USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.108 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 162:sc= -0.0379 (180deg=-0.415) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 0.0374 (180deg=0) USER MOD Single : A 10 SER OG : rot -22:sc= 0.781 USER MOD Single : A 14 LYS NZ :NH3+ -106:sc= -2.55! (180deg=-2.73!) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0.252 (180deg=0.251) USER MOD Single : A 26 THR OG1 : rot 132:sc= -0.0921 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -130:sc= -0.574 USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0216 (180deg=-0.336) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 46 MET CE :methyl 175:sc= -0.0233 (180deg=-0.0532) USER MOD Single : A 47 ASN : amide:sc= -1.97 K(o=-2,f=-3!) USER MOD Single : A 55 ASN : amide:sc= -8.17! K(o=-8.2!,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -112:sc= -0.116 USER MOD Single : A 68 GLN : amide:sc= -5.86! K(o=-5.9!,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= -6.91! C(o=-6.9!,f=-8.6!) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -2.44! (180deg=-7.29!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot -174:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.307 -3.631 7.257 1.00 1.00 N ATOM 2 CA ALA A 1 -10.297 -3.775 5.773 1.00 1.00 C ATOM 3 C ALA A 1 -10.494 -5.247 5.408 1.00 1.00 C ATOM 4 O ALA A 1 -10.305 -6.135 6.239 1.00 1.00 O ATOM 5 CB ALA A 1 -8.959 -3.262 5.222 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.167 -3.125 7.551 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.292 -4.573 7.697 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.469 -3.094 7.559 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.106 -3.190 5.336 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.948 -3.366 4.137 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.835 -2.212 5.487 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.142 -3.843 5.650 1.00 1.00 H new ATOM 13 N LYS A 2 -10.875 -5.495 4.160 1.00 1.00 N ATOM 14 CA LYS A 2 -11.095 -6.858 3.689 1.00 1.00 C ATOM 15 C LYS A 2 -9.765 -7.556 3.444 1.00 1.00 C ATOM 16 O LYS A 2 -8.779 -6.921 3.087 1.00 1.00 O ATOM 17 CB LYS A 2 -11.911 -6.841 2.397 1.00 1.00 C ATOM 18 CG LYS A 2 -13.308 -6.288 2.686 1.00 1.00 C ATOM 19 CD LYS A 2 -14.135 -6.298 1.398 1.00 1.00 C ATOM 20 CE LYS A 2 -15.551 -5.806 1.697 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.501 -4.382 2.136 1.00 1.00 N ATOM 0 H LYS A 2 -11.038 -4.773 3.458 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.645 -7.404 4.455 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.413 -6.227 1.647 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.984 -7.848 1.987 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.798 -6.890 3.451 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.236 -5.273 3.077 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.668 -5.660 0.648 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.169 -7.305 0.983 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -16.176 -5.902 0.809 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -16.005 -6.421 2.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.446 -3.958 2.047 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.193 -4.335 3.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -14.829 -3.858 1.540 1.00 1.00 H new ATOM 35 N LYS A 3 -9.743 -8.866 3.641 1.00 1.00 N ATOM 36 CA LYS A 3 -8.520 -9.636 3.446 1.00 1.00 C ATOM 37 C LYS A 3 -8.035 -9.533 2.005 1.00 1.00 C ATOM 38 O LYS A 3 -6.834 -9.431 1.751 1.00 1.00 O ATOM 39 CB LYS A 3 -8.771 -11.102 3.785 1.00 1.00 C ATOM 40 CG LYS A 3 -9.108 -11.237 5.272 1.00 1.00 C ATOM 41 CD LYS A 3 -9.151 -12.718 5.661 1.00 1.00 C ATOM 42 CE LYS A 3 -10.307 -13.416 4.934 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.600 -14.714 5.601 1.00 1.00 N ATOM 0 H LYS A 3 -10.551 -9.416 3.934 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.754 -9.227 4.105 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.590 -11.490 3.180 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.889 -11.697 3.547 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.363 -10.715 5.872 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.070 -10.769 5.480 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.206 -13.198 5.405 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.276 -12.816 6.739 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.193 -12.781 4.944 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.046 -13.583 3.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.384 -15.188 5.109 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.755 -15.319 5.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.866 -14.543 6.592 1.00 1.00 H new ATOM 57 N GLU A 4 -8.970 -9.565 1.065 1.00 1.00 N ATOM 58 CA GLU A 4 -8.615 -9.480 -0.344 1.00 1.00 C ATOM 59 C GLU A 4 -7.814 -8.210 -0.623 1.00 1.00 C ATOM 60 O GLU A 4 -6.773 -8.254 -1.281 1.00 1.00 O ATOM 61 CB GLU A 4 -9.893 -9.481 -1.195 1.00 1.00 C ATOM 62 CG GLU A 4 -10.679 -8.184 -0.959 1.00 1.00 C ATOM 63 CD GLU A 4 -12.113 -8.340 -1.447 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.663 -9.415 -1.279 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.642 -7.377 -1.977 1.00 1.00 O ATOM 0 H GLU A 4 -9.970 -9.648 1.250 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.999 -10.342 -0.602 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.637 -9.575 -2.250 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.510 -10.342 -0.939 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.674 -7.935 0.102 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.197 -7.358 -1.482 1.00 1.00 H new ATOM 72 N THR A 5 -8.309 -7.080 -0.127 1.00 1.00 N ATOM 73 CA THR A 5 -7.641 -5.804 -0.331 1.00 1.00 C ATOM 74 C THR A 5 -6.307 -5.775 0.404 1.00 1.00 C ATOM 75 O THR A 5 -5.306 -5.307 -0.126 1.00 1.00 O ATOM 76 CB THR A 5 -8.526 -4.653 0.158 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.857 -4.869 -0.283 1.00 1.00 O ATOM 78 CG2 THR A 5 -8.021 -3.334 -0.438 1.00 1.00 C ATOM 0 H THR A 5 -9.169 -7.024 0.418 1.00 1.00 H new ATOM 0 HA THR A 5 -7.458 -5.683 -1.399 1.00 1.00 H new ATOM 0 HB THR A 5 -8.493 -4.607 1.247 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.428 -4.136 0.029 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.650 -2.514 -0.091 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.992 -3.162 -0.121 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.062 -3.387 -1.526 1.00 1.00 H new ATOM 86 N ILE A 6 -6.309 -6.276 1.631 1.00 1.00 N ATOM 87 CA ILE A 6 -5.100 -6.296 2.443 1.00 1.00 C ATOM 88 C ILE A 6 -4.008 -7.107 1.755 1.00 1.00 C ATOM 89 O ILE A 6 -2.850 -6.696 1.724 1.00 1.00 O ATOM 90 CB ILE A 6 -5.409 -6.910 3.818 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.317 -5.964 4.613 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.110 -7.127 4.595 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.883 -6.700 5.831 1.00 1.00 C ATOM 0 H ILE A 6 -7.131 -6.673 2.085 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.749 -5.272 2.571 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.911 -7.867 3.673 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.754 -5.087 4.934 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.130 -5.607 3.981 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.337 -7.562 5.568 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.461 -7.803 4.038 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.605 -6.171 4.734 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.528 -6.027 6.395 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.461 -7.563 5.499 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -6.064 -7.035 6.467 1.00 1.00 H new ATOM 105 N ASP A 7 -4.378 -8.252 1.207 1.00 1.00 N ATOM 106 CA ASP A 7 -3.412 -9.103 0.528 1.00 1.00 C ATOM 107 C ASP A 7 -2.852 -8.383 -0.694 1.00 1.00 C ATOM 108 O ASP A 7 -1.675 -8.520 -1.022 1.00 1.00 O ATOM 109 CB ASP A 7 -4.095 -10.416 0.106 1.00 1.00 C ATOM 110 CG ASP A 7 -4.140 -11.404 1.274 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.380 -11.230 2.215 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.939 -12.324 1.211 1.00 1.00 O ATOM 0 H ASP A 7 -5.332 -8.613 1.218 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.589 -9.330 1.205 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.107 -10.210 -0.241 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.555 -10.859 -0.731 1.00 1.00 H new ATOM 117 N LYS A 8 -3.696 -7.615 -1.363 1.00 1.00 N ATOM 118 CA LYS A 8 -3.264 -6.881 -2.543 1.00 1.00 C ATOM 119 C LYS A 8 -2.251 -5.812 -2.168 1.00 1.00 C ATOM 120 O LYS A 8 -1.234 -5.652 -2.834 1.00 1.00 O ATOM 121 CB LYS A 8 -4.481 -6.229 -3.202 1.00 1.00 C ATOM 122 CG LYS A 8 -5.300 -7.277 -3.968 1.00 1.00 C ATOM 123 CD LYS A 8 -4.743 -7.456 -5.397 1.00 1.00 C ATOM 124 CE LYS A 8 -5.337 -6.393 -6.331 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.860 -6.634 -7.714 1.00 1.00 N ATOM 0 H LYS A 8 -4.676 -7.483 -1.113 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.792 -7.575 -3.238 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.104 -5.755 -2.443 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.156 -5.443 -3.884 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.271 -8.229 -3.438 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.345 -6.969 -4.014 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.656 -7.374 -5.385 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.984 -8.452 -5.767 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.426 -6.431 -6.298 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.042 -5.397 -6.001 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.513 -6.188 -8.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.911 -6.226 -7.