USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 514 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 39 LYS NZ :NH3+ -139:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 MET CE :methyl -114:sc= -0.348 (180deg=-0.387) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0.179 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.21 X(o=0.39,f=0.22) USER MOD Set 3.1: A 14 CYS SG : rot 145:sc= 0.378 USER MOD Set 3.2: A 23 CYS SG : rot -22:sc= 0.946 USER MOD Set 3.3: A 26 CYS SG : rot -179:sc= -3.1! USER MOD Set 4.1: A 9 MET CE :methyl -166:sc=-0.00976 (180deg=0) USER MOD Set 4.2: A 11 GLN : amide:sc= 0.468 K(o=0.46,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0258 (180deg=0) USER MOD Single : A 2 SER OG : rot 168:sc= 0.234 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.282 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.552 USER MOD Single : A 16 HIS : no HD1:sc= -0.0953 X(o=-0.095,f=-0.1) USER MOD Single : A 17 SER OG : rot 170:sc= -0.0455 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0623 (180deg=-0.375) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00166 K(o=-0.0017,f=-0.89) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 52:sc= -0.56 USER MOD Single : A 70 THR OG1 : rot 150:sc=-0.00282 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.360 -10.394 -14.752 1.00100.00 N ATOM 2 CA GLY A 1 -11.569 -11.405 -14.026 1.00100.00 C ATOM 3 C GLY A 1 -10.505 -11.956 -14.916 1.00100.00 C ATOM 4 O GLY A 1 -10.700 -12.170 -16.114 1.00100.00 O ATOM 0 H1 GLY A 1 -13.369 -10.520 -14.533 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.058 -9.442 -14.460 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.211 -10.506 -15.775 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.118 -10.958 -13.140 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.219 -12.209 -13.682 1.00100.00 H new ATOM 10 N SER A 2 -9.330 -12.162 -14.284 1.00100.00 N ATOM 11 CA SER A 2 -8.176 -12.688 -14.955 1.00100.00 C ATOM 12 C SER A 2 -7.660 -13.853 -14.173 1.00100.00 C ATOM 13 O SER A 2 -7.859 -13.940 -12.955 1.00100.00 O ATOM 14 CB SER A 2 -7.035 -11.655 -15.131 1.00100.00 C ATOM 15 OG SER A 2 -6.585 -11.223 -13.865 1.00100.00 O ATOM 0 H SER A 2 -9.179 -11.961 -13.295 1.00100.00 H new ATOM 0 HA SER A 2 -8.493 -12.978 -15.957 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.211 -12.101 -15.688 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.389 -10.803 -15.712 1.00100.00 H new ATOM 0 HG SER A 2 -5.745 -10.728 -13.968 1.00100.00 H new ATOM 21 N THR A 3 -6.994 -14.791 -14.883 1.00100.00 N ATOM 22 CA THR A 3 -6.440 -15.958 -14.262 1.00100.00 C ATOM 23 C THR A 3 -5.096 -15.546 -13.734 1.00100.00 C ATOM 24 O THR A 3 -4.052 -15.701 -14.368 1.00100.00 O ATOM 25 CB THR A 3 -6.350 -17.148 -15.195 1.00100.00 C ATOM 26 OG1 THR A 3 -7.634 -17.439 -15.702 1.00100.00 O ATOM 27 CG2 THR A 3 -5.820 -18.369 -14.446 1.00100.00 C ATOM 0 H THR A 3 -6.840 -14.738 -15.890 1.00100.00 H new ATOM 0 HA THR A 3 -7.092 -16.306 -13.461 1.00100.00 H new ATOM 0 HB THR A 3 -5.669 -16.907 -16.012 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.580 -18.208 -16.308 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.760 -19.217 -15.128 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.828 -18.151 -14.051 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.493 -18.612 -13.624 1.00100.00 H new ATOM 35 N ALA A 4 -5.149 -14.945 -12.533 1.00100.00 N ATOM 36 CA ALA A 4 -4.006 -14.474 -11.821 1.00100.00 C ATOM 37 C ALA A 4 -3.930 -15.361 -10.629 1.00100.00 C ATOM 38 O ALA A 4 -4.954 -15.743 -10.049 1.00100.00 O ATOM 39 CB ALA A 4 -4.149 -13.022 -11.319 1.00100.00 C ATOM 0 H ALA A 4 -6.026 -14.781 -12.038 1.00100.00 H new ATOM 0 HA ALA A 4 -3.132 -14.489 -12.472 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.244 -12.730 -10.787 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.301 -12.357 -12.169 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.004 -12.952 -10.646 1.00100.00 H new ATOM 45 N MET A 5 -2.682 -15.716 -10.252 1.00100.00 N ATOM 46 CA MET A 5 -2.453 -16.574 -9.125 1.00100.00 C ATOM 47 C MET A 5 -2.942 -15.931 -7.859 1.00100.00 C ATOM 48 O MET A 5 -2.891 -14.706 -7.709 1.00100.00 O ATOM 49 CB MET A 5 -0.970 -16.990 -8.957 1.00100.00 C ATOM 50 CG MET A 5 -0.098 -15.843 -8.439 1.00100.00 C ATOM 51 SD MET A 5 -0.019 -14.382 -9.507 1.00100.00 S ATOM 52 CE MET A 5 1.057 -13.344 -8.484 1.00100.00 C ATOM 0 H MET A 5 -1.834 -15.409 -10.728 1.00100.00 H new ATOM 0 HA MET A 5 -3.020 -17.484 -9.324 1.00100.00 H new ATOM 0 HB2 MET A 5 -0.907 -17.831 -8.267 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.581 -17.334 -9.915 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.472 -15.538 -7.462 1.00100.00 H new ATOM 0 HG3 MET A 5 0.915 -16.218 -8.290 1.00100.00 H new ATOM 0 HE1 MET A 5 1.223 -12.389 -8.983 1.00100.00 H new ATOM 0 HE2 MET A 5 0.584 -13.171 -7.517 1.00100.00 H new ATOM 0 HE3 MET A 5 2.013 -13.846 -8.335 1.00100.00 H new ATOM 62 N ALA A 6 -3.761 -16.733 -7.140 1.00100.00 N ATOM 63 CA ALA A 6 -4.403 -16.400 -5.893 1.00100.00 C ATOM 64 C ALA A 6 -5.304 -15.188 -6.003 1.00100.00 C ATOM 65 O ALA A 6 -5.520 -14.468 -5.025 1.00100.00 O ATOM 66 CB ALA A 6 -3.393 -16.239 -4.728 1.00100.00 C ATOM 0 H ALA A 6 -3.990 -17.677 -7.451 1.00100.00 H new ATOM 0 HA ALA A 6 -5.039 -17.253 -5.657 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.930 -15.989 -3.813 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.850 -17.173 -4.586 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.688 -15.442 -4.965 1.00100.00 H new ATOM 72 N THR A 7 -5.863 -14.965 -7.225 1.00100.00 N ATOM 73 CA THR A 7 -6.757 -13.889 -7.584 1.00100.00 C ATOM 74 C THR A 7 -6.224 -12.521 -7.202 1.00100.00 C ATOM 75 O THR A 7 -6.946 -11.673 -6.673 1.00100.00 O ATOM 76 CB THR A 7 -8.194 -14.125 -7.148 1.00100.00 C ATOM 77 OG1 THR A 7 -8.270 -14.182 -5.741 1.00100.00 O ATOM 78 CG2 THR A 7 -8.715 -15.435 -7.739 1.00100.00 C ATOM 0 H THR A 7 -5.674 -15.583 -8.014 1.00100.00 H new ATOM 0 HA THR A 7 -6.792 -13.891 -8.673 1.00100.00 H new ATOM 0 HB THR A 7 -8.807 -13.299 -7.509 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.368 -14.123 -5.362 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.745 -15.594 -7.420 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.676 -15.384 -8.827 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.096 -16.262 -7.392 1.00100.00 H new ATOM 86 N THR A 8 -4.911 -12.297 -7.464 1.00100.00 N ATOM 87 CA THR A 8 -4.238 -11.052 -7.163 1.00100.00 C ATOM 88 C THR A 8 -4.706 -10.022 -8.160 1.00100.00 C ATOM 89 O THR A 8 -4.866 -10.315 -9.348 1.00100.00 O ATOM 90 CB THR A 8 -2.728 -11.207 -7.184 1.00100.00 C ATOM 91 OG1 THR A 8 -2.356 -12.190 -6.243 1.00100.00 O ATOM 92 CG2 THR A 8 -2.035 -9.892 -6.832 1.00100.00 C ATOM 0 H THR A 8 -4.304 -12.995 -7.894 1.00100.00 H new ATOM 0 HA THR A 8 -4.489 -10.732 -6.152 1.00100.00 H new ATOM 0 HB THR A 8 -2.422 -11.500 -8.188 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.481 -13.080 -6.633 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.954 -10.033 -6.855 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.317 -9.127 -7.556 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.339 -9.576 -5.834 1.00100.00 H new ATOM 100 N MET A 9 -4.955 -8.784 -7.665 1.00100.00 N ATOM 101 CA MET A 9 -5.420 -7.710 -8.501 1.00100.00 C ATOM 102 C MET A 9 -4.226 -7.192 -9.255 1.00100.00 C ATOM 103 O MET A 9 -3.127 -7.064 -8.713 1.00100.00 O ATOM 104 CB MET A 9 -6.075 -6.555 -7.720 1.00100.00 C ATOM 105 CG MET A 9 -6.899 -5.707 -8.686 1.00100.00 C ATOM 106 SD MET A 9 -8.318 -6.601 -9.376 1.00100.00 S ATOM 107 CE MET A 9 -8.922 -5.357 -10.543 1.00100.00 C ATOM 0 H MET A 9 -4.833 -8.530 -6.685 1.00100.00 H new ATOM 0 HA MET A 9 -6.196 -8.100 -9.160 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.712 -6.949 -6.928 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.311 -5.944 -7.240 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.254 -4.816 -8.167 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.259 -5.368 -9.500 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.924 -5.627 -10.876 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.952 -4.383 -10.054 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.254 -5.311 -11.403 1.00100.00 H new ATOM 117 N GLU A 10 -4.407 -7.075 -10.583 1.00100.00 N ATOM 118 CA GLU A 10 -3.395 -6.648 -11.509 1.00100.00 C ATOM 119 C GLU A 10 -2.850 -5.265 -11.351 1.00100.00 C ATOM 120 O GLU A 10 -1.630 -5.104 -11.448 1.00100.00 O ATOM 121 CB GLU A 10 -3.840 -6.808 -12.970 1.00100.00 C ATOM 122 CG GLU A 10 -4.239 -8.257 -13.251 1.00100.00 C ATOM 123 CD GLU A 10 -4.634 -8.457 -14.710 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.133 -7.480 -15.309 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.433 -9.590 -15.199 1.00100.00 O ATOM 0 H GLU A 10 -5.297 -7.287 -11.035 1.00100.00 H new ATOM 0 HA GLU A 10 -2.581 -7.325 -11.249 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.682 -6.146 -13.175 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.031 -6.511 -13.638 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.408 -8.918 -13.004 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.072 -8.537 -12.606 1.00100.00 H