.220 -6.754 1.00 0.00 N ATOM 888 CA PRO A 56 -3.142 1.119 -7.903 1.00 0.00 C ATOM 889 C PRO A 56 -4.463 0.927 -8.640 1.00 0.00 C ATOM 890 O PRO A 56 -5.363 0.243 -8.155 1.00 0.00 O ATOM 891 CB PRO A 56 -1.967 0.717 -8.793 1.00 0.00 C ATOM 892 CG PRO A 56 -0.929 0.229 -7.841 1.00 0.00 C ATOM 893 CD PRO A 56 -1.673 -0.404 -6.693 1.00 0.00 C ATOM 0 HA PRO A 56 -3.136 2.168 -7.608 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.253 -0.061 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.604 1.563 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.269 -0.493 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.303 1.051 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.732 -1.487 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.182 -0.206 -5.740 1.00 0.00 H new ATOM 901 N ASP A 57 -4.572 1.539 -9.816 1.00 0.00 N ATOM 902 CA ASP A 57 -5.783 1.438 -10.620 1.00 0.00 C ATOM 903 C ASP A 57 -6.938 2.182 -9.957 1.00 0.00 C ATOM 904 O ASP A 57 -6.834 2.614 -8.809 1.00 0.00 O ATOM 905 CB ASP A 57 -6.161 -0.029 -10.830 1.00 0.00 C ATOM 906 CG ASP A 57 -5.625 -0.582 -12.137 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.756 0.107 -13.171 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.076 -1.704 -12.127 1.00 0.00 O ATOM 0 H ASP A 57 -3.836 2.110 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.585 1.897 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.775 -0.623 -10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.246 -0.128 -10.815 1.00 0.00 H new ATOM 913 N HIS A 58 -8.038 2.328 -10.687 1.00 0.00 N ATOM 914 CA HIS A 58 -9.212 3.019 -10.169 1.00 0.00 C ATOM 915 C HIS A 58 -9.439 2.676 -8.699 1.00 0.00 C ATOM 916 O HIS A 58 -10.051 3.446 -7.960 1.00 0.00 O ATOM 917 CB HIS A 58 -10.451 2.651 -10.987 1.00 0.00 C ATOM 918 CG HIS A 58 -10.492 3.302 -12.336 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.350 2.902 -13.339 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.775 4.332 -12.845 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.158 3.657 -14.406 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.209 4.531 -14.132 1.00 0.00 N ATOM 0 H HIS A 58 -8.141 1.977 -11.639 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.037 4.092 -10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.485 1.569 -11.113 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.343 2.935 -10.428 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.006 4.892 -12.334 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.688 3.573 -15.343 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.855 5.241 -14.773 1.00 0.00 H new ATOM 931 N ASP A 59 -8.943 1.515 -8.285 1.00 0.00 N ATOM 932 CA ASP A 59 -9.091 1.068 -6.907 1.00 0.00 C ATOM 933 C ASP A 59 -8.318 1.973 -5.953 1.00 0.00 C ATOM 934 O ASP A 59 -8.830 2.368 -4.905 1.00 0.00 O ATOM 935 CB ASP A 59 -8.607 -0.375 -6.762 1.00 0.00 C ATOM 936 CG ASP A 59 -8.984 -1.234 -7.954 1.00 0.00 C ATOM 937 OD1 ASP A 59 -8.659 -0.842 -9.094 1.00 0.00 O ATOM 938 OD2 ASP A 59 -9.605 -2.298 -7.747 1.00 0.00 O ATOM 0 H ASP A 59 -8.434 0.866 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.149 1.118 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.524 -0.382 -6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.032 -0.808 -5.856 1.00 0.00 H new ATOM 943 N ALA A 60 -7.083 2.299 -6.322 1.00 0.00 N ATOM 944 CA ALA A 60 -6.242 3.157 -5.497 1.00 0.00 C ATOM 945 C ALA A 60 -6.760 4.588 -5.488 1.00 0.00 C ATOM 946 O ALA A 60 -6.549 5.331 -4.530 1.00 0.00 O ATOM 947 CB ALA A 60 -4.802 3.116 -5.989 1.00 0.00 C ATOM 0 H ALA A 60 -6.644 1.982 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.275 2.781 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.185 3.761 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.428 2.094 -5.935 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.760 3.464 -7.021 1.00 0.00 H new ATOM 953 N GLU A 61 -7.439 4.966 -6.562 1.00 0.00 N ATOM 954 CA GLU A 61 -7.990 6.307 -6.686 1.00 0.00 C ATOM 955 C GLU A 61 -9.334 6.414 -5.971 1.00 0.00 C ATOM 956 O GLU A 61 -9.735 7.495 -5.539 1.00 0.00 O ATOM 957 CB GLU A 61 -8.154 6.680 -8.161 1.00 0.00 C ATOM 958 CG GLU A 61 -6.893 7.257 -8.785 1.00 0.00 C ATOM 959 CD GLU A 61 -5.882 6.187 -9.151 1.00 0.00 C ATOM 960 OE1 GLU A 61 -6.304 5.057 -9.472 1.00 0.00 O ATOM 961 OE2 GLU A 61 -4.668 6.481 -9.114 1.00 0.00 O ATOM 0 H GLU A 61 -7.622 4.360 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.293 7.002 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.454 5.794 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.962 7.406 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.160 7.821 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.436 7.960 -8.089 1.00 