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.821 -7.657 -7.894 1.00 1.00 H new ATOM 139 N VAL A 9 -2.539 -5.079 -1.106 1.00 1.00 N ATOM 140 CA VAL A 9 -1.641 -4.022 -0.673 1.00 1.00 C ATOM 141 C VAL A 9 -0.275 -4.598 -0.326 1.00 1.00 C ATOM 142 O VAL A 9 0.758 -4.075 -0.737 1.00 1.00 O ATOM 143 CB VAL A 9 -2.225 -3.308 0.545 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.261 -2.220 1.013 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.567 -2.674 0.174 1.00 1.00 C ATOM 0 H VAL A 9 -3.376 -5.193 -0.534 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.526 -3.307 -1.487 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.374 -4.030 1.348 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.680 -1.712 1.882 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.306 -2.671 1.282 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.108 -1.499 0.210 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.982 -2.165 1.044 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.419 -1.954 -0.631 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.257 -3.450 -0.156 1.00 1.00 H new ATOM 155 N SER A 10 -0.280 -5.688 0.424 1.00 1.00 N ATOM 156 CA SER A 10 0.960 -6.336 0.813 1.00 1.00 C ATOM 157 C SER A 10 1.719 -6.803 -0.422 1.00 1.00 C ATOM 158 O SER A 10 2.940 -6.748 -0.455 1.00 1.00 O ATOM 159 CB SER A 10 0.667 -7.547 1.710 1.00 1.00 C ATOM 160 OG SER A 10 -0.156 -8.464 1.003 1.00 1.00 O ATOM 0 H SER A 10 -1.125 -6.140 0.774 1.00 1.00 H new ATOM 0 HA SER A 10 1.566 -5.615 1.362 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.599 -8.029 2.006 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.170 -7.225 2.625 1.00 1.00 H new ATOM 0 HG SER A 10 -0.623 -7.995 0.280 1.00 1.00 H new ATOM 166 N ASP A 11 0.985 -7.274 -1.431 1.00 1.00 N ATOM 167 CA ASP A 11 1.600 -7.772 -2.653 1.00 1.00 C ATOM 168 C ASP A 11 2.393 -6.672 -3.336 1.00 1.00 C ATOM 169 O ASP A 11 3.482 -6.909 -3.846 1.00 1.00 O ATOM 170 CB ASP A 11 0.500 -8.301 -3.598 1.00 1.00 C ATOM 171 CG ASP A 11 0.134 -9.747 -3.264 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.764 -10.319 -2.392 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.773 -10.260 -3.899 1.00 1.00 O ATOM 0 H ASP A 11 -0.034 -7.319 -1.422 1.00 1.00 H new ATOM 0 HA ASP A 11 2.286 -8.582 -2.404 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.386 -7.671 -3.518 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.843 -8.239 -4.631 1.00 1.00 H new ATOM 178 N ILE A 12 1.855 -5.471 -3.339 1.00 1.00 N ATOM 179 CA ILE A 12 2.544 -4.365 -3.976 1.00 1.00 C ATOM 180 C ILE A 12 3.943 -4.209 -3.410 1.00 1.00 C ATOM 181 O ILE A 12 4.893 -4.031 -4.162 1.00 1.00 O ATOM 182 CB ILE A 12 1.738 -3.056 -3.765 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.718 -2.847 -4.899 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.670 -1.835 -3.687 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.427 -3.837 -4.763 1.00 1.00 C ATOM 0 H ILE A 12 0.957 -5.236 -2.915 1.00 1.00 H new ATOM 0 HA ILE A 12 2.625 -4.572 -5.043 1.00 1.00 H new ATOM 0 HB ILE A 12 1.205 -3.155 -2.819 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.333 -1.828 -4.868 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.206 -2.975 -5.865 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.076 -0.933 -3.539 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.360 -1.957 -2.852 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.235 -1.749 -4.615 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -1.142 -3.680 -5.571 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.037 -4.854 -4.816 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.924 -3.689 -3.804 1.00 1.00 H new ATOM 197 N VAL A 13 4.056 -4.245 -2.094 1.00 1.00 N ATOM 198 CA VAL A 13 5.347 -4.070 -1.453 1.00 1.00 C ATOM 199 C VAL A 13 6.312 -5.157 -1.898 1.00 1.00 C ATOM 200 O VAL A 13 7.473 -4.885 -2.203 1.00 1.00 O ATOM 201 CB VAL A 13 5.179 -4.114 0.066 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.537 -3.905 0.738 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.214 -3.011 0.510 1.00 1.00 C ATOM 0 H VAL A 13 3.276 -4.393 -1.453 1.00 1.00 H new ATOM 0 HA VAL A 13 5.755 -3.102 -1.743 1.00 1.00 H new ATOM 0 HB VAL A 13 4.776 -5.085 0.356 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.416 -3.937 1.821 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.222 -4.693 0.426 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.942 -2.936 0.446 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.096 -3.045 1.593 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.613 -2.039 0.219 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.245 -3.162 0.035 1.00 1.00 H new ATOM 213 N LYS A 14 5.827 -6.387 -1.927 1.00 1.00 N ATOM 214 CA LYS A 14 6.657 -7.507 -2.336 1.00 1.00 C ATOM 215 C LYS A 14 7.064 -7.383 -3.799 1.00 1.00 C ATOM 216 O LYS A 14 8.186 -7.717 -4.176 1.00 1.00 O ATOM 217 CB LYS A 14 5.907 -8.806 -2.148 1.00 1.00 C ATOM 218 CG LYS A 14 5.343 -8.859 -0.711 1.00 1.00 C ATOM 219 CD LYS A 14 5.304 -10.308 -0.155 1.00 1.00 C ATOM 220 CE LYS A 14 6.075 -10.379 1.163 1.00 1.00 C ATOM 221 NZ LYS A 14 5.334 -9.627 2.206 1.00 1.00 N ATOM 0 H LYS A 14 4.870 -6.634 -1.674 1.00 1.00 H new ATOM 0 HA LYS A 14 7.553 -7.499 -1.715 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.097 -8.881 -2.873 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.571 -9.653 -2.323 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.955 -8.236 -0.058 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.337 -8.439 -0.701 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.271 -10.620 0.000 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.739 -10.997 -0.879 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.201 -11.418 1.468 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.073 -9.960 1.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.821 -8.728 2.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.368 -9.433 1.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.293 -10.192 3.078 1.00 1.00 H new ATOM 235 N GLU A 15 6.136 -6.923 -4.623 1.00 1.00 N ATOM 236 CA GLU A 15 6.402 -6.770 -6.048 1.00 1.00 C ATOM 237 C GLU A 15 7.593 -5.847 -6.272 1.00 1.00 C ATOM 238 O GLU A 15 8.220 -5.875 -7.330 1.00 1.00 O ATOM 239 CB GLU A 15 5.166 -6.199 -6.749 1.00 1.00 C ATOM 240 CG GLU A 15 4.101 -7.290 -6.887 1.00 1.00 C ATOM 241 CD GLU A 15 2.802 -6.687 -7.413 1.00 1.00 C ATOM 242 OE1 GLU A 15 2.797 -5.501 -7.700 1.00 1.00 O ATOM 243 OE2 GLU A 15 1.833 -7.419 -7.521 1.00 1.00 O ATOM 0 H GLU A 15 5.197 -6.650 -4.334 1.00 1.00 H new ATOM 0 HA GLU A 15 6.635 -7.749 -6.466 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.768 -5.359 -6.179 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.438 -5.816 -7.733 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.451 -8.068 -7.565 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.927 -7.764 -5.921 1.00 1.00 H new ATOM 250 N LYS A 16 7.898 -5.031 -5.275 1.00 1.00 N ATOM 251 CA LYS A 16 9.011 -4.105 -5.387 1.00 1.00 C ATOM 252 C LYS A 16 10.320 -4.862 -5.547 1.00 1.00 C ATOM 253 O LYS A 16 11.168 -4.483 -6.351 1.00 1.00 O ATOM 254 CB LYS A 16 9.079 -3.220 -4.137 1.00 1.00 C ATOM 255 CG LYS A 16 7.750 -2.489 -3.941 1.00 1.00 C ATOM 256 CD LYS A 16 7.413 -1.637 -5.178 1.00 1.00 C ATOM 257 CE LYS A 16 6.431 -0.541 -4.816 1.00 1.00 C ATOM 258 NZ LYS A 16 6.178 0.298 -6.019 1.00 1.00 N ATOM 0 H LYS A 16 7.396 -4.992 -4.388 1.00 1.00 H new ATOM 0 HA LYS A 16 8.856 -3.481 -6.267 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.301 -3.830 -3.261 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.890 -2.498 -4.236 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.954 -3.212 -3.763 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.806 -1.852 -3.058 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.324 -1.197 -5.583 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.990 -2.270 -5.958 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.498 -0.975 -4.456 1.00 1.00 H new ATOM 0 HE3 LYS A 16 6.831 0.071 -4.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.492 1.043 -5.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.069 0.734 -6.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.796 -0.296 -6.783 1.00 1.00 H new ATOM 272 N LEU A 17 10.484 -5.927 -4.766 1.00 1.00 N ATOM 273 CA LEU A 17 11.712 -6.740 -4.805 1.00 1.00 C ATOM 274 C LEU A 17 11.358 -8.198 -5.085 1.00 1.00 C ATOM 275 O LEU A 17 12.130 -9.107 -4.780 1.00 1.00 O ATOM 276 CB LEU A 17 12.482 -6.611 -3.453 1.00 1.00 C ATOM 277 CG LEU A 17 11.576 -5.992 -2.382 1.00 1.00 C ATOM 278 CD1 LEU A 17 10.473 -6.966 -2.001 1.00 1.00 C ATOM 279 CD2 LEU A 17 12.409 -5.638 -1.157 1.00 1.00 C ATOM 0 H LEU A 17 9.787 -6.253 -4.097 1.00 1.00 H new ATOM 0 HA LEU A 17 12.358 -6.378 -5.605 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.824 -7.593 -3.126 1.00 1.00 H new ATOM 0 HB3 LEU A 17 13.370 -5.993 -3.590 1.00 1.00 H new ATOM 0 HG LEU A 17 11.117 -5.087 -2.779 1.00 1.00 H new ATOM 0 HD11 LEU A 17 9.836 -6.515 -1.240 1.00 1.00 H new ATOM 0 HD12 LEU A 17 9.875 -7.201 -2.882 1.00 1.00 H new ATOM 0 HD13 LEU A 17 10.916 -7.881 -1.608 1.00 1.00 H new ATOM 0 HD21 LEU A 17 11.766 -5.198 -0.395 1.00 1.00 H new ATOM 0 HD22 LEU A 17 12.876 -6.540 -0.761 1.00 1.00 H new ATOM 0 HD23 LEU A 17 13.182 -4.922 -1.437 1.00 1.00 H new ATOM 291 N ALA A 18 10.190 -8.416 -5.671 1.00 1.00 N ATOM 292 CA ALA A 18 9.758 -9.769 -5.983 1.00 1.00 C ATOM 293 C ALA A 18 9.832 -10.654 -4.745 1.00 1.00 C ATOM 294 O ALA A 18 10.804 -11.383 -4.552 1.00 1.00 O ATOM 295 CB ALA A 18 10.646 -10.360 -7.075 1.00 1.00 C ATOM 0 H ALA A 18 9.532 -7.683 -5.937 1.00 1.00 H new ATOM 0 HA ALA A 18 8.726 -9.727 -6.330 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.316 -11.374 -7.303 1.00 1.00 H new ATOM 0 HB2 ALA A 18 10.577 -9.745 -7.972 1.00 1.00 H new ATOM 0 HB3 ALA A 18 11.680 -10.384 -6.730 1.00 1.00 H new ATOM 301 N LEU A 19 8.800 -10.582 -3.905 1.00 1.00 N ATOM 302 CA LEU A 19 8.747 -11.380 -2.675 1.00 1.00 C ATOM 303 C LEU A 19 7.413 -12.112 -2.573 1.00 1.00 C ATOM 304 O LEU A 19 6.609 -12.099 -3.505 1.00 1.00 O ATOM 305 CB LEU A 19 8.957 -10.461 -1.449 1.00 1.00 C ATOM 306 CG LEU A 19 10.370 -10.629 -0.881 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.421 -10.194 -1.940 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.501 -9.794 0.410 1.00 1.00 C ATOM 0 H LEU A 19 7.989 -9.981 -4.051 1.00 1.00 H new ATOM 0 HA LEU A 19 9.542 -12.125 -2.699 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.796 -9.422 -1.736 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.221 -10.697 -0.681 1.00 1.00 H new ATOM 0 HG LEU A 19 10.551 -11.676 -0.639 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.423 -10.316 -1.529 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.316 -10.812 -2.832 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.261 -9.148 -2.203 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.505 -9.910 0.818 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.321 -8.743 