new ATOM 132 N GLN A 11 -3.709 -4.248 -11.078 1.00100.00 N ATOM 133 CA GLN A 11 -3.200 -2.897 -10.970 1.00100.00 C ATOM 134 C GLN A 11 -2.384 -2.665 -9.736 1.00100.00 C ATOM 135 O GLN A 11 -2.503 -3.362 -8.724 1.00100.00 O ATOM 136 CB GLN A 11 -4.204 -1.716 -11.081 1.00100.00 C ATOM 137 CG GLN A 11 -5.295 -1.805 -10.015 1.00100.00 C ATOM 138 CD GLN A 11 -6.554 -2.474 -10.545 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.482 -3.470 -11.260 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.716 -1.920 -10.192 1.00100.00 N ATOM 0 H GLN A 11 -4.714 -4.351 -10.937 1.00100.00 H new ATOM 0 HA GLN A 11 -2.595 -2.873 -11.876 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.669 -0.772 -10.978 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.660 -1.717 -12.071 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.920 -2.365 -9.158 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.538 -0.803 -9.660 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.726 -1.092 -9.596 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.594 -2.324 -10.518 1.00100.00 H new ATOM 149 N GLU A 12 -1.524 -1.630 -9.834 1.00100.00 N ATOM 150 CA GLU A 12 -0.632 -1.236 -8.788 1.00100.00 C ATOM 151 C GLU A 12 -1.379 -0.382 -7.792 1.00100.00 C ATOM 152 O GLU A 12 -1.427 0.845 -7.872 1.00100.00 O ATOM 153 CB GLU A 12 0.620 -0.522 -9.347 1.00100.00 C ATOM 154 CG GLU A 12 1.334 -1.331 -10.427 1.00100.00 C ATOM 155 CD GLU A 12 2.679 -0.709 -10.781 1.00100.00 C ATOM 156 OE1 GLU A 12 2.785 0.533 -10.676 1.00100.00 O ATOM 157 OE2 GLU A 12 3.583 -1.489 -11.148 1.00100.00 O1- ATOM 0 H GLU A 12 -1.449 -1.050 -10.670 1.00100.00 H new ATOM 0 HA GLU A 12 -0.267 -2.126 -8.275 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.328 0.444 -9.758 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.314 -0.324 -8.530 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.483 -2.354 -10.080 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.709 -1.384 -11.318 1.00100.00 H new ATOM 164 N ILE A 13 -2.006 -1.087 -6.821 1.00100.00 N ATOM 165 CA ILE A 13 -2.813 -0.513 -5.772 1.00100.00 C ATOM 166 C ILE A 13 -2.149 0.009 -4.525 1.00100.00 C ATOM 167 O ILE A 13 -2.827 0.685 -3.747 1.00100.00 O ATOM 168 CB ILE A 13 -3.995 -1.391 -5.355 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.586 -2.771 -4.826 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.891 -1.616 -6.568 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.946 -2.703 -3.440 1.00100.00 C ATOM 0 H ILE A 13 -1.948 -2.104 -6.764 1.00100.00 H new ATOM 0 HA ILE A 13 -3.139 0.380 -6.305 1.00100.00 H new ATOM 0 HB ILE A 13 -4.500 -0.861 -4.547 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.464 -3.415 -4.785 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.886 -3.230 -5.523 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.738 -2.241 -6.284 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.255 -0.656 -6.934 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.322 -2.112 -7.354 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.676 -3.708 -3.114 1.00100.00 H new ATOM 0 HD12 ILE A 13 -2.051 -2.082 -3.483 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.654 -2.270 -2.733 1.00100.00 H new ATOM 183 N CYS A 14 -0.838 -0.260 -4.295 1.00100.00 N ATOM 184 CA CYS A 14 -0.155 0.215 -3.104 1.00100.00 C ATOM 185 C CYS A 14 -0.119 1.714 -3.121 1.00100.00 C ATOM 186 O CYS A 14 -0.050 2.348 -4.177 1.00100.00 O ATOM 187 CB CYS A 14 1.264 -0.348 -2.862 1.00100.00 C ATOM 188 SG CYS A 14 1.890 0.136 -1.233 1.00100.00 S ATOM 0 H CYS A 14 -0.250 -0.803 -4.928 1.00100.00 H new ATOM 0 HA CYS A 14 -0.740 -0.167 -2.268 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.245 -1.435 -2.939 1.00100.00 H new ATOM 0 HB3 CYS A 14 1.939 0.015 -3.637 1.00100.00 H new ATOM 0 HG CYS A 14 2.618 -0.824 -0.745 1.00100.00 H new ATOM 193 N ALA A 15 -0.177 2.294 -1.901 1.00100.00 N ATOM 194 CA ALA A 15 -0.223 3.713 -1.656 1.00100.00 C ATOM 195 C ALA A 15 0.966 4.443 -2.198 1.00100.00 C ATOM 196 O ALA A 15 0.801 5.516 -2.783 1.00100.00 O ATOM 197 CB ALA A 15 -0.307 4.030 -0.154 1.00100.00 C ATOM 0 H ALA A 15 -0.193 1.746 -1.041 1.00100.00 H new ATOM 0 HA ALA A 15 -1.121 4.052 -2.173 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.340 5.110 -0.011 1.00100.00 H new ATOM 0 HB2 ALA A 15 -1.209 3.581 0.263 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.568 3.623 0.353 1.00100.00 H new ATOM 203 N HIS A 16 2.176 3.864 -2.025 1.00100.00 N ATOM 204 CA HIS A 16 3.397 4.454 -2.502 1.00100.00 C ATOM 205 C HIS A 16 3.439 4.584 -4.001 1.00100.00 C ATOM 206 O HIS A 16 3.888 5.634 -4.464 1.00100.00 O ATOM 207 