0.00 H new ATOM 968 N LYS A 62 -10.027 5.286 -5.853 1.00 0.00 N ATOM 969 CA LYS A 62 -11.325 5.250 -5.194 1.00 0.00 C ATOM 970 C LYS A 62 -11.180 5.396 -3.683 1.00 0.00 C ATOM 971 O LYS A 62 -12.141 5.208 -2.937 1.00 0.00 O ATOM 972 CB LYS A 62 -12.051 3.944 -5.525 1.00 0.00 C ATOM 973 CG LYS A 62 -12.636 3.910 -6.927 1.00 0.00 C ATOM 974 CD LYS A 62 -13.154 2.526 -7.280 1.00 0.00 C ATOM 975 CE LYS A 62 -13.769 2.500 -8.670 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.296 3.635 -9.509 1.00 0.00 N ATOM 0 H LYS A 62 -9.709 4.383 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.912 6.091 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.355 3.113 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.853 3.791 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.448 4.634 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.875 4.210 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.337 1.806 -7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.898 2.216 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.520 1.559 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.855 2.538 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.465 3.419 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.813 4.499 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.278 3.781 -9.353 1.00 0.00 H new ATOM 990 N ILE A 63 -9.974 5.730 -3.236 1.00 0.00 N ATOM 991 CA ILE A 63 -9.708 5.897 -1.817 1.00 0.00 C ATOM 992 C ILE A 63 -9.543 7.370 -1.457 1.00 0.00 C ATOM 993 O ILE A 63 -8.679 8.060 -1.998 1.00 0.00 O ATOM 994 CB ILE A 63 -8.444 5.130 -1.386 1.00 0.00 C ATOM 995 CG1 ILE A 63 -7.191 5.824 -1.921 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.507 3.690 -1.873 1.00 0.00 C ATOM 997 CD1 ILE A 63 -5.962 4.941 -1.919 1.00 0.00 C ATOM 0 H ILE A 63 -9.167 5.890 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.568 5.490 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.395 5.124 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.381 6.165 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.992 6.711 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.607 3.161 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.382 3.200 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.577 3.676 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.112 5.499 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.746 4.620 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.141 4.066 -2.544 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.378 7.845 -0.537 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.328 9.228 -0.102 1.00 0.00 C ATOM 1011 C GLN A 64 -10.005 9.322 1.385 1.00 0.00 C ATOM 1012 O GLN A 64 -9.217 10.169 1.807 1.00 0.00 O ATOM 1013 CB GLN A 64 -11.656 9.928 -0.397 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.011 9.964 -1.874 1.00 0.00 C ATOM 1015 CD GLN A 64 -11.007 10.749 -2.695 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -11.316 11.820 -3.217 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -9.796 10.218 -2.815 1.00 0.00 N ATOM 0 H GLN A 64 -11.098 7.286 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.534 9.727 -0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.453 9.421 0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.611 10.949 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.069 8.944 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.000 10.406 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.583 9.328 -2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.079 10.700 -3.357 1.00 0.00 H new ATOM 1026 N SER A 65 -10.621 8.449 2.176 1.00 0.00 N ATOM 1027 CA SER A 65 -10.401 8.435 3.617 1.00 0.00 C ATOM 1028 C SER A 65 -9.238 7.519 3.984 1.00 0.00 C ATOM 1029 O SER A 65 -8.767 6.735 3.161 1.00 0.00 O ATOM 1030 CB SER A 65 -11.670 7.979 4.342 1.00 0.00 C ATOM 1031 OG SER A 65 -11.798 8.621 5.599 1.00 0.00 O ATOM 0 H SER A 65 -11.276 7.742 1.843 1.00 0.00 H new ATOM 0 HA SER A 65 -10.153 9.449 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.543 8.199 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.644 6.898 4.483 1.00 0.00 H new ATOM 0 HG SER A 65 -12.617 8.314 6.041 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.777 7.628 5.226 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.670 6.815 5.705 1.00 0.00 C ATOM 1039 C ILE A 66 -8.115 5.380 5.967 1.00 0.00 C ATOM 1040 O ILE A 66 -7.454 4.426 5.554 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.063 7.395 6.998 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.388 8.881 7.122 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.559 7.169 7.029 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -8.447 9.182 8.161 1.00 0.00 C ATOM 0 