0.183 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.770 -10.138 1.142 1.00 1.00 H new ATOM 320 N GLY A 20 7.200 -12.759 -1.426 1.00 1.00 N ATOM 321 CA GLY A 20 5.969 -13.513 -1.188 1.00 1.00 C ATOM 322 C GLY A 20 6.189 -15.000 -1.432 1.00 1.00 C ATOM 323 O GLY A 20 5.366 -15.827 -1.046 1.00 1.00 O ATOM 0 H GLY A 20 7.862 -12.776 -0.650 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.632 -13.354 -0.164 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.180 -13.145 -1.844 1.00 1.00 H new ATOM 327 N ALA A 21 7.307 -15.333 -2.076 1.00 1.00 N ATOM 328 CA ALA A 21 7.618 -16.726 -2.367 1.00 1.00 C ATOM 329 C ALA A 21 8.214 -17.403 -1.141 1.00 1.00 C ATOM 330 O ALA A 21 7.586 -18.270 -0.535 1.00 1.00 O ATOM 331 CB ALA A 21 8.609 -16.810 -3.529 1.00 1.00 C ATOM 0 H ALA A 21 8.004 -14.663 -2.402 1.00 1.00 H new ATOM 0 HA ALA A 21 6.695 -17.236 -2.641 1.00 1.00 H new ATOM 0 HB1 ALA A 21 8.835 -17.855 -3.739 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.172 -16.348 -4.414 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.527 -16.286 -3.263 1.00 1.00 H new ATOM 337 N ASP A 22 9.430 -17.001 -0.780 1.00 1.00 N ATOM 338 CA ASP A 22 10.109 -17.575 0.380 1.00 1.00 C ATOM 339 C ASP A 22 9.907 -16.701 1.609 1.00 1.00 C ATOM 340 O ASP A 22 10.498 -16.950 2.658 1.00 1.00 O ATOM 341 CB ASP A 22 11.605 -17.711 0.099 1.00 1.00 C ATOM 342 CG ASP A 22 12.290 -18.415 1.265 1.00 1.00 C ATOM 343 OD1 ASP A 22 11.589 -18.998 2.075 1.00 1.00 O ATOM 344 OD2 ASP A 22 13.507 -18.363 1.328 1.00 1.00 O ATOM 0 H ASP A 22 9.964 -16.284 -1.271 1.00 1.00 H new ATOM 0 HA ASP A 22 9.681 -18.559 0.570 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.761 -18.275 -0.820 1.00 1.00 H new ATOM 0 HB3 ASP A 22 12.046 -16.726 -0.053 1.00 1.00 H new ATOM 349 N VAL A 23 9.072 -15.670 1.473 1.00 1.00 N ATOM 350 CA VAL A 23 8.794 -14.751 2.582 1.00 1.00 C ATOM 351 C VAL A 23 7.303 -14.726 2.893 1.00 1.00 C ATOM 352 O VAL A 23 6.471 -14.595 1.995 1.00 1.00 O ATOM 353 CB VAL A 23 9.266 -13.345 2.215 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.997 -12.399 3.384 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.769 -13.377 1.914 1.00 1.00 C ATOM 0 H VAL A 23 8.577 -15.449 0.609 1.00 1.00 H new ATOM 0 HA VAL A 23 9.330 -15.097 3.466 1.00 1.00 H new ATOM 0 HB VAL A 23 8.727 -12.995 1.335 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.333 -11.395 3.124 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.928 -12.380 3.598 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.537 -12.746 4.265 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.109 -12.375 1.652 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.309 -13.725 2.795 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.959 -14.054 1.081 1.00 1.00 H new ATOM 365 N VAL A 24 6.973 -14.858 4.173 1.00 1.00 N ATOM 366 CA VAL A 24 5.580 -14.854 4.599 1.00 1.00 C ATOM 367 C VAL A 24 4.991 -13.453 4.472 1.00 1.00 C ATOM 368 O VAL A 24 5.577 -12.479 4.941 1.00 1.00 O ATOM 369 CB VAL A 24 5.477 -15.322 6.052 1.00 1.00 C ATOM 370 CG1 VAL A 24 6.148 -14.295 6.971 1.00 1.00 C ATOM 371 CG2 VAL A 24 4.001 -15.465 6.436 1.00 1.00 C ATOM 0 H VAL A 24 7.648 -14.969 4.930 1.00 1.00 H new ATOM 0 HA VAL A 24 5.019 -15.535 3.959 1.00 1.00 H new ATOM 0 HB VAL A 24 5.977 -16.284 6.160 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.074 -14.630 8.006 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.198 -14.193 6.697 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.650 -13.331 6.865 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.925 -15.798 7.471 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.502 -14.502 6.327 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.524 -16.196 5.783 1.00 1.00 H new ATOM 381 N VAL A 25 3.827 -13.361 3.838 1.00 1.00 N ATOM 382 CA VAL A 25 3.166 -12.071 3.653 1.00 1.00 C ATOM 383 C VAL A 25 2.261 -11.765 4.838 1.00 1.00 C ATOM 384 O VAL A 25 1.460 -12.603 5.252 1.00 1.00 O ATOM 385 CB VAL A 25 2.338 -12.090 2.366 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.901 -10.667 2.016 1.00 1.00 C ATOM 387 CG2 VAL A 25 3.157 -12.706 1.224 1.00 1.00 C ATOM 0 H VAL A 25 3.324 -14.157 3.446 1.00 1.00 H new ATOM 0 HA VAL A 25 3.929 -11.296 3.581 1.00 1.00 H new ATOM 0 HB VAL A 25 1.448 -12.701 2.515 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.312 -10.683 1.099 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.298 -10.261 2.828 1.00 1.00 H new ATOM 0 HG13 VAL A 25 2.782 -10.041 1.871 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.560 -12.716 0.312 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.058 -12.114 1.062 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.436 -13.727 1.486 1.00 1.00 H new ATOM 397 N THR A 26 2.400 -10.559 5.390 1.00 1.00 N ATOM 398 CA THR A 26 1.595 -10.144 6.535 1.00 1.00 C ATOM 399 C THR A 26 1.126 -8.708 6.363 1.00 1.00 C ATOM 400 O THR A 26 1.749 -7.923 5.649 1.00 1.00 O ATOM 401 CB THR A 26 2.422 -10.258 7.815 1.00 1.00 C ATOM 402 OG1 THR A 26 3.594 -9.464 7.695 1.00 1.00 O ATOM 403 CG2 THR A 26 2.810 -11.712 8.040 1.00 1.00 C ATOM 0 H THR A 26 3.061 -9.855 5.062 1.00 1.00 H new ATOM 0 HA THR A 26 0.723 -10.795 6.602 1.00 1.00 H new ATOM 0 HB THR A 26 1.833 -9.906 8.662 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.702 -8.916 8.500 1.00 1.00 H new ATOM 0 HG21 THR A 26 3.400 -11.794 8.953 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.909 -12.319 8.134 1.00 1.00 H new ATOM 0 HG23 THR A 26 3.399 -12.066 7.194 1.00 1.00 H new ATOM 411 N ALA A 27 0.024 -8.370 7.023 1.00 1.00 N ATOM 412 CA ALA A 27 -0.529 -7.023 6.945 1.00 1.00 C ATOM 413 C ALA A 27 0.055 -6.149 8.049 1.00 1.00 C ATOM 414 O ALA A 27 0.038 -4.924 7.967 1.00 1.00 O ATOM 415 CB ALA A 27 -2.052 -7.089 7.087 1.00 1.00 C ATOM 0 H ALA A 27 -0.504 -9.009 7.617 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.271 -6.587 5.980 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.467 -6.083 7.029 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.466 -7.699 6.284 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.309 -7.532 8.049 1.00 1.00 H new ATOM 421 N ASP A 28 0.565 -6.784 9.091 1.00 1.00 N ATOM 422 CA ASP A 28 1.140 -6.042 10.204 1.00 1.00 C ATOM 423 C ASP A 28 2.569 -5.636 9.879 1.00 1.00 C ATOM 424 O ASP A 28 3.238 -4.985 10.685 1.00 1.00 O ATOM 425 CB ASP A 28 1.129 -6.903 11.470 1.00 1.00 C ATOM 426 CG ASP A 28 1.872 -8.210 11.218 1.00 1.00 C ATOM 427 OD1 ASP A 28 2.543 -8.299 10.202 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.765 -9.101 12.045 1.00 1.00 O ATOM 0 H ASP A 28 0.594 -7.799 9.191 1.00 1.00 H new ATOM 0 HA ASP A 28 0.542 -5.146 10.372 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.597 -6.362 12.292 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.102 -7.111 11.769 1.00 1.00 H new ATOM 433 N SER A 29 3.038 -6.026 8.695 1.00 1.00 N ATOM 434 CA SER A 29 4.395 -5.696 8.283 1.00 1.00 C ATOM 435 C SER A 29 4.454 -4.270 7.753 1.00 1.00 C ATOM 436 O SER A 29 4.196 -4.028 6.573 1.00 1.00 O ATOM 437 CB SER A 29 4.860 -6.666 7.197 1.00 1.00 C ATOM 438 OG SER A 29 5.983 -6.114 6.522 1.00 1.00 O ATOM 0 H SER A 29 2.503 -6.564 8.013 1.00 1.00 H new ATOM 0 HA SER A 29 5.052 -5.780 9.148 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.124 -7.626 7.640 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.052 -6.852 6.490 1.00 1.00 H new ATOM 0 HG SER A 29 6.284 -6.735 5.826 1.00 1.00 H new ATOM 444 N GLU A 30 4.796 -3.330 8.630 1.00 1.00 N ATOM 445 CA GLU A 30 4.882 -1.926 8.241 1.00 1.00 C ATOM 446 C GLU A 30 5.543 -1.797 6.872 1.00 1.00 C ATOM 447 O GLU A 30 6.474 -2.537 6.555 1.00 1.00 O ATOM 448 CB GLU A 30 5.699 -1.153 9.276 1.00 1.00 C ATOM 449 CG GLU A 30 5.048 -1.291 10.652 1.00 1.00 C ATOM 450 CD GLU A 30 5.917 -0.624 11.711 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.943 -0.072 11.349 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.544 -0.676 12.872 1.00 1.00 O ATOM 0 H GLU A 30 5.017 -3.513 9.609 1.00 1.00 H new ATOM 0 HA GLU A 30 3.874 -1.514 8.190 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.720 -1.534 9.306 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.759 -0.102 8.995 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.058 -0.835 10.642 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.911 -2.345 10.894 1.00 1.00 H new ATOM 459 N PHE A 31 5.050 -0.860 6.068 1.00 1.00 N ATOM 460 CA PHE A 31 5.597 -0.646 4.736 1.00 1.00 C ATOM 461 C PHE A 31 7.112 -0.480 4.801 1.00 1.00 C ATOM 462 O PHE A 31 7.726 -0.711 5.842 1.00 1.00 O ATOM 463 CB PHE A 31 4.972 0.600 4.113 1.00 1.00 C ATOM 464 CG PHE A 31 3.550 0.327 3.727 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.272 -0.276 2.497 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.511 0.686 4.587 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.950 -0.528 2.132 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.194 0.436 4.225 1.00 1.00 C ATOM 469 CZ PHE A 31 0.911 -0.169 2.996 1.00 1.00 C ATOM 0 H PHE A 31 4.278 -0.241 6.315 1.00 1.00 H new ATOM 0 HA PHE A 31 5.364 -1.516 4.122 1.00 1.00 H new ATOM 0 HB2 PHE A 31 5.012 1.428 4.820 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.543 0.902 3.235 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.079 -0.546 1.831 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.731 1.158 5.533 1.00 1.00 H new ATOM 0 HE1 PHE A 31 1.729 -0.999 1.185 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.389 0.708 4.892 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.114 -0.360 2.713 1.00 1.00 H new ATOM 479 N SER A 32 7.716 -0.080 3.685 1.00 1.00 N ATOM 480 CA SER A 32 9.169 0.109 3.624 1.00 1.00 C ATOM 481 C SER A 32 9.504 1.488 3.080 1.00 1.00 C ATOM 482 O SER A 32 8.970 1.909 2.055 1.00 1.00 O ATOM 483 CB SER A 32 9.791 -0.963 2.729 1.00 1.00 C ATOM 484 OG SER A 32 11.190 -0.742 2.640 1.00 1.00 O ATOM 0 H SER A 32 7.227 0.120 2.812 1.00 1.00 H new ATOM 0 HA SER A 32 9.575 0.023 4.632 1.00 1.00 H new ATOM 0 HB2 SER A 32 9.592 -1.954 3.137 1.00 1.00 H new ATOM 0 HB3 SER A 32 9.342 -0.931 1.736 1.00 1.00 H new ATOM 0 HG SER A 32 11.464 -0.753 1.699 1.00 1.00 H new ATOM 490 N LYS A 33 10.393 2.188 3.776 1.00 1.00 N ATOM 491 CA LYS A 33 10.793 3.524 3.354 1.00 1.00 C ATOM 492 C LYS A 33 12.091 3.934 4.043 1.00 1.00 C ATOM 493 O LYS A 33 12.089 4.770 4.945 1.00 1.00 O ATOM 494 CB LYS A 33 9.696 4.532 3.695 1.00 1.00 C ATOM 495 CG LYS A 33 10.051 5.895 3.094 1.00 1.00 C ATOM 496 CD LYS A 33 8.909 6.879 3.354 1.00 1.00 C ATOM 497 CE LYS A 33 9.247 8.231 2.723 1.00 1.00 C ATOM 498 NZ LYS A 33 10.405 8.839 3.441 1.00 1.00 N ATOM 0 H LYS A 33 10.846 1.856 4.627 1.00 1.00 H new ATOM 0 HA LYS A 33 10.951 3.511 2.276 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.738 4.189 3.305 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.588 4.616 4.776 1.00 1.00 H new ATOM 0 HG2 LYS A 33 10.975 6.269 3.534 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.225 5.798 2.022 1.00 1.00 H new ATOM 0 HD2 LYS A 33 7.980 6.493 2.936 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.752 6.995 4.426 1.00 1.00 H new ATOM 0 HE2 LYS A 33 9.487 8.102 1.668 1.00 1.00 H new ATOM 0 HE3 LYS A 33 8.384 8.895 2.775 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.457 9.854 3.