CB HIS A 16 4.645 3.706 -2.035 1.00100.00 C ATOM 208 CG HIS A 16 4.891 3.804 -0.558 1.00100.00 C ATOM 209 ND1 HIS A 16 4.149 3.205 0.433 1.00100.00 N ATOM 210 CD2 HIS A 16 5.914 4.491 0.040 1.00100.00 C ATOM 211 CE1 HIS A 16 4.720 3.532 1.607 1.00100.00 C ATOM 212 NE2 HIS A 16 5.797 4.313 1.420 1.00100.00 N ATOM 0 H HIS A 16 2.308 2.973 -1.547 1.00100.00 H new ATOM 0 HA HIS A 16 3.403 5.451 -2.063 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.552 2.655 -2.310 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.513 4.098 -2.565 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.675 5.067 -0.465 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.360 3.209 2.573 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.407 4.698 2.141 1.00100.00 H new ATOM 219 N SER A 17 2.975 3.530 -4.755 1.00100.00 N ATOM 220 CA SER A 17 2.944 3.505 -6.213 1.00100.00 C ATOM 221 C SER A 17 2.755 2.121 -6.779 1.00100.00 C ATOM 222 O SER A 17 1.893 1.921 -7.631 1.00100.00 O ATOM 223 CB SER A 17 4.219 4.030 -6.939 1.00100.00 C ATOM 224 OG SER A 17 5.366 3.345 -6.483 1.00100.00 O ATOM 0 H SER A 17 2.613 2.674 -4.334 1.00100.00 H new ATOM 0 HA SER A 17 2.101 4.171 -6.400 1.00100.00 H new ATOM 0 HB2 SER A 17 4.113 3.896 -8.016 1.00100.00 H new ATOM 0 HB3 SER A 17 4.332 5.099 -6.760 1.00100.00 H new ATOM 0 HG SER A 17 6.129 3.568 -7.056 1.00100.00 H new ATOM 230 N MET A 18 3.541 1.138 -6.281 1.00100.00 N ATOM 231 CA MET A 18 3.542 -0.225 -6.766 1.00100.00 C ATOM 232 C MET A 18 2.441 -1.114 -6.258 1.00100.00 C ATOM 233 O MET A 18 1.377 -0.603 -5.930 1.00100.00 O ATOM 234 CB MET A 18 4.920 -0.885 -6.587 1.00100.00 C ATOM 235 CG MET A 18 6.051 -0.039 -7.160 1.00100.00 C ATOM 236 SD MET A 18 7.645 -0.894 -7.110 1.00100.00 S ATOM 237 CE MET A 18 8.672 0.369 -7.896 1.00100.00 C ATOM 0 H MET A 18 4.198 1.293 -5.516 1.00100.00 H new ATOM 0 HA MET A 18 3.323 -0.120 -7.829 1.00100.00 H new ATOM 0 HB2 MET A 18 5.101 -1.058 -5.526 1.00100.00 H new ATOM 0 HB3 MET A 18 4.918 -1.861 -7.073 1.00100.00 H new ATOM 0 HG2 MET A 18 5.816 0.226 -8.191 1.00100.00 H new ATOM 0 HG3 MET A 18 6.124 0.893 -6.600 1.00100.00 H new ATOM 0 HE1 MET A 18 9.702 0.016 -7.954 1.00100.00 H new ATOM 0 HE2 MET A 18 8.299 0.567 -8.901 1.00100.00 H new ATOM 0 HE3 MET A 18 8.635 1.286 -7.308 1.00100.00 H new ATOM 247 N THR A 19 2.463 -2.398 -6.708 1.00100.00 N ATOM 248 CA THR A 19 1.500 -3.429 -6.376 1.00100.00 C ATOM 249 C THR A 19 1.711 -3.869 -4.933 1.00100.00 C ATOM 250 O THR A 19 2.735 -3.565 -4.320 1.00100.00 O ATOM 251 CB THR A 19 1.643 -4.609 -7.351 1.00100.00 C ATOM 252 OG1 THR A 19 1.475 -4.147 -8.669 1.00100.00 O ATOM 253 CG2 THR A 19 0.598 -5.698 -7.105 1.00100.00 C ATOM 0 H THR A 19 3.192 -2.735 -7.337 1.00100.00 H new ATOM 0 HA THR A 19 0.487 -3.039 -6.471 1.00100.00 H new ATOM 0 HB THR A 19 2.634 -5.034 -7.194 1.00100.00 H new ATOM 0 HG1 THR A 19 1.567 -4.897 -9.293 1.00100.00 H new ATOM 0 HG21 THR A 19 0.742 -6.509 -7.819 1.00100.00 H new ATOM 0 HG22 THR A 19 0.706 -6.084 -6.091 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.400 -5.279 -7.229 1.00100.00 H new ATOM 261 N PHE A 20 0.716 -4.587 -4.354 1.00100.00 N ATOM 262 CA PHE A 20 0.705 -5.128 -3.015 1.00100.00 C ATOM 263 C PHE A 20 1.874 -6.089 -2.887 1.00100.00 C ATOM 264 O PHE A 20 2.578 -6.090 -1.879 1.00100.00 O ATOM 265 CB PHE A 20 -0.642 -5.872 -2.832 1.00100.00 C ATOM 266 CG PHE A 20 -0.774 -6.512 -1.472 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.213 -5.751 -0.379 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.438 -7.862 -1.296 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.321 -6.342 0.886 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.546 -8.453 -0.031 1.00100.00 C ATOM 271 CZ PHE A 20 -0.988 -7.692 1.061 1.00100.00 C ATOM 0 H PHE A 20 -0.143 -4.805 -4.860 1.00100.00 H new ATOM 0 HA PHE A 20 0.801 -4.353 -2.254 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.463 -5.170 -2.980 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.736 -6.639 -3.601 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.468 -4.710 -0.513 1.00100.00 H new ATOM 0 HD2 PHE A 20 -0.096 -8.447 -2.137 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.661 -5.757 1.728 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.289 -9.493 0.103 1.00100.00 H new ATOM 0 HZ PHE A 20 -1.072 -8.147 2.037 1.00100.00 H new ATOM 281 N GLU A 21 2.094 -6.919 -3.927 1.00100.00 N ATOM 282 CA GLU A 21 3.166 -7.876 -4.032 1.00100.00 C ATOM 283 C GLU A 21 4.507 -7.166 -4.067 1.00100.00 C ATOM 284 O GLU A 21 5.472 -7.610 -3.449 1.00100.00 O ATOM 285 CB GLU A 21 2.957 -8.718 -5.303 1.00100.00 C ATOM 286 