H ILE A 66 -9.156 8.274 5.919 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.912 6.822 4.922 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.504 6.877 7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.477 9.424 7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.723 9.254 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.147 7.585 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.351 6.100 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.100 7.660 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.628 10.256 8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.371 8.667 7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.106 8.840 9.138 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.249 5.213 6.664 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.793 3.891 6.989 1.00 0.00 C ATOM 1058 C PRO A 67 -10.299 3.153 5.755 1.00 0.00 C ATOM 1059 O PRO A 67 -10.366 1.925 5.740 1.00 0.00 O ATOM 1060 CB PRO A 67 -10.952 4.204 7.938 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.351 5.599 7.604 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.089 6.302 7.190 1.00 0.00 C ATOM 0 HA PRO A 67 -9.037 3.236 7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.780 3.510 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.644 4.119 8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.087 5.613 6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.808 6.091 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.282 7.062 6.433 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.614 6.805 8.033 1.00 0.00 H new ATOM 1070 N ASP A 68 -10.657 3.908 4.722 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.158 3.324 3.486 1.00 0.00 C ATOM 1072 C ASP A 68 -10.056 2.563 2.760 1.00 0.00 C ATOM 1073 O ASP A 68 -10.305 1.540 2.124 1.00 0.00 O ATOM 1074 CB ASP A 68 -11.730 4.412 2.576 1.00 0.00 C ATOM 1075 CG ASP A 68 -12.252 3.854 1.266 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -12.383 2.617 1.158 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -12.528 4.655 0.348 1.00 0.00 O ATOM 0 H ASP A 68 -10.609 4.927 4.718 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.952 2.622 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.537 4.929 3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.958 5.153 2.370 1.00 0.00 H new ATOM 1082 N ALA A 69 -8.838 3.075 2.862 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.689 2.456 2.220 1.00 0.00 C ATOM 1084 C ALA A 69 -7.264 1.192 2.953 1.00 0.00 C ATOM 1085 O ALA A 69 -7.241 0.102 2.381 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.533 3.441 2.144 1.00 0.00 C ATOM 0 H ALA A 69 -8.620 3.922 3.386 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.978 2.175 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.680 2.964 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.836 4.314 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.253 3.752 3.151 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.927 1.353 4.221 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.496 0.234 5.048 1.00 0.00 C ATOM 1094 C VAL A 70 -7.634 -0.759 5.259 1.00 0.00 C ATOM 1095 O VAL A 70 -7.406 -1.910 5.631 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.985 0.713 6.421 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.452 -0.224 7.523 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.469 0.826 6.415 1.00 0.00 C ATOM 0 H VAL A 70 -6.943 2.251 4.704 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.680 -0.257 4.518 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.400 1.701 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.081 0.131 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.542 -0.249 7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.069 -1.227 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.126 1.165 7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.032 -0.148 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.161 1.542 5.653 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.857 -0.304 5.019 1.00 0.00 N ATOM 1109 CA GLU A 71 -10.032 -1.147 5.180 1.00 0.00 C ATOM 1110 C GLU A 71 -10.086 -2.220 4.098 1.00 0.00 C ATOM 1111 O GLU A 71 -10.382 -3.382 4.377 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.305 -0.300 5.138 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.782 0.151 6.509 1.00 0.00 C ATOM 1114 CD GLU A 71 -12.680 -0.871 7.179 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -13.815 -1.070 6.697 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -12.248 -1.471 8.186 1.00 0.00 O ATOM 0 H GLU A 71 -9.060 0.647 4.711 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.963 -1.639 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.127 