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 10.282 8.714 4.466 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 11.284 8.374 3.138 1.00 1.00 H new ATOM 512 N LEU A 34 13.201 3.343 3.610 1.00 1.00 N ATOM 513 CA LEU A 34 14.509 3.657 4.189 1.00 1.00 C ATOM 514 C LEU A 34 15.208 4.726 3.361 1.00 1.00 C ATOM 515 O LEU A 34 15.185 4.686 2.131 1.00 1.00 O ATOM 516 CB LEU A 34 15.374 2.388 4.241 1.00 1.00 C ATOM 517 CG LEU A 34 14.997 1.558 5.469 1.00 1.00 C ATOM 518 CD1 LEU A 34 13.505 1.212 5.417 1.00 1.00 C ATOM 519 CD2 LEU A 34 15.824 0.270 5.486 1.00 1.00 C ATOM 0 H LEU A 34 13.224 2.647 2.864 1.00 1.00 H new ATOM 0 HA LEU A 34 14.365 4.035 5.201 1.00 1.00 H new ATOM 0 HB2 LEU A 34 15.230 1.800 3.334 1.00 1.00 H new ATOM 0 HB3 LEU A 34 16.430 2.657 4.282 1.00 1.00 H new ATOM 0 HG LEU A 34 15.201 2.132 6.373 1.00 1.00 H new ATOM 0 HD11 LEU A 34 13.238 0.621 6.293 1.00 1.00 H new ATOM 0 HD12 LEU A 34 12.919 2.131 5.407 1.00 1.00 H new ATOM 0 HD13 LEU A 34 13.296 0.638 4.514 1.00 1.00 H new ATOM 0 HD21 LEU A 34 15.556 -0.323 6.361 1.00 1.00 H new ATOM 0 HD22 LEU A 34 15.621 -0.305 4.582 1.00 1.00 H new ATOM 0 HD23 LEU A 34 16.884 0.519 5.527 1.00 1.00 H new ATOM 531 N GLY A 35 15.827 5.681 4.044 1.00 1.00 N ATOM 532 CA GLY A 35 16.536 6.761 3.367 1.00 1.00 C ATOM 533 C GLY A 35 15.595 7.923 3.073 1.00 1.00 C ATOM 534 O GLY A 35 14.619 7.772 2.339 1.00 1.00 O ATOM 0 H GLY A 35 15.853 5.730 5.062 1.00 1.00 H new ATOM 0 HA2 GLY A 35 17.363 7.105 3.988 1.00 1.00 H new ATOM 0 HA3 GLY A 35 16.968 6.392 2.437 1.00 1.00 H new ATOM 538 N ALA A 36 15.896 9.080 3.650 1.00 1.00 N ATOM 539 CA ALA A 36 15.070 10.263 3.442 1.00 1.00 C ATOM 540 C ALA A 36 15.098 10.683 1.976 1.00 1.00 C ATOM 541 O ALA A 36 14.089 11.125 1.428 1.00 1.00 O ATOM 542 CB ALA A 36 15.575 11.414 4.314 1.00 1.00 C ATOM 0 H ALA A 36 16.700 9.224 4.261 1.00 1.00 H new ATOM 0 HA ALA A 36 14.044 10.021 3.720 1.00 1.00 H new ATOM 0 HB1 ALA A 36 14.952 12.294 4.152 1.00 1.00 H new ATOM 0 HB2 ALA A 36 15.527 11.124 5.363 1.00 1.00 H new ATOM 0 HB3 ALA A 36 16.606 11.646 4.049 1.00 1.00 H new ATOM 548 N ASP A 37 16.261 10.544 1.348 1.00 1.00 N ATOM 549 CA ASP A 37 16.408 10.915 -0.054 1.00 1.00 C ATOM 550 C ASP A 37 15.500 10.065 -0.935 1.00 1.00 C ATOM 551 O ASP A 37 14.841 10.578 -1.840 1.00 1.00 O ATOM 552 CB ASP A 37 17.862 10.726 -0.494 1.00 1.00 C ATOM 553 CG ASP A 37 18.740 11.804 0.130 1.00 1.00 C ATOM 554 OD1 ASP A 37 18.190 12.748 0.673 1.00 1.00 O ATOM 555 OD2 ASP A 37 19.951 11.672 0.052 1.00 1.00 O ATOM 0 H ASP A 37 17.109 10.180 1.784 1.00 1.00 H new ATOM 0 HA ASP A 37 16.125 11.962 -0.162 1.00 1.00 H new ATOM 0 HB2 ASP A 37 18.216 9.739 -0.195 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.931 10.773 -1.581 1.00 1.00 H new ATOM 560 N SER A 38 15.469 8.763 -0.666 1.00 1.00 N ATOM 561 CA SER A 38 14.635 7.851 -1.444 1.00 1.00 C ATOM 562 C SER A 38 13.211 7.844 -0.904 1.00 1.00 C ATOM 563 O SER A 38 12.983 7.517 0.260 1.00 1.00 O ATOM 564 CB SER A 38 15.210 6.437 -1.379 1.00 1.00 C ATOM 0 H SER A 38 16.007 8.318 0.078 1.00 1.00 H new ATOM 0 HA SER A 38 14.621 8.191 -2.479 1.00 1.00 H new ATOM 569 N LEU A 39 12.253 8.202 -1.757 1.00 1.00 N ATOM 570 CA LEU A 39 10.846 8.232 -1.356 1.00 1.00 C ATOM 571 C LEU A 39 10.119 7.009 -1.897 1.00 1.00 C ATOM 572 O LEU A 39 9.782 6.944 -3.079 1.00 1.00 O ATOM 573 CB LEU A 39 10.184 9.502 -1.898 1.00 1.00 C ATOM 574 CG LEU A 39 11.011 10.726 -1.488 1.00 1.00 C ATOM 575 CD1 LEU A 39 10.381 11.988 -2.085 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.052 10.843 0.046 1.00 1.00 C ATOM 0 H LEU A 39 12.423 8.474 -2.725 1.00 1.00 H new ATOM 0 HA LEU A 39 10.789 8.226 -0.268 1.00 1.00 H new ATOM 0 HB2 LEU A 39 10.107 9.449 -2.984 1.00 1.00 H new ATOM 0 HB3 LEU A 39 9.169 9.589 -1.510 1.00 1.00 H new ATOM 0 HG LEU A 39 12.029 10.614 -1.862 1.00 1.00 H new ATOM 0 HD11 LEU A 39 10.967 12.860 -1.795 1.00 1.00 H new ATOM 0 HD12 LEU A 39 10.365 11.907 -3.172 1.00 1.00 H new ATOM 0 HD13 LEU A 39 9.362 12.096 -1.714 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.642 11.715 0.329 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.038 10.951 0.430 1.00 1.00 H new ATOM 0 HD23 LEU A 39 11.506 9.946 0.467 1.00 1.00 H new ATOM 588 N ASP A 40 9.878 6.039 -1.019 1.00 1.00 N ATOM 589 CA ASP A 40 9.186 4.818 -1.414 1.00 1.00 C ATOM 590 C ASP A 40 7.680 5.046 -1.447 1.00 1.00 C ATOM 591 O ASP A 40 6.946 4.324 -2.118 1.00 1.00 O ATOM 592 CB ASP A 40 9.512 3.694 -0.429 1.00 1.00 C ATOM 593 CG ASP A 40 10.964 3.262 -0.591 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.596 3.720 -1.529 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.424 2.479 0.224 1.00 1.00 O ATOM 0 H ASP A 40 10.150 6.075 -0.037 1.00 1.00 H new ATOM 0 HA ASP A 40 9.522 4.536 -2.412 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.337 4.032 0.592 1.00 1.00 H new ATOM 0 HB3 ASP A 40 8.850 2.845 -0.602 1.00 1.00 H new ATOM 600 N THR A 41 7.222 6.058 -0.721 1.00 1.00 N ATOM 601 CA THR A 41 5.798 6.370 -0.673 1.00 1.00 C ATOM 602 C THR A 41 5.281 6.713 -2.063 1.00 1.00 C ATOM 603 O THR A 41 4.206 6.268 -2.459 1.00 1.00 O ATOM 604 CB THR A 41 5.546 7.544 0.274 1.00 1.00 C ATOM 605 OG1 THR A 41 5.984 7.195 1.580 1.00 1.00 O ATOM 606 CG2 THR A 41 4.051 7.869 0.310 1.00 1.00 C ATOM 0 H THR A 41 7.811 6.674 -0.160 1.00 1.00 H new ATOM 0 HA THR A 41 5.267 5.492 -0.305 1.00 1.00 H new ATOM 0 HB THR A 41 6.095 8.417 -0.078 1.00 1.00 H new ATOM 0 HG1 THR A 41 5.826 7.946 2.190 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.877 8.706 0.986 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.712 8.135 -0.691 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.498 6.998 0.661 1.00 1.00 H new ATOM 614 N VAL A 42 6.055 7.506 -2.800 1.00 1.00 N ATOM 615 CA VAL A 42 5.669 7.905 -4.151 1.00 1.00 C ATOM 616 C VAL A 42 5.574 6.680 -5.062 1.00 1.00 C ATOM 617 O VAL A 42 4.657 6.552 -5.868 1.00 1.00 O ATOM 618 CB VAL A 42 6.692 8.888 -4.719 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.343 9.205 -6.174 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.670 10.178 -3.896 1.00 1.00 C ATOM 0 H VAL A 42 6.949 7.884 -2.486 1.00 1.00 H new ATOM 0 HA VAL A 42 4.693 8.388 -4.104 1.00 1.00 H new ATOM 0 HB VAL A 42 7.687 8.444 -4.673 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.073 9.906 -6.579 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.358 8.286 -6.760 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.349 9.649 -6.221 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.399 10.880 -4.300 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.675 10.622 -3.942 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.920 9.952 -2.859 1.00 1.00 H new ATOM 630 N GLU A 43 6.542 5.789 -4.943 1.00 1.00 N ATOM 631 CA GLU A 43 6.546 4.581 -5.755 1.00 1.00 C ATOM 632 C GLU A 43 5.479 3.600 -5.274 1.00 1.00 C ATOM 633 O GLU A 43 4.765 2.998 -6.076 1.00 1.00 O ATOM 634 CB GLU A 43 7.918 3.916 -5.698 1.00 1.00 C ATOM 635 CG GLU A 43 8.943 4.803 -6.402 1.00 1.00 C ATOM 636 CD GLU A 43 10.332 4.187 -6.289 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.446 3.136 -5.680 1.00 1.00 O ATOM 638 OE2 GLU A 43 11.263 4.775 -6.815 1.00 1.00 O ATOM 0 H GLU A 43 7.329 5.875 -4.300 1.00 1.00 H new ATOM 0 HA GLU A 43 6.322 4.862 -6.784 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.213 3.754 -4.661 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.880 2.937 -6.175 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.673 4.922 -7.451 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.941 5.798 -5.958 1.00 1.00 H new ATOM 645 N ILE A 44 5.400 3.423 -3.959 1.00 1.00 N ATOM 646 CA ILE A 44 4.435 2.492 -3.383 1.00 1.00 C ATOM 647 C ILE A 44 3.002 2.947 -3.630 1.00 1.00 C ATOM 648 O ILE A 44 2.149 2.155 -4.031 1.00 1.00 O ATOM 649 CB ILE A 44 4.670 2.375 -1.871 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.051 1.729 -1.599 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.560 1.515 -1.252 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.945 0.199 -1.570 1.00 1.00 C ATOM 0 H ILE A 44 5.986 3.906 -3.278 1.00 1.00 H new ATOM 0 HA ILE A 44 4.577 1.525 -3.865 1.00 1.00 H new ATOM 0 HB ILE A 44 4.653 3.369 -1.423 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.758 2.034 -2.371 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.444 2.088 -0.648 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.723 1.429 -0.178 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.592 1.982 -1.436 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.575 0.522 -1.702 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.928 -0.230 -1.377 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.256 -0.103 -0.781 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.575 -0.158 -2.531 1.00 1.00 H new ATOM 664 N VAL A 45 2.739 4.219 -3.371 1.00 1.00 N ATOM 665 CA VAL A 45 1.399 4.758 -3.552 1.00 1.00 C ATOM 666 C VAL A 45 0.967 4.646 -5.009 1.00 1.00 C ATOM 667 O VAL A 45 -0.175 4.297 -5.306 1.00 1.00 O ATOM 668 CB VAL A 45 1.364 6.230 -3.125 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.097 7.087 -4.161 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.084 6.698 -3.011 1.00 1.00 C ATOM 0 H VAL A 45 3.429 4.892 -3.038 1.00 1.00 H new ATOM 0 HA VAL A 45 0.712 4.181 -2.933 1.00 1.00 H new ATOM 0 HB VAL A 45 1.856 6.333 -2.158 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.070 8.132 -3.853 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.133 6.758 -4.237 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.610 6.981 -5.131 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.105 