CG GLU A 21 3.977 -9.852 -5.390 1.00100.00 C ATOM 287 CD GLU A 21 3.681 -10.784 -6.562 1.00100.00 C ATOM 288 OE1 GLU A 21 2.729 -10.485 -7.316 1.00100.00 O ATOM 289 OE2 GLU A 21 4.415 -11.789 -6.680 1.00100.00 O1- ATOM 0 H GLU A 21 1.487 -6.924 -4.747 1.00100.00 H new ATOM 0 HA GLU A 21 3.162 -8.532 -3.161 1.00100.00 H new ATOM 0 HB2 GLU A 21 1.949 -9.132 -5.306 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.043 -8.080 -6.183 1.00100.00 H new ATOM 0 HG2 GLU A 21 4.978 -9.434 -5.500 1.00100.00 H new ATOM 0 HG3 GLU A 21 3.969 -10.421 -4.461 1.00100.00 H new ATOM 296 N GLU A 22 4.560 -6.014 -4.775 1.00100.00 N ATOM 297 CA GLU A 22 5.722 -5.178 -4.973 1.00100.00 C ATOM 298 C GLU A 22 5.845 -4.108 -3.912 1.00100.00 C ATOM 299 O GLU A 22 6.676 -3.202 -4.036 1.00100.00 O ATOM 300 CB GLU A 22 5.695 -4.505 -6.360 1.00100.00 C ATOM 301 CG GLU A 22 5.676 -5.537 -7.484 1.00100.00 C ATOM 302 CD GLU A 22 6.965 -6.348 -7.502 1.00100.00 C ATOM 303 OE1 GLU A 22 8.005 -5.745 -7.845 1.00100.00 O ATOM 304 OE2 GLU A 22 6.890 -7.551 -7.174 1.00100.00 O1- ATOM 0 H GLU A 22 3.734 -5.639 -5.242 1.00100.00 H new ATOM 0 HA GLU A 22 6.586 -5.838 -4.902 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.816 -3.865 -6.438 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.568 -3.862 -6.470 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.824 -6.204 -7.355 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.545 -5.034 -8.442 1.00100.00 H new ATOM 311 N CYS A 23 5.053 -4.213 -2.817 1.00100.00 N ATOM 312 CA CYS A 23 5.041 -3.272 -1.726 1.00100.00 C ATOM 313 C CYS A 23 6.388 -3.120 -1.053 1.00100.00 C ATOM 314 O CYS A 23 6.707 -1.972 -0.768 1.00100.00 O ATOM 315 CB CYS A 23 3.973 -3.573 -0.653 1.00100.00 C ATOM 316 SG CYS A 23 3.937 -2.230 0.561 1.00100.00 S ATOM 0 H CYS A 23 4.397 -4.983 -2.688 1.00100.00 H new ATOM 0 HA CYS A 23 4.781 -2.330 -2.208 1.00100.00 H new ATOM 0 HB2 CYS A 23 2.994 -3.681 -1.120 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.196 -4.518 -0.158 1.00100.00 H new ATOM 0 HG CYS A 23 5.067 -1.587 0.531 1.00100.00 H new ATOM 322 N PRO A 24 7.233 -4.173 -0.769 1.00100.00 N ATOM 323 CA PRO A 24 8.529 -3.945 -0.165 1.00100.00 C ATOM 324 C PRO A 24 9.410 -3.049 -1.008 1.00100.00 C ATOM 325 O PRO A 24 10.182 -2.289 -0.423 1.00100.00 O ATOM 326 CB PRO A 24 9.115 -5.329 0.137 1.00100.00 C ATOM 327 CG PRO A 24 8.412 -6.215 -0.893 1.00100.00 C ATOM 328 CD PRO A 24 7.029 -5.581 -1.040 1.00100.00 C ATOM 0 HA PRO A 24 8.446 -3.384 0.766 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.198 -5.347 0.016 1.00100.00 H new ATOM 0 HB3 PRO A 24 8.903 -5.646 1.158 1.00100.00 H new ATOM 0 HG2 PRO A 24 8.949 -6.228 -1.842 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.344 -7.248 -0.551 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.628 -5.736 -2.041 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.317 -6.019 -0.340 1.00100.00 H new ATOM 336 N LYS A 25 9.304 -3.126 -2.360 1.00100.00 N ATOM 337 CA LYS A 25 10.058 -2.306 -3.280 1.00100.00 C ATOM 338 C LYS A 25 9.657 -0.859 -3.225 1.00100.00 C ATOM 339 O LYS A 25 10.458 0.005 -3.578 1.00100.00 O ATOM 340 CB LYS A 25 10.017 -2.763 -4.748 1.00100.00 C ATOM 341 CG LYS A 25 10.543 -4.193 -4.867 1.00100.00 C ATOM 342 CD LYS A 25 10.676 -4.585 -6.338 1.00100.00 C ATOM 343 CE LYS A 25 11.746 -3.747 -7.040 1.00100.00 C ATOM 344 NZ LYS A 25 13.068 -3.938 -6.422 1.00100.00 N1+ ATOM 0 H LYS A 25 8.674 -3.779 -2.826 1.00100.00 H new ATOM 0 HA LYS A 25 11.082 -2.429 -2.927 1.00100.00 H new ATOM 0 HB2 LYS A 25 8.996 -2.710 -5.125 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.619 -2.093 -5.363 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.511 -4.275 -4.372 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.867 -4.881 -4.359 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.931 -5.642 -6.414 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.718 -4.451 -6.841 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.792 -4.022 -8.094 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.471 -2.693 -6.997 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.807 -3.601 -7.072 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.117 -3.400 -5.533 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.216 -4.948 -6.224 1.00100.00 H new ATOM 358 N CYS A 26 8.412 -0.571 -2.764 1.00100.00 N ATOM 359 CA CYS A 26 7.865 0.758 -2.628 1.00100.00 C ATOM 360 C CYS A 26 8.691 1.569 -1.664 1.00100.00 C ATOM 361 O CYS A 26 8.857 2.775 -1.861 1.00100.00 O ATOM 362 CB CYS A 26 6.414 0.751 -2.139 1.00100.00 C ATOM 363 SG CYS A 26 5.285 0.086 -3.378 1.00100.00 S ATOM 0 H