0.578 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.097 -0.874 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.918 0.343 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.321 1.093 6.410 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.797 -1.824 2.862 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.812 -2.751 1.743 1.00 0.00 C ATOM 1125 C TYR A 72 -8.666 -3.745 1.855 1.00 0.00 C ATOM 1126 O TYR A 72 -8.825 -4.930 1.561 1.00 0.00 O ATOM 1127 CB TYR A 72 -9.755 -1.984 0.419 1.00 0.00 C ATOM 1128 CG TYR A 72 -8.501 -2.225 -0.387 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.221 -3.478 -0.913 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -7.603 -1.195 -0.626 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.076 -3.698 -1.656 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -6.459 -1.405 -1.368 1.00 0.00 C ATOM 1133 CZ TYR A 72 -6.199 -2.659 -1.881 1.00 0.00 C ATOM 1134 OH TYR A 72 -5.059 -2.874 -2.622 1.00 0.00 O ATOM 0 H TYR A 72 -9.550 -0.866 2.613 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.744 -3.316 1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -10.619 -2.261 -0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.840 -0.917 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.908 -4.293 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.803 -0.212 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.870 -4.679 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.771 -0.592 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.225 -3.582 -3.279 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.515 -3.260 2.302 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.346 -4.111 2.477 1.00 0.00 C ATOM 1146 C ILE A 73 -6.572 -5.098 3.613 1.00 0.00 C ATOM 1147 O ILE A 73 -6.117 -6.241 3.566 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.074 -3.300 2.777 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.151 -1.907 2.153 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.845 -4.042 2.273 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.926 -1.905 0.658 1.00 0.00 C ATOM 0 H ILE A 73 -7.366 -2.282 2.550 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.204 -4.642 1.536 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.993 -3.180 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.129 -1.475 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.409 -1.264 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.952 -3.457 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.775 -5.010 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.926 -4.191 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.995 -0.885 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.937 -2.307 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.684 -2.522 0.175 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.282 -4.639 4.633 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.583 -5.463 5.795 1.00 0.00 C ATOM 1165 C ALA A 74 -8.309 -6.738 5.394 1.00 0.00 C ATOM 1166 O ALA A 74 -8.071 -7.807 5.958 1.00 0.00 O ATOM 1167 CB ALA A 74 -8.411 -4.676 6.800 1.00 0.00 C ATOM 0 H ALA A 74 -7.663 -3.694 4.679 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.639 -5.747 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.629 -5.304 7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.853 -3.797 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.346 -4.362 6.335 1.00 0.00 H new ATOM 1173 N GLN A 75 -9.199 -6.616 4.421 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.974 -7.753 3.951 1.00 0.00 C ATOM 1175 C GLN A 75 -9.148 -8.631 3.027 1.00 0.00 C ATOM 1176 O GLN A 75 -8.794 -9.759 3.376 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.235 -7.275 3.229 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.935 -6.121 3.928 1.00 0.00 C ATOM 1179 CD GLN A 75 -11.505 -5.967 5.373 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -11.208 -6.950 6.053 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -11.469 -4.729 5.852 1.00 0.00 N ATOM 0 H GLN A 75 -9.402 -5.739 3.941 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.263 -8.345 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.970 -6.969 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.930 -8.110 3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.727 -5.196 3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.013 -6.277 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.723 -3.943 5.254 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.187 -4.564 6.818 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.836 -8.112 1.853 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.041 -8.859 0.889 1.00 0.00 C ATOM 1192 C ASN A 76 -7.197 -9.899 1.613 1.00 0.00 C ATOM 1193 O ASN A 76 -7.547 -11.077 1.657 1.00 0.00 O ATOM 1194 CB ASN A 76 -7.141 -7.917 0.087 1.00 0.00 C ATOM 1195 CG ASN A 76 -7.823 -7.388 -1.158 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -8.127 -8.142 -2.082 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -8.069 -6.085 -1.188 1.00 0.00 N ATOM 0 H ASN A 76 -9.118 -7.182 1.543 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.715 -9.363 0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.842 -7.080 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.230 -8.444 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.528 -5.671 -2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.800 -5.497 -0.399 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.073 -9.468 2.203 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.173 -10.357 2.943 1.00 0.00 C ATOM 1206 C PRO A 77 -5.878 -11.060 4.102 1.00 0.00 C ATOM 1207 O PRO A 77 -5.563 -12.206 4.426 1.00 0.00 O ATOM 1208 CB PRO A 77 -4.081 -9.418 3.472 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.661 -8.048 3.374 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.595 -8.082 2.199 1.00 0.00 C ATOM 0 HA PRO A 77 -4.789 -11.158 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.818 -9.661 4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.169 -9.503 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.192 -7.782 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.879 -7.302 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.414 -7.372 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.084 -7.833 1.269 1.00 0.00 H new ATOM 1218 N MET A 78 -6.832 -10.371 4.726 1.00 0.00 N ATOM 1219 CA MET A 78 -7.572 -10.939 5.848 1.00 0.00 C ATOM 1220 C MET A 78 -8.084 -12.337 5.516 1.00 0.00 C ATOM 1221 O MET A 78 -8.418 -13.113 6.412 1.00 0.00 O ATOM 1222 CB MET A 78 -8.745 -10.035 6.227 1.00 0.00 C ATOM 1223 CG MET A 78 -9.987 -10.798 6.659 1.00 0.00 C ATOM 1224 SD MET A 78 -9.895 -11.360 8.370 1.00 0.00 S ATOM 1225 CE MET A 78 -10.088 -13.128 8.157 1.00 0.00 C ATOM 0 H MET A 78 -7.109 -9.422 4.474 1.00 0.00 H new ATOM 0 HA MET A 78 -6.889 -11.013 6.694 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.436 -9.373 7.036 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.995 -9.402 5.375 1.00 0.00 H new ATOM 0 HG2 MET A 78 -10.862 -10.160 6.537 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.126 -11.659 6.005 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.821 -13.503 8.871 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.429 -13.337 7.143 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.131 -13.622 8.327 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.144 -12.654 4.228 1.00 0.00 N ATOM 1236 CA ALA A 79 -8.614 -13.956 3.788 1.00 0.00 C ATOM 1237 C ALA A 79 -7.992 -14.357 2.455 1.00 0.00 C ATOM 1238 O ALA A 79 -8.503 -15.235 1.760 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.133 -13.965 3.691 1.00 0.00 C ATOM 0 H ALA A 79 -7.872 -12.025 3.472 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.302 -14.690 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.471 -14.947 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.561 -13.744 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.456 -13.210 2.975 1.00 0.00 H new ATOM 1245 N LYS A 80 -6.887 -13.709 2.102 1.00 0.00 N ATOM 1246 CA LYS A 80 -6.198 -13.999 0.852 1.00 0.00 C ATOM 1247 C LYS A 80 -5.660 -15.427 0.845 1.00 0.00 C ATOM 1248 O LYS A 80 -4.618 -15.668 1.489 1.00 0.00 O ATOM 1249 CB LYS A 80 -5.054 -13.009 0.632 1.00 0.00 C ATOM 1250 CG LYS A 80 -5.495 -11.703 -0.006 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.579 -11.305 -1.152 1.00 0.00 C ATOM 1252 CE LYS A 80 -4.871 -9.894 -1.636 1.00 0.00 C ATOM 1253 NZ LYS A 80 -4.235 -8.866 -0.767 1.00 0.00 N ATOM 1254 OXT LYS A 80 -6.285 -16.290 0.195 1.00 0.00 O ATOM 0 H LYS A 80 -6.450 -12.979 2.665 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.917 -13.897 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.581 -12.794 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.298 -13.475 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.516 -11.803 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.503 -10.914 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.540 -11.372 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.702 -12.006 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.510 -9.779 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.949 -9.734 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.617 -7.928 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.436 -9.082 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.207 -8.869 -0.921 1.00 0.00 H new