7.745 -2.707 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.578 6.590 -3.976 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.604 6.094 -2.268 1.00 1.00 H new ATOM 680 N MET A 46 1.887 4.964 -5.912 1.00 1.00 N ATOM 681 CA MET A 46 1.588 4.916 -7.331 1.00 1.00 C ATOM 682 C MET A 46 1.158 3.510 -7.738 1.00 1.00 C ATOM 683 O MET A 46 0.237 3.340 -8.536 1.00 1.00 O ATOM 684 CB MET A 46 2.820 5.331 -8.135 1.00 1.00 C ATOM 685 CG MET A 46 2.420 5.584 -9.579 1.00 1.00 C ATOM 686 SD MET A 46 1.427 7.099 -9.686 1.00 1.00 S ATOM 687 CE MET A 46 -0.123 6.346 -10.236 1.00 1.00 C ATOM 0 H MET A 46 2.838 5.255 -5.686 1.00 1.00 H new ATOM 0 HA MET A 46 0.771 5.607 -7.538 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.262 6.230 -7.706 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.578 4.550 -8.088 1.00 1.00 H new ATOM 0 HG2 MET A 46 3.310 5.677 -10.201 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.850 4.737 -9.962 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.902 7.107 -10.279 1.00 1.00 H new ATOM 0 HE2 MET A 46 0.015 5.912 -11.226 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.417 5.565 -9.535 1.00 1.00 H new ATOM 697 N ASN A 47 1.825 2.506 -7.180 1.00 1.00 N ATOM 698 CA ASN A 47 1.494 1.121 -7.491 1.00 1.00 C ATOM 699 C ASN A 47 0.073 0.793 -7.039 1.00 1.00 C ATOM 700 O ASN A 47 -0.707 0.216 -7.794 1.00 1.00 O ATOM 701 CB ASN A 47 2.481 0.187 -6.791 1.00 1.00 C ATOM 702 CG ASN A 47 2.345 -1.221 -7.351 1.00 1.00 C ATOM 703 OD1 ASN A 47 1.370 -1.528 -8.035 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.264 -2.107 -7.093 1.00 1.00 N ATOM 0 H ASN A 47 2.591 2.623 -6.516 1.00 1.00 H new ATOM 0 HA ASN A 47 1.559 0.982 -8.570 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.500 0.548 -6.933 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.291 0.181 -5.718 1.00 1.00 H new ATOM 0 HD21 ASN A 47 3.175 -3.055 -7.458 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.073 -1.853 -6.526 1.00 1.00 H new ATOM 711 N LEU A 48 -0.259 1.165 -5.809 1.00 1.00 N ATOM 712 CA LEU A 48 -1.595 0.894 -5.281 1.00 1.00 C ATOM 713 C LEU A 48 -2.643 1.661 -6.068 1.00 1.00 C ATOM 714 O LEU A 48 -3.676 1.110 -6.440 1.00 1.00 O ATOM 715 CB LEU A 48 -1.653 1.314 -3.805 1.00 1.00 C ATOM 716 CG LEU A 48 -0.617 0.503 -2.998 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.263 1.233 -1.704 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.177 -0.875 -2.631 1.00 1.00 C ATOM 0 H LEU A 48 0.366 1.648 -5.164 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.801 -0.173 -5.371 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.449 2.381 -3.711 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.653 1.145 -3.407 1.00 1.00 H new ATOM 0 HG LEU A 48 0.271 0.388 -3.620 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.469 0.649 -1.145 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.157 2.210 -1.941 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.162 1.361 -1.101 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.432 -1.431 -2.063 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.077 -0.753 -2.028 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.422 -1.422 -3.541 1.00 1.00 H new ATOM 730 N GLU A 49 -2.369 2.929 -6.325 1.00 1.00 N ATOM 731 CA GLU A 49 -3.303 3.756 -7.066 1.00 1.00 C ATOM 732 C GLU A 49 -3.486 3.196 -8.472 1.00 1.00 C ATOM 733 O GLU A 49 -4.575 3.263 -9.042 1.00 1.00 O ATOM 734 CB GLU A 49 -2.782 5.192 -7.148 1.00 1.00 C ATOM 735 CG GLU A 49 -3.869 6.101 -7.723 1.00 1.00 C ATOM 736 CD GLU A 49 -3.339 7.526 -7.856 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.325 7.819 -7.245 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.956 8.302 -8.565 1.00 1.00 O ATOM 0 H GLU A 49 -1.515 3.404 -6.034 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.263 3.754 -6.549 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.489 5.540 -6.157 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -1.892 5.231 -7.776 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.188 5.730 -8.697 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.745 6.089 -7.075 1.00 1.00 H new ATOM 745 N GLU A 50 -2.411 2.640 -9.025 1.00 1.00 N ATOM 746 CA GLU A 50 -2.466 2.068 -10.365 1.00 1.00 C ATOM 747 C GLU A 50 -3.136 0.697 -10.329 1.00 1.00 C ATOM 748 O GLU A 50 -4.052 0.426 -11.107 1.00 1.00 O ATOM 749 CB GLU A 50 -1.054 1.933 -10.939 1.00 1.00 C ATOM 750 CG GLU A 50 -1.127 1.526 -12.415 1.00 1.00 C ATOM 751 CD GLU A 50 -1.668 2.683 -13.247 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.804 3.766 -12.704 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.942 2.467 -14.417 1.00 1.00 O ATOM 0 H GLU A 50 -1.500 2.574 -8.570 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.050 2.733 -11.001 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.520 2.878 -10.839 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.492 1.188 -10.375 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.137 1.242 -12.772 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.770 0.653 -12.529 1.00 1.00 H new ATOM 760 N GLU A 51 -2.670 -0.170 -9.426 1.00 1.00 N ATOM 761 CA GLU A 51 -3.240 -1.509 -9.318 1.00 1.00 C ATOM 762 C GLU A 51 -4.740 -1.435 -9.048 1.00 1.00 C ATOM 763 O GLU A 51 -5.543 -1.998 -9.792 1.00 1.00 O ATOM 764 CB GLU A 51 -2.551 -2.264 -8.181 1.00 1.00 C ATOM 765 CG GLU A 51 -2.979 -3.733 -8.205 1.00 1.00 C ATOM 766 CD GLU A 51 -2.379 -4.425 -9.424 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.529 -3.826 -10.063 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.788 -5.539 -9.708 1.00 1.00 O ATOM 0 H GLU A 51 -1.913 0.029 -8.772 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.082 -2.034 -10.260 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.469 -2.189 -8.285 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.811 -1.815 -7.223 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.650 -4.232 -7.293 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.066 -3.804 -8.233 1.00 1.00 H new ATOM 775 N PHE A 52 -5.110 -0.729 -7.986 1.00 1.00 N ATOM 776 CA PHE A 52 -6.516 -0.574 -7.629 1.00 1.00 C ATOM 777 C PHE A 52 -7.242 0.278 -8.660 1.00 1.00 C ATOM 778 O PHE A 52 -8.411 0.038 -8.963 1.00 1.00 O ATOM 779 CB PHE A 52 -6.644 0.059 -6.242 1.00 1.00 C ATOM 780 CG PHE A 52 -6.256 -0.954 -5.186 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.024 -2.118 -5.012 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.131 -0.737 -4.382 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.663 -3.051 -4.033 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.777 -1.671 -3.410 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.539 -2.825 -3.237 1.00 1.00 C ATOM 0 H PHE A 52 -4.459 -0.256 -7.359 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.975 -1.562 -7.611 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.003 0.938 -6.171 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.667 0.397 -6.078 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.891 -2.292 -5.632 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.537 0.155 -4.515 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.253 -3.945 -3.894 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.910 -1.500 -2.789 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.259 -3.547 -2.484 1.00 1.00 H new ATOM 795 N GLY A 53 -6.545 1.275 -9.192 1.00 1.00 N ATOM 796 CA GLY A 53 -7.137 2.161 -10.186 1.00 1.00 C ATOM 797 C GLY A 53 -7.951 3.255 -9.512 1.00 1.00 C ATOM 798 O GLY A 53 -9.057 3.570 -9.943 1.00 1.00 O ATOM 0 H GLY A 53 -5.577 1.489 -8.954 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.352 2.608 -10.796 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.775 1.587 -10.858 1.00 1.00 H new ATOM 802 N ILE A 54 -7.397 3.831 -8.442 1.00 1.00 N ATOM 803 CA ILE A 54 -8.078 4.895 -7.702 1.00 1.00 C ATOM 804 C ILE A 54 -7.289 6.195 -7.790 1.00 1.00 C ATOM 805 O ILE A 54 -6.426 6.346 -8.654 1.00 1.00 O ATOM 806 CB ILE A 54 -8.241 4.479 -6.244 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.880 4.054 -5.679 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.234 3.320 -6.138 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.998 3.710 -4.191 1.00 1.00 C ATOM 0 H ILE A 54 -6.481 3.579 -8.070 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.061 5.059 -8.143 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.623 5.323 -5.670 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.505 3.191 -6.229 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.156 4.858 -5.816 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.344 3.030 -5.093 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.201 3.632 -6.532 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.865 2.471 -6.714 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.022 3.411 -3.808 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.351 4.583 -3.643 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.705 2.891 -4.062 1.00 1.00 H new ATOM 821 N ASN A 55 -7.602 7.140 -6.904 1.00 1.00 N ATOM 822 CA ASN A 55 -6.928 8.436 -6.890 1.00 1.00 C ATOM 823 C ASN A 55 -6.488 8.781 -5.475 1.00 1.00 C ATOM 824 O ASN A 55 -7.233 9.399 -4.715 1.00 1.00 O ATOM 825 CB ASN A 55 -7.873 9.519 -7.409 1.00 1.00 C ATOM 826 CG ASN A 55 -9.181 9.497 -6.625 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.068 10.312 -6.875 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.354 8.608 -5.684 1.00 1.00 N ATOM 0 H ASN A 55 -8.319 7.031 -6.186 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.051 8.382 -7.535 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.402 10.498 -7.317 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.073 9.360 -8.469 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.226 8.589 -5.155 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -8.617 7.933 -5.478 1.00 1.00 H new ATOM 835 N VAL A 56 -5.271 8.374 -5.128 1.00 1.00 N ATOM 836 CA VAL A 56 -4.732 8.641 -3.798 1.00 1.00 C ATOM 837 C VAL A 56 -4.068 10.012 -3.755 1.00 1.00 C ATOM 838 O VAL A 56 -3.265 10.354 -4.624 1.00 1.00 O ATOM 839 CB VAL A 56 -3.705 7.570 -3.424 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.062 7.930 -2.076 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.398 6.197 -3.323 1.00 1.00 C ATOM 0 H VAL A 56 -4.642 7.861 -5.745 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.556 8.622 -3.085 1.00 1.00 H new ATOM 0 HB VAL A 56 -2.933 7.522 -4.192 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.330 7.169 -1.807 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.566 8.898 -2.156 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.833 7.980 -1.307 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.663 5.437 -3.057 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.173 6.236 -2.558 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.848 5.945 -4.283 1.00 1.00 H new ATOM 851 N ASP A 57 -4.405 10.791 -2.733 1.00 1.00 N ATOM 852 CA ASP A 57 -3.834 12.127 -2.571 1.00 1.00 C ATOM 853 C ASP A 57 -2.566 12.061 -1.729 1.00 1.00 C ATOM 854 O ASP A 57 -2.397 11.154 -0.915 1.00 1.00 O ATOM 855 CB ASP A 57 -4.850 13.053 -1.899 1.00 1.00 C ATOM 856 CG ASP A 57 -5.984 13.370 -2.871 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.823 13.098 -4.049 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.995 13.881 -2.420 1.00 1.00 O ATOM 0 H ASP A 57 -5.068 10.523 -2.006 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.585 12.521 -3.557 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.249 12.580 -1.002 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.362 13.975 -1.583 1.00 1.00 H new ATOM 863 N GLU A 58 -1.678 13.027 -1.930 1.00 1.00 N ATOM 864 CA GLU A 58 -0.425 13.070 -1.184 1.00 1.00 C ATOM 865 C GLU A 58 -0.701 13.240 0.307 1.00 1.00 C ATOM 866 O GLU A 58 0.022 12.702 1.146 1.00 1.00 O ATOM 867 CB GLU A 58 0.433 14.237 -1.681 1.00 1.00 C ATOM 868 CG GLU A 58 0.797 14.015 -3.152 1.00 1.00 C ATOM 869 CD GLU A 58 1.695 12.790 -3.290 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.292 12.405 -2.300 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.774 12.258 -4.385 1.00 1.00 O ATOM 0 H GLU A 58 -1.800 13.787 -2.599 1.00 1.00 H new ATOM 0 HA GLU A 58 0.108 12.132 -1.341 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.110 15.175 -1.568 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.339 14.318 -1.080 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.109 13.880 -3.743 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.306 14.895 -3.546 1.00 1.00 H new ATOM 878 N ASP A 59 -1.747 13.990 0.629 1.00 1.00 N ATOM 879 CA ASP A 59 -2.103 14.223 2.023 1.00 1.00 C ATOM 880 C ASP A 59 -2.685 12.962 2.643 1.00 1.00 C ATOM 881 O ASP A 59 -2.698 12.807 3.863 1.00 1.00 O ATOM 882 CB ASP A 59 -3.124 15.360 2.119 1.00 1.00 C ATOM 883 CG ASP A 59 -2.463 16.683 1.750 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.248 16.704 1.637 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.181 17.655 1.582 1.00 1.00 O ATOM 0 H ASP A 59 -2.359 14.444 -0.049 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.200 14.499 2.568 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.963 15.164 1.452 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.527 15.414 3.130 1.00 1.00 H new ATOM 890 N LYS A 60 -3.170 12.063 1.795 1.00 1.00 N ATOM 891 CA LYS A 60 -3.756 10.815 2.268 1.00 1.00 C ATOM 892 C LYS A 60 -2.684 9.754 2.462 1.00 1.00 C ATOM 893 O LYS A 60 -2.804 8.893 3.331 1.00 1.00 O ATOM 894 CB LYS A 60 -4.802 10.310 1.265 1.00 1.00 C ATOM 895 CG LYS A 60 -5.749 9.307 1.959 1.00 1.00 C ATOM 896 CD LYS A 60 -6.907 10.060 2.624 1.00 1.00 C ATOM 897 CE LYS A 60 -7.852 9.063 3.283 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.966 9.803 3.936 1.00 1.00 N ATOM 0 H LYS A 60 -3.169 12.174 0.781 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.236 11.007 3.228 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.373 11.149 0.868 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.308 9.832 0.419 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.137 8.595 1.230 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -5.201 8.732 2.705 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.521 10.757 3.368 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.444 10.650 1.882 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.246 8.371 2.539 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.314 8.467 4.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.614 9.127 4.388 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.580 10.447 4.656 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.483 10.354 3.221 1.00 1.00 H new ATOM 912 N ALA A 61 -1.643 9.819 1.640 1.00 1.00 N ATOM 913 CA ALA A 61 -0.544 8.851 1.709 1.00 1.00 C ATOM 914 C ALA A 61 0.710 9.513 2.248 1.00 1.00 C ATOM 915 O ALA A 61 1.775 9.417 1.647 1.00 1.00 O ATOM 916 CB ALA A 61 -0.263 8.280 0.315 1.00 1.00 C ATOM 0 H ALA A 61 -1.533 10.530 0.917 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.835 8.043 2.380 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.555 7.562 0.374 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.157 7.782 -0.061 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.013 9.089 -0.361 1.00 1.00 H new ATOM 922 N GLN A 62 0.578 10.186 3.388 1.00 1.00 N ATOM 923 CA GLN A 62 1.718 10.868 4.017 1.00 1.00 C ATOM 924 C GLN A 62 2.009 10.280 5.392 1.00 1.00 C ATOM 925 O GLN A 62 3.167 10.146 5.786 1.00 1.00 O ATOM 926 CB GLN A 62 1.419 12.358 4.152 1.00 1.00 C ATOM 927 CG GLN A 62 0.161 12.554 4.994 1.00 1.00 C ATOM 928 CD GLN A 62 -0.251 14.024 4.979 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.360 14.831 4.279 1.00 1.00 O ATOM 930 NE2 GLN A 62 -1.257 14.418 5.710 1.00 1.00 N ATOM 0 H GLN A 62 -0.301 10.277 3.897 1.00 1.00 H new ATOM 0 HA GLN A 62 2.594 10.726 3.385 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.263 12.868 4.617 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.282 12.802 3.166 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.648 11.937 4.604 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.344 12.229 6.018 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.761 13.746 6.289 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.540 15.398 5.703 1.00 1.00 H new ATOM 939 N ASP A 63 0.953 9.933 6.124 1.00 1.00 N ATOM 940 CA ASP A 63 1.098 9.366 7.464 1.00 1.00 C ATOM 941 C ASP A 63 0.160 8.181 7.663 1.00 1.00 C ATOM 942 O ASP A 63 -0.574 8.119 8.649 1.00 1.00 O ATOM 943 CB ASP A 63 0.795 10.438 8.508 1.00 1.00 C ATOM 944 CG ASP A 63 -0.637 10.936 8.350 1.00 1.00 C ATOM 945 OD1 ASP A 63 -1.287 10.525 7.404 1.00 1.00 O ATOM 946 OD2 ASP A 63 -1.062 11.722 9.181 1.00 1.00 O ATOM 0 H ASP A 63 -0.013 10.034 5.812 1.00 1.00 H new ATOM 0 HA ASP A 63 2.124 9.015 7.579 1.00 1.00 H new ATOM 0 HB2 ASP A 63 0.938 10.032 9.509 1.00 1.00 H new ATOM 0 HB3 ASP A 63 1.491 11.270 8.399 1.00 1.00 H new ATOM 951 N ILE A 64 0.194 7.240 6.726 1.00 1.00 N ATOM 952 CA ILE A 64 -0.648 6.047 6.808 1.00 1.00 C ATOM 953 C ILE A 64 0.061 4.937 7.570 1.00 1.00 C ATOM 954 O ILE A 64 1.208 4.601 7.275 1.00 1.00 O ATOM 955 CB ILE A 64 -1.006 5.562 5.402 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.799 6.658 4.671 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.848 4.292 5.491 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.116 6.988 5.407 1.00 1.00 C ATOM 0 H ILE A 64 0.793 7.278 5.902 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.561 6.308 7.344 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.091 5.345 4.851 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.190 7.558 4.592 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.020 6.332 3.655 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.100 3.951 4.487 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.282 3.516 6.006 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.764 4.501 6.044 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.651 7.766 4.863 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.736 6.093 5.463 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.892 7.338 6.415 1.00 1.00 H new ATOM 970 N SER A 65 -0.641 4.370 8.545 1.00 1.00 N ATOM 971 CA SER A 65 -0.088 3.289 9.347 1.00 1.00 C ATOM 972 C SER A 65 0.330 2.131 8.443 1.00 1.00 C ATOM 973 O SER A 65 0.338 2.257 7.217 1.00 1.00 O ATOM 974 CB SER A 65 -1.120 2.822 10.393 1.00 1.00 C ATOM 975 OG SER A 65 -0.703 3.263 11.676 1.00 1.00 O ATOM 0 H SER A 65 -1.591 4.641 8.797 1.00 1.00 H new ATOM 0 HA SER A 65 0.794 3.651 9.875 1.00 1.00 H new ATOM 0 HB2 SER A 65 -2.105 3.225 10.157 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.208 1.736 10.378 1.00 1.00 H new ATOM 0 HG SER A 65 -1.353 2.973 12.349 1.00 1.00 H new ATOM 981 N THR A 66 0.681 1.014 9.067 1.00 1.00 N ATOM 982 CA THR A 66 1.095 -0.177 8.337 1.00 1.00 C ATOM 983 C THR A 66 0.082 -0.515 7.245 1.00 1.00 C ATOM 984 O THR A 66 -0.820 0.267 6.949 1.00 1.00 O ATOM 985 CB THR A 66 1.237 -1.362 9.293 1.00 1.00 C ATOM 986 OG1 THR A 66 1.791 -2.467 8.596 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.122 -1.756 9.846 1.00 1.00 C ATOM 0 H THR A 66 0.687 0.908 10.081 1.00 1.00 H new ATOM 0 HA THR A 66 2.060 0.025 7.872 1.00 1.00 H new ATOM 0 HB THR A 66 1.890 -1.074 10.116 1.00 1.00 H new ATOM 0 HG1 THR A 66 1.120 -3.177 8.522 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.007 -2.601 10.525 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.554 -0.913 10.385 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.781 -2.038 9.025 1.00 1.00 H new ATOM 995 N ILE A 67 0.253 -1.680 6.635 1.00 1.00 N ATOM 996 CA ILE A 67 -0.637 -2.102 5.562 1.00 1.00 C ATOM 997 C ILE A 67 -2.077 -2.203 6.052 1.00 1.00 C ATOM 998 O ILE A 67 -3.006 -1.786 5.361 1.00 1.00 O ATOM 999 CB ILE A 67 -0.187 -3.457 5.006 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.165 -3.286 4.293 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.240 -3.989 4.024 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.760 -4.672 4.026 1.00 1.00 C ATOM 0 H ILE A 67 0.993 -2.344 6.862 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.592 -1.352 4.773 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.076 -4.172 5.821 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.032 -2.745 3.356 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.844 -2.696 4.908 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -0.917 -4.953 3.631 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.192 -4.109 4.541 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.360 -3.283 3.202 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.720 -4.565 3.520 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.905 -5.194 4.972 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.080 -5.245 3.396 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.259 -2.760 7.237 