CYS A 26 7.759 -1.298 -2.473 1.00100.00 H new ATOM 0 HA CYS A 26 7.888 1.203 -3.623 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.342 0.158 -1.227 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.113 1.767 -1.883 1.00100.00 H new ATOM 0 HG CYS A 26 4.069 0.121 -2.920 1.00100.00 H new ATOM 369 N SER A 27 9.218 0.913 -0.599 1.00100.00 N ATOM 370 CA SER A 27 10.047 1.514 0.419 1.00100.00 C ATOM 371 C SER A 27 11.303 2.073 -0.186 1.00100.00 C ATOM 372 O SER A 27 11.773 3.122 0.262 1.00100.00 O ATOM 373 CB SER A 27 10.445 0.518 1.514 1.00100.00 C ATOM 374 OG SER A 27 9.287 0.002 2.129 1.00100.00 O ATOM 0 H SER A 27 9.058 -0.082 -0.441 1.00100.00 H new ATOM 0 HA SER A 27 9.450 2.308 0.869 1.00100.00 H new ATOM 0 HB2 SER A 27 11.033 -0.293 1.085 1.00100.00 H new ATOM 0 HB3 SER A 27 11.074 1.010 2.256 1.00100.00 H new ATOM 0 HG SER A 27 9.544 -0.636 2.827 1.00100.00 H new ATOM 380 N ALA A 28 11.885 1.358 -1.186 1.00100.00 N ATOM 381 CA ALA A 28 13.065 1.795 -1.889 1.00100.00 C ATOM 382 C ALA A 28 12.673 3.010 -2.683 1.00100.00 C ATOM 383 O ALA A 28 11.593 3.062 -3.276 1.00100.00 O ATOM 384 CB ALA A 28 13.631 0.743 -2.854 1.00100.00 C ATOM 0 H ALA A 28 11.526 0.460 -1.510 1.00100.00 H new ATOM 0 HA ALA A 28 13.846 1.993 -1.154 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.518 1.141 -3.347 1.00100.00 H new ATOM 0 HB2 ALA A 28 13.898 -0.155 -2.297 1.00100.00 H new ATOM 0 HB3 ALA A 28 12.879 0.495 -3.603 1.00100.00 H new ATOM 390 N LEU A 29 13.559 4.014 -2.704 1.00100.00 N ATOM 391 CA LEU A 29 13.329 5.257 -3.380 1.00100.00 C ATOM 392 C LEU A 29 13.879 5.320 -4.775 1.00100.00 C ATOM 393 O LEU A 29 13.893 6.400 -5.372 1.00100.00 O ATOM 394 CB LEU A 29 13.896 6.448 -2.586 1.00100.00 C ATOM 395 CG LEU A 29 12.829 7.069 -1.681 1.00100.00 C ATOM 396 CD1 LEU A 29 12.403 6.114 -0.570 1.00100.00 C ATOM 397 CD2 LEU A 29 13.369 8.363 -1.072 1.00100.00 C ATOM 0 H LEU A 29 14.465 3.965 -2.238 1.00100.00 H new ATOM 0 HA LEU A 29 12.243 5.320 -3.450 1.00100.00 H new ATOM 0 HB2 LEU A 29 14.741 6.117 -1.982 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.274 7.202 -3.277 1.00100.00 H new ATOM 0 HG LEU A 29 11.951 7.280 -2.291 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.645 6.592 0.050 1.00100.00 H new ATOM 0 HD12 LEU A 29 11.992 5.205 -1.009 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.267 5.861 0.044 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.610 8.806 -0.427 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.261 8.144 -0.485 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.622 9.062 -1.869 1.00100.00 H new ATOM 409 N GLN A 30 14.240 4.152 -5.352 1.00100.00 N ATOM 410 CA GLN A 30 14.807 4.002 -6.671 1.00100.00 C ATOM 411 C GLN A 30 13.863 4.514 -7.723 1.00100.00 C ATOM 412 O GLN A 30 14.284 5.201 -8.652 1.00100.00 O ATOM 413 CB GLN A 30 15.069 2.522 -6.988 1.00100.00 C ATOM 414 CG GLN A 30 16.072 1.940 -5.993 1.00100.00 C ATOM 415 CD GLN A 30 16.338 0.466 -6.273 1.00100.00 C ATOM 416 OE1 GLN A 30 15.458 -0.252 -6.742 1.00100.00 O ATOM 417 NE2 GLN A 30 17.560 0.015 -5.982 1.00100.00 N ATOM 0 H GLN A 30 14.131 3.259 -4.872 1.00100.00 H new ATOM 0 HA GLN A 30 15.737 4.570 -6.679 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.135 1.962 -6.944 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.453 2.422 -8.003 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.007 2.497 -6.048 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.691 2.057 -4.979 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.259 0.649 -5.594 1.00100.00 H new ATOM 0 HE22 GLN A 30 17.795 -0.964 -6.148 1.00100.00 H new ATOM 426 N TYR A 31 12.559 4.201 -7.569 1.00100.00 N ATOM 427 CA TYR A 31 11.499 4.598 -8.453 1.00100.00 C ATOM 428 C TYR A 31 11.367 6.097 -8.498 1.00100.00 C ATOM 429 O TYR A 31 11.224 6.653 -9.584 1.00100.00 O ATOM 430 CB TYR A 31 10.165 3.946 -7.995 1.00100.00 C ATOM 431 CG TYR A 31 8.957 4.426 -8.765 1.00100.00 C ATOM 432 CD1 TYR A 31 8.743 3.988 -10.079 1.00100.00 C ATOM 433 CD2 TYR A 31 8.050 5.309 -8.161 1.00100.00 C ATOM 434 CE1 TYR A 31 7.624 4.434 -10.794 1.00100.00 C ATOM 435 CE2 TYR A 31 6.927 5.756 -8.867 1.00100.00 C ATOM 436 CZ TYR A 31 6.709 5.322 -10.190 1.00100.00 C ATOM 437 OH TYR A 31 5.617 5.755 -10.881 1.00100.00 O ATOM 0 H TYR A 31 12.226 3.640 -6.785 1.00100.00 H new ATOM 0 HA TYR A 31 11.737 4.255 -9.460 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.245 2.864 -8.100 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.015 4.153 -6.935 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.442 3.306 -10.541 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.218 