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.598 -2.912 7.798 1.00 1.00 C ATOM 1016 C GLN A 68 -4.434 -1.654 7.583 1.00 1.00 C ATOM 1017 O GLN A 68 -5.549 -1.722 7.064 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.506 -3.207 9.297 1.00 1.00 C ATOM 1019 CG GLN A 68 -2.996 -4.636 9.511 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.145 -5.628 9.335 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.767 -6.036 10.314 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.483 -6.021 8.138 1.00 1.00 N ATOM 0 H GLN A 68 -1.506 -3.113 7.828 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.083 -3.743 7.285 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.835 -2.495 9.777 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.484 -3.086 9.762 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.200 -4.858 8.800 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.569 -4.734 10.509 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.967 -5.683 7.326 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.263 -6.667 8.014 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.905 -0.511 7.998 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.623 0.744 7.851 1.00 1.00 C ATOM 1033 C GLN A 69 -4.763 1.139 6.384 1.00 1.00 C ATOM 1034 O GLN A 69 -5.817 1.606 5.956 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.881 1.856 8.621 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.884 2.785 9.301 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.808 3.401 8.256 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.754 2.756 7.808 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.583 4.615 7.836 1.00 1.00 N ATOM 0 H GLN A 69 -2.988 -0.428 8.436 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.624 0.612 8.261 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.220 1.414 9.367 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.253 2.426 7.936 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.469 2.230 10.035 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.357 3.571 9.842 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.797 5.147 8.210 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.193 5.033 7.133 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.693 0.967 5.629 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.704 1.336 4.222 1.00 1.00 C ATOM 1050 C ALA A 70 -4.841 0.638 3.492 1.00 1.00 C ATOM 1051 O ALA A 70 -5.500 1.234 2.640 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.374 0.958 3.572 1.00 1.00 C ATOM 0 H ALA A 70 -2.811 0.577 5.962 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.850 2.414 4.153 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.391 1.238 2.519 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.561 1.483 4.074 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.219 -0.117 3.659 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.066 -0.622 3.827 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.128 -1.386 3.194 1.00 1.00 C ATOM 1060 C ALA A 71 -7.476 -0.709 3.403 1.00 1.00 C ATOM 1061 O ALA A 71 -8.250 -0.552 2.463 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.171 -2.789 3.786 1.00 1.00 C ATOM 0 H ALA A 71 -4.532 -1.134 4.529 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.925 -1.441 2.125 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.968 -3.360 3.310 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.216 -3.286 3.614 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.360 -2.726 4.858 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.754 -0.319 4.641 1.00 1.00 N ATOM 1069 CA ASP A 72 -9.018 0.333 4.956 1.00 1.00 C ATOM 1070 C ASP A 72 -9.148 1.660 4.212 1.00 1.00 C ATOM 1071 O ASP A 72 -10.225 2.012 3.732 1.00 1.00 O ATOM 1072 CB ASP A 72 -9.113 0.584 6.462 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.452 1.231 6.801 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -11.182 1.557 5.880 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.728 1.390 7.981 1.00 1.00 O ATOM 0 H ASP A 72 -7.127 -0.441 5.436 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.828 -0.325 4.640 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -9.007 -0.356 7.003 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -8.296 1.230 6.783 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.045 2.396 4.128 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.047 3.685 3.446 1.00 1.00 C ATOM 1082 C VAL A 73 -8.363 3.506 1.964 1.00 1.00 C ATOM 1083 O VAL A 73 -9.144 4.265 1.388 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.684 4.366 3.607 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.634 5.630 2.745 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.474 4.748 5.075 1.00 1.00 C ATOM 0 H VAL A 73 -7.144 2.124 4.521 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.817 4.312 3.895 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.900 3.679 3.290 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.663 6.112 2.862 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.783 5.363 1.699 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.420 6.316 3.060 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.504 5.232 5.190 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.261 5.433 5.389 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.507 3.851 5.693 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.749 2.504 1.352 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.968 2.240 -0.065 1.00 1.00 C ATOM 1098 C ILE A 74 -9.424 1.860 -0.313 1.00 1.00 C ATOM 1099 O ILE A 74 -10.035 2.316 -1.281 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.035 1.111 -0.538 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.615 1.663 -0.729 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.538 0.526 -1.870 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.611 0.509 -0.711 1.00 1.00 C ATOM 0 H ILE A 74 -7.100 1.864 1.809 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.744 3.144 -0.631 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.026 0.324 0.216 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.547 2.203 -1.674 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.381 2.375 0.062 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.869 -0.271 -2.193 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.542 0.124 -1.735 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.560 1.310 -2.627 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.603 0.901 -0.847 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.672 -0.012 0.245 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.841 -0.186 -1.518 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.968 1.019 0.551 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.348 0.582 0.398 1.00 1.00 C ATOM 1117 C GLU A 75 -12.263 1.774 0.136 1.00 1.00 C ATOM 1118 O GLU A 75 -13.121 1.724 -0.745 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.806 -0.160 1.662 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.255 -1.584 1.658 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.719 -2.316 2.908 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.390 -1.700 3.721 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.396 -3.480 3.031 1.00 1.00 O ATOM 0 H GLU A 75 -9.482 0.628 1.358 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.404 -0.093 -0.456 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.461 0.370 2.550 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.895 -0.182 1.707 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.595 -2.113 0.768 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.166 -1.563 1.620 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.073 2.842 0.898 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.889 4.038 0.726 1.00 1.00 C ATOM 1132 C GLY A 76 -12.654 4.654 -0.648 1.00 1.00 C ATOM 1133 O GLY A 76 -13.583 5.163 -1.274 1.00 1.00 O ATOM 0 H GLY A 76 -11.369 2.906 1.634 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.943 3.786 0.842 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.648 4.764 1.502 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.410 4.594 -1.114 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.067 5.145 -2.421 1.00 1.00 C ATOM 1139 C LEU A 77 -11.621 4.270 -3.525 1.00 1.00 C ATOM 1140 O LEU A 77 -11.669 4.679 -4.683 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.551 5.268 -2.561 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.034 6.361 -1.614 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.508 6.287 -1.538 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.451 7.761 -2.127 1.00 1.00 C ATOM 0 H LEU A 77 -10.629 4.173 -0.611 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.511 6.137 -2.506 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.075 4.315 -2.327 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.289 5.511 -3.591 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.465 6.202 -0.625 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.139 7.062 -0.866 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.209 5.309 -1.162 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.086 6.438 -2.532 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.077 8.525 -1.445 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.032 7.924 -3.120 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.538 7.821 -2.178 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.051 3.070 -3.156 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.634 2.139 -4.116 1.00 1.00 C ATOM 1158 C LEU A 78 -14.162 2.235 -4.111 1.00 1.00 C ATOM 1159 O LEU A 78 -14.823 1.617 -4.940 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.212 0.717 -3.779 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.773 0.455 -4.262 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.220 -0.799 -3.584 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.747 0.256 -5.797 1.00 1.00 C ATOM 0 H LEU A 78 -12.007 2.718 -2.200 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.273 2.402 -5.110 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.276 0.557 -2.703 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.894 0.008 -4.247 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.158 1.317 -4.002 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.202 -0.980 -3.929 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.217 -0.657 -2.503 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -10.846 -1.655 -3.836 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.723 0.072 -6.123 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.372 -0.596 -6.064 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.128 1.152 -6.287 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.721 2.990 -3.156 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.149 3.154 -3.030 1.00 1.00 C ATOM 1177 C GLU A 79 -16.615 4.500 -3.543 1.00 1.00 C ATOM 1178 O GLU A 79 -17.781 4.656 -3.898 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.492 3.026 -1.568 1.00 1.00 C ATOM 1180 CG GLU A 79 -17.890 3.567 -1.336 1.00 1.00 C ATOM 1181 CD GLU A 79 -18.515 3.019 -0.049 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.791 2.430 0.733 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -19.709 3.204 0.130 1.00 1.00 O ATOM 0 H GLU A 79 -14.183 3.499 -2.455 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.649 2.393 -3.629 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.437 1.982 -1.259 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -15.771 3.576 -0.963 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -17.853 4.655 -1.286 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -18.524 3.309 -2.185 1.00 1.00 H new ATOM 1190 N LYS A 80 -15.721 5.462 -3.558 1.00 1.00 N ATOM 1191 CA LYS A 80 -16.048 6.803 -4.025 1.00 1.00 C ATOM 1192 C LYS A 80 -16.985 6.743 -5.240 1.00 1.00 C ATOM 1193 O LYS A 80 -17.665 7.716 -5.563 1.00 1.00 O ATOM 1194 CB LYS A 80 -14.745 7.558 -4.393 1.00 1.00 C ATOM 1195 CG LYS A 80 -13.680 6.584 -4.923 1.00 1.00 C ATOM 1196 CD LYS A 80 -14.065 6.028 -6.330 1.00 1.00 C ATOM 1197 CE LYS A 80 -14.296 4.516 -6.277 1.00 1.00 C ATOM 1198 NZ LYS A 80 -14.921 4.072 -7.548 1.00 1.00 N ATOM 0 H LYS A 80 -14.755 5.346 -3.252 1.00 1.00 H new ATOM 0 HA LYS A 80 -16.562 7.336 -3.225 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -14.959 8.315 -5.147 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -14.362 8.080 -3.516 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -12.717 7.092 -4.982 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -13.561 5.757 -4.223 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -14.967 6.525 -6.687 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -13.273 6.254 -7.044 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -13.350 3.997 -6.122 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -14.939 4.264 -5.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -15.844 3.636 -7.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -15.054 4.892 -8.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -14.304 3.377 -8.014 1.00 1.00 H new ATOM 1212 N LYS A 81 -17.020 5.583 -5.897 1.00 1.00 N ATOM 1213 CA LYS A 81 -17.869 5.393 -7.055 1.00 1.00 C ATOM 1214 C LYS A 81 -18.035 3.907 -7.354 1.00 1.00 C ATOM 1215 O LYS A 81 -17.105 3.118 -7.190 1.00 1.00 O ATOM 1216 CB LYS A 81 -17.267 6.098 -8.270 1.00 1.00 C ATOM 1217 CG LYS A 81 -18.338 6.258 -9.346 1.00 1.00 C ATOM 1218 CD LYS A 81 -17.765 7.053 -10.518 1.00 1.00 C ATOM 1219 CE LYS A 81 -18.842 7.225 -11.588 1.00 1.00 C ATOM 1220 NZ LYS A 81 -18.287 8.002 -12.731 1.00 1.00 N ATOM 0 H LYS A 81 -16.467 4.765 -5.640 1.00 1.00 H new ATOM 0 HA LYS A 81 -18.848 5.822 -6.840 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.877 7.074 -7.982 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -16.428 5.522 -8.660 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -18.676 5.279 -9.687 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -19.208 6.770 -8.935 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -17.418 8.028 -10.176 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -16.901 6.536 -10.935 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -19.188 6.250 -11.931 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -19.706 7.741 -11.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -19.020 8.119 -13.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -17.978 8.937 -12.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -17.475 7.493 -13.135 1.00 1.00 H new ATOM 1234 N ALA A 82 -19.225 3.532 -7.795 1.00 1.00 N ATOM 1235 CA ALA A 82 -19.504 2.141 -8.120 1.00 1.00 C ATOM 1236 C ALA A 82 -18.956 1.211 -7.041 1.00 1.00 C ATOM 1237 O ALA A 82 -18.740 1.680 -5.936 1.00 1.00 O ATOM 1238 CB ALA A 82 -18.883 1.780 -9.471 1.00 1.00 C ATOM 1239 OXT ALA A 82 -18.765 0.042 -7.334 1.00 1.00 O ATOM 0 H ALA A 82 -20.010 4.167 -7.936 1.00 1.00 H new ATOM 0 HA ALA A 82 -20.586 2.016 -8.173 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -19.098 0.737 -9.703 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -19.304 2.419 -10.247 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -17.804 1.926 -9.426 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 16.457 6.406 -2.063 1.00 1.00 O HETATM 1247 P24 PNS A 101 17.603 5.364 -1.628 1.00 1.00 P HETATM 1248 O25 PNS A 101 18.280 5.891 -0.421 1.00 1.00 O HETATM 1249 O26 PNS A 101 18.400 5.026 -2.829 1.00 1.00 O HETATM 1250 O27 PNS A 101 16.750 4.066 -1.201 1.00 1.00 O HETATM 1251 C28 PNS A 101 16.238 3.176 -2.187 1.00 1.00 C HETATM 1252 C29 PNS A 101 16.174 1.760 -1.601 1.00 1.00 C HETATM 1253 C30 PNS A 101 17.455 1.459 -0.829 1.00 1.00 C HETATM 1254 C31 PNS A 101 16.007 0.753 -2.749 1.00 1.00 C HETATM 1255 C32 PNS A 101 14.999 1.652 -0.635 1.00 1.00 C HETATM 1256 O33 PNS A 101 13.812 1.923 -1.357 1.00 1.00 O HETATM 1257 C34 PNS A 101 14.925 0.247 -0.043 1.00 1.00 C HETATM 1258 O35 PNS A 101 14.403 -0.676 -0.668 1.00 1.00 O HETATM 1259 N36 PNS A 101 15.453 0.097 1.164 1.00 1.00 N HETATM 1260 C37 PNS A 101 15.445 -1.195 1.833 1.00 1.00 C HETATM 1261 C38 PNS A 101 14.039 -1.508 2.367 1.00 1.00 C HETATM 1262 C39 PNS A 101 14.125 -2.430 3.580 1.00 1.00 C HETATM 1263 O40 PNS A 101 14.988 -3.304 3.647 1.00 1.00 O HETATM 1264 N41 PNS A 101 13.228 -2.229 4.538 1.00 1.00 N HETATM 1265 C42 PNS A 101 13.219 -3.049 5.744 1.00 1.00 C HETATM 1266 C43 PNS A 101 11.855 -2.973 6.427 1.00 1.00 C HETATM 1267 S44 PNS A 101 11.213 -1.311 6.279 1.00 1.00 S HETATM 0 H432 PNS A 101 11.166 -3.683 5.970 1.00 1.00 H new HETATM 0 H431 PNS A 101 11.946 -3.248 7.478 1.00 1.00 H new HETATM 0 H422 PNS A 101 13.996 -2.709 6.429 1.00 1.00 H new HETATM 0 H421 PNS A 101 13.449 -4.084 5.490 1.00 1.00 H new HETATM 0 H382 PNS A 101 13.443 -1.979 1.586 1.00 1.00 H new HETATM 0 H381 PNS A 101 13.532 -0.582 2.641 1.00 1.00 H new HETATM 0 H372 PNS A 101 16.161 -1.192 2.654 1.00 1.00 H new HETATM 0 H371 PNS A 101 15.760 -1.974 1.139 1.00 1.00 H new HETATM 0 H313 PNS A 101 15.960 -0.257 -2.343 1.00 1.00 H new HETATM 0 H312 PNS A 101 16.856 0.832 -3.429 1.00 1.00 H new HETATM 0 H311 PNS A 101 15.086 0.969 -3.291 1.00 1.00 H new HETATM 0 H303 PNS A 101 17.403 0.452 -0.416 1.00 1.00 H new HETATM 0 H302 PNS A 101 17.569 2.178 -0.018 1.00 1.00 H new HETATM 0 H301 PNS A 101 18.310 1.531 -1.501 1.00 1.00 H new HETATM 0 H282 PNS A 101 16.875 3.188 -3.072 1.00 1.00 H new HETATM 0 H281 PNS A 101 15.246 3.497 -2.504 1.00 1.00 H new HETATM 0 H41 PNS A 101 12.534 -1.489 4.429 1.00 1.00 H new HETATM 0 H36 PNS A 101 15.872 0.901 1.631 1.00 1.00 H new HETATM 0 H33 PNS A 101 13.052 1.951 -0.739 1.00 1.00 H new HETATM 0 H32 PNS A 101 15.125 2.363 0.181 1.00 1.00 H new HETATM 1288 C1 STE A 102 11.368 -0.301 7.688 1.00 1.00 C HETATM 1289 O1 STE A 102 11.875 -0.680 8.720 1.00 1.00 O HETATM 1290 C2 STE A 102 10.800 1.073 7.465 1.00 1.00 C HETATM 1291 C3 STE A 102 9.393 1.156 8.059 1.00 1.00 C HETATM 1292 C4 STE A 102 8.688 2.395 7.511 1.00 1.00 C HETATM 1293 C5 STE A 102 7.469 2.716 8.378 1.00 1.00 C HETATM 1294 C6 STE A 102 6.792 4.003 7.869 1.00 1.00 C HETATM 1295 C7 STE A 102 5.858 3.665 6.714 1.00 1.00 C HETATM 1296 C8 STE A 102 5.130 4.928 6.259 1.00 1.00 C HETATM 1297 C9 STE A 102 3.974 4.560 5.319 1.00 1.00 C HETATM 1298 C10 STE A 102 4.513 4.321 3.903 1.00 1.00 C HETATM 1299 C11 STE A 102 3.386 3.814 3.005 1.00 1.00 C HETATM 1300 C12 STE A 102 2.433 4.960 2.669 1.00 1.00 C HETATM 1301 C13 STE A 102 1.532 4.539 1.521 1.00 1.00 C HETATM 1302 C14 STE A 102 0.632 3.378 1.970 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.552 3.246 1.001 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.691 4.205 1.412 1.00 1.00 C HETATM 1305 C17 STE A 102 -2.460 4.658 0.172 1.00 1.00 C HETATM 1306 C18 STE A 102 -2.941 3.434 -0.631 1.00 1.00 C HETATM 0 H183 STE A 102 -2.080 2.841 -0.941 1.00 1.00 H new HETATM 0 H182 STE A 102 -3.596 2.824 -0.008 1.00 1.00 H new HETATM 0 H181 STE A 102 -3.488 3.769 -1.512 1.00 1.00 H new HETATM 0 H172 STE A 102 -3.314 5.267 0.467 1.00 1.00 H new HETATM 0 H171 STE A 102 -1.822 5.284 -0.452 1.00 1.00 H new HETATM 0 H162 STE A 102 -2.366 3.706 2.107 1.00 1.00 H new HETATM 0 H161 STE A 102 -1.280 5.070 1.932 1.00 1.00 H new HETATM 0 H152 STE A 102 -0.226 3.471 -0.015 1.00 1.00 H new HETATM 0 H151 STE A 102 -0.916 2.218 0.998 1.00 1.00 H new HETATM 0 H142 STE A 102 1.202 2.449 1.993 1.00 1.00 H new HETATM 0 H141 STE A 102 0.269 3.555 2.983 1.00 1.00 H new HETATM 0 H132 STE A 102 0.921 5.382 1.197 1.00 1.00 H new HETATM 0 H131 STE A 102 2.135 4.235 0.665 1.00 1.00 H new HETATM 0 H122 STE A 102 1.833 5.218 3.542 1.00 1.00 H new HETATM 0 H121 STE A 102 2.998 5.851 2.396 1.00 1.00 H new HETATM 0 H112 STE A 102 3.801 3.394 2.089 1.00 1.00 H new HETATM 0 H111 STE A 102 2.843 3.013 3.506 1.00 1.00 H new HETATM 0 H102 STE A 102 4.926 5.246 3.499 1.00 1.00 H new HETATM 0 H101 STE A 102 5.325 3.594 3.930 1.00 1.00 H new HETATM 0 H92 STE A 102 3.469 3.665 5.682 1.00 1.00 H new HETATM 0 H91 STE A 102 3.234 5.360 5.306 1.00 1.00 H new HETATM 0 H82 STE A 102 4.747 5.468 7.125 1.00 1.00 H new HETATM 0 H81 STE A 102 5.826 5.595 5.749 1.00 1.00 H new HETATM 0 H72 STE A 102 6.426 3.242 5.885 1.00 1.00 H new HETATM 0 H71 STE A 102 5.137 2.909 7.025 1.00 1.00 H new HETATM 0 H62 STE A 102 6.233 4.476 8.676 1.00 1.00 H new HETATM 0 H61 STE A 102 7.547 4.719 7.543 1.00 1.00 H new HETATM 0 H52 STE A 102 6.762 1.887 8.350 1.00 1.00 H new HETATM 0 H51 STE A 102 7.773 2.840 9.417 1.00 1.00 H new HETATM 0 H42 STE A 102 9.374 3.242 7.502 1.00 1.00 H new HETATM 0 H41 STE A 102 8.379 2.224 6.480 1.00 1.00 H new HETATM 0 H32 STE A 102 8.826 0.260 7.808 1.00 1.00 H new HETATM 0 H31 STE A 102 9.447 1.205 9.147 1.00 1.00 H new HETATM 0 H22 STE A 102 11.444 1.822 7.926 1.00 1.00 H new HETATM 0 H21 STE A 102 10.768 1.294 6.398 1.00 1.00 H new