5.645 -7.149 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.462 4.098 -11.808 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.228 6.433 -8.398 1.00100.00 H new ATOM 0 HH TYR A 31 5.092 6.360 -10.317 1.00100.00 H new ATOM 447 N ARG A 32 11.435 6.766 -7.322 1.00100.00 N ATOM 448 CA ARG A 32 11.309 8.199 -7.191 1.00100.00 C ATOM 449 C ARG A 32 12.423 8.919 -7.896 1.00100.00 C ATOM 450 O ARG A 32 12.192 9.946 -8.533 1.00100.00 O ATOM 451 CB ARG A 32 11.276 8.675 -5.730 1.00100.00 C ATOM 452 CG ARG A 32 10.032 8.082 -5.071 1.00100.00 C ATOM 453 CD ARG A 32 9.789 8.689 -3.693 1.00100.00 C ATOM 454 NE ARG A 32 8.699 7.979 -3.019 1.00100.00 N ATOM 455 CZ ARG A 32 8.311 8.215 -1.759 1.00100.00 C ATOM 456 NH1 ARG A 32 8.902 9.175 -1.033 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.327 7.482 -1.222 1.00100.00 N ATOM 0 H ARG A 32 11.583 6.294 -6.430 1.00100.00 H new ATOM 0 HA ARG A 32 10.352 8.440 -7.654 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.176 8.355 -5.204 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.250 9.764 -5.684 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.163 8.258 -5.706 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.147 7.002 -4.979 1.00100.00 H new ATOM 0 HD2 ARG A 32 10.698 8.629 -3.095 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.540 9.746 -3.791 1.00100.00 H new ATOM 0 HE ARG A 32 8.203 7.258 -3.543 1.00100.00 H new ATOM 0 HH11 ARG A 32 9.653 9.732 -1.440 1.00100.00 H new ATOM 0 HH12 ARG A 32 8.600 9.348 -0.074 1.00100.00 H new ATOM 0 HH21 ARG A 32 6.878 6.750 -1.772 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.026 7.656 -0.263 1.00100.00 H new ATOM 471 N ASN A 33 13.655 8.375 -7.794 1.00100.00 N ATOM 472 CA ASN A 33 14.837 8.923 -8.414 1.00100.00 C ATOM 473 C ASN A 33 14.716 8.836 -9.913 1.00100.00 C ATOM 474 O ASN A 33 14.082 7.926 -10.452 1.00100.00 O ATOM 475 CB ASN A 33 16.119 8.148 -8.030 1.00100.00 C ATOM 476 CG ASN A 33 16.392 8.251 -6.533 1.00100.00 C ATOM 477 OD1 ASN A 33 16.074 9.261 -5.908 1.00100.00 O ATOM 478 ND2 ASN A 33 16.983 7.201 -5.959 1.00100.00 N ATOM 0 H ASN A 33 13.838 7.524 -7.262 1.00100.00 H new ATOM 0 HA ASN A 33 14.914 9.953 -8.066 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.014 7.101 -8.313 1.00100.00 H new ATOM 0 HB3 ASN A 33 16.968 8.544 -8.586 1.00100.00 H new ATOM 0 HD21 ASN A 33 17.189 7.215 -4.960 1.00100.00 H new ATOM 0 HD22 ASN A 33 17.228 6.385 -6.519 1.00100.00 H new ATOM 485 N GLY A 34 15.340 9.811 -10.614 1.00100.00 N ATOM 486 CA GLY A 34 15.317 9.875 -12.052 1.00100.00 C ATOM 487 C GLY A 34 14.198 10.716 -12.596 1.00100.00 C ATOM 488 O GLY A 34 14.020 10.759 -13.815 1.00100.00 O ATOM 0 H GLY A 34 15.868 10.566 -10.176 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.267 10.276 -12.405 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.229 8.865 -12.451 1.00100.00 H new ATOM 492 N PHE A 35 13.411 11.380 -11.715 1.00100.00 N ATOM 493 CA PHE A 35 12.342 12.242 -12.137 1.00100.00 C ATOM 494 C PHE A 35 12.779 13.669 -12.098 1.00100.00 C ATOM 495 O PHE A 35 13.551 14.081 -11.229 1.00100.00 O ATOM 496 CB PHE A 35 10.992 12.075 -11.412 1.00100.00 C ATOM 497 CG PHE A 35 10.236 10.863 -11.908 1.00100.00 C ATOM 498 CD1 PHE A 35 9.442 10.973 -13.058 1.00100.00 C ATOM 499 CD2 PHE A 35 10.350 9.629 -11.254 1.00100.00 C ATOM 500 CE1 PHE A 35 8.755 9.854 -13.548 1.00100.00 C ATOM 501 CE2 PHE A 35 9.660 8.511 -11.741 1.00100.00 C ATOM 502 CZ PHE A 35 8.863 8.622 -12.887 1.00100.00 C ATOM 0 H PHE A 35 13.519 11.317 -10.703 1.00100.00 H new ATOM 0 HA PHE A 35 12.134 11.922 -13.158 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.164 11.983 -10.340 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.386 12.968 -11.562 1.00100.00 H new ATOM 0 HD1 PHE A 35 9.360 11.922 -13.567 1.00100.00 H new ATOM 0 HD2 PHE A 35 10.970 9.540 -10.374 1.00100.00 H new ATOM 0 HE1 PHE A 35 8.143 9.940 -14.434 1.00100.00 H new ATOM 0 HE2 PHE A 35 9.743 7.562 -11.232 1.00100.00 H new ATOM 0 HZ PHE A 35 8.332 7.759 -13.262 1.00100.00 H new ATOM 512 N TYR A 36 12.267 14.442 -13.082 1.00100.00 N ATOM 513 CA TYR A 36 12.574 15.831 -13.294 1.00100.00 C ATOM 514 C TYR A 36 12.228 16.720 -12.130 1.00100.00 C ATOM 515 O TYR A 36 13.092 17.490 -11.702 1.00100.00 O ATOM 516 CB TYR A 36 11.877 16.259 -14.618 1.00100.00 C ATOM 517 CG TYR A 36 11.942 17.740 -14.906 1.00100.00 C ATOM 518 CD1 TYR A 36 13.179 18.399 -14.959 1.00100.00 C ATOM 519 CD2 TYR A 36 10.755 18.453 -15.124 1.00100.00 C ATOM 520 CE1 TYR A 36 13.232 19.771 -15.238 1.00100.00 C ATOM 521 CE2 TYR A 36 10.800 19.824 -15.406 1.00100.00 C ATOM 522 CZ TYR A 36 12.040 20.490 -15.466 1.00100.00 C ATOM 523 OH TYR A 36 12.079 21.825 -15.740 1.00100.00 O ATOM 0 H TYR A 36 11.604 14.078 -13.766 1.00100.00 H new ATOM 0 HA TYR A 36 13.654 15.952 -13.379 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.336 15.719 -15.447 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.831 15.954 -14.579 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.092 17.848 -14.785 1.00100.00 H new ATOM 0 HD2 TYR A 36 9.804 17.944 -15.074 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.185 20.278 -15.278 1.00100.00 H new ATOM 0 HE2 TYR A 36 9.884 20.371 -15.577 1.00100.00 H new ATOM 0 HH TYR A 36 11.167 22.159 -15.871 1.00100.00 H new ATOM 533 N LEU A 37 10.997 16.619 -11.576 1.00100.00 N ATOM 534 CA LEU A 37 10.630 17.428 -10.441 1.00100.00 C ATOM 535 C LEU A 37 10.003 16.590 -9.388 1.00100.00 C ATOM 536 O LEU A 37 8.995 15.926 -9.630 1.00100.00 O ATOM 537 CB LEU A 37 9.631 18.576 -10.721 1.00100.00 C ATOM 538 CG LEU A 37 10.183 19.635 -11.675 1.00100.00 C ATOM 539 CD1 LEU A 37 9.062 20.615 -12.022 1.00100.00 C ATOM 540 CD2 LEU A 37 11.332 20.406 -11.024 1.00100.00 C ATOM 0 H LEU A 37 10.266 15.989 -11.907 1.00100.00 H new ATOM 0 HA LEU A 37 11.577 17.875 -10.139 1.00100.00 H new ATOM 0 HB2 LEU A 37 8.716 18.158 -11.142 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.360 19.051 -9.778 1.00100.00 H new ATOM 0 HG LEU A 37 10.557 19.142 -12.572 1.00100.00 H new ATOM 0 HD11 LEU A 37 9.442 21.377 -12.703 1.00100.00 H new ATOM 0 HD12 LEU A 37 8.244 20.077 -12.500 1.00100.00 H new ATOM 0 HD13 LEU A 37 8.700 21.091 -11.111 1.00100.00 H new ATOM 0 HD21 LEU A 37 11.709 21.154 -11.721 1.00100.00 H new ATOM 0 HD22 LEU A 37 10.973 20.900 -10.121 1.00100.00 H new ATOM 0 HD23 LEU A 37 12.134 19.714 -10.765 1.00100.00 H new ATOM 552 N LEU A 38 10.614 16.616 -8.186 1.00100.00 N ATOM 553 CA LEU A 38 10.141 15.913 -7.022 1.00100.00 C ATOM 554 C LEU A 38 8.853 16.505 -6.536 1.00100.00 C ATOM 555 O LEU A 38 7.956 15.784 -6.105 1.00100.00 O ATOM 556 CB LEU A 38 11.174 15.857 -5.888 1.00100.00 C ATOM 557 CG LEU A 38 12.407 15.026 -6.254 1.00100.00 C ATOM 558 CD1 LEU A 38 13.410 15.116 -5.104 1.00100.00 C ATOM 559 CD2 LEU A 38 12.038 13.557 -6.475 1.00100.00 C ATOM 0 H LEU A 38 11.469 17.145 -8.015 1.00100.00 H new ATOM 0 HA LEU A 38 9.968 14.882 -7.332 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.486 16.870 -5.635 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.708 15.435 -4.997 1.00100.00 H new ATOM 0 HG LEU A 38 12.833 15.417 -7.178 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.296 14.529 -5.347 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.695 16.157 -4.950 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.955 14.726 -4.193 1.00100.00 H new ATOM 0 HD21 LEU A 38 12.933 12.992 -6.733 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.603 13.150 -5.562 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.315 13.482 -7.287 1.00100.00 H new ATOM 571 N LYS A 39 8.754 17.850 -6.624 1.00100.00 N ATOM 572 CA LYS A 39 7.630 18.654 -6.221 1.00100.00 C ATOM 573 C LYS A 39 6.382 18.341 -7.004 1.00100.00 C ATOM 574 O LYS A 39 5.286 18.573 -6.491 1.00100.00 O ATOM 575 CB LYS A 39 7.918 20.160 -6.405 1.00100.00 C ATOM 576 CG LYS A 39 9.056 20.629 -5.501 1.00100.00 C ATOM 577 CD LYS A 39 9.265 22.128 -5.711 1.00100.00 C ATOM 578 CE LYS A 39 10.362 22.633 -4.779 1.00100.00 C ATOM 579 NZ LYS A 39 10.587 24.075 -4.965 1.00100.00 N1+ ATOM 0 H LYS A 39 9.513 18.415 -7.004 1.00100.00 H new ATOM 0 HA LYS A 39 7.471 18.415 -5.169 1.00100.00 H new ATOM 0 HB2 LYS A 39 8.174 20.358 -7.446 1.00100.00 H new ATOM 0 HB3 LYS A 39 7.017 20.733 -6.184 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.818 20.424 -4.457 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.971 20.084 -5.733 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.537 22.325 -6.748 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.336 22.664 -5.518 1.00100.00 H new ATOM 0 HE2 LYS A 39 10.085 22.435 -3.744 1.00100.00 H new ATOM 0 HE3 LYS A 39 11.287 22.089 -4.971 1.00100.00 H new ATOM 0 HZ1 LYS A 39 11.608 24.273 -4.940 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.199 24.371 -5.884 1.00100.00 H new ATOM 0 HZ3 LYS A 39 10.113 24.601 -4.203 1.00100.00 H new ATOM 593 N TYR A 40 6.516 17.798 -8.249 1.00100.00 N ATOM 594 CA TYR A 40 5.392 17.487 -9.105 1.00100.00 C ATOM 595 C TYR A 40 4.504 16.452 -8.455 1.00100.00 C ATOM 596 O TYR A 40 4.976 15.439 -7.935 1.00100.00 O ATOM 597 CB TYR A 40 5.843 17.072 -10.535 1.00100.00 C ATOM 598 CG TYR A 40 4.697 16.867 -11.498 1.00100.00 C ATOM 599 CD1 TYR A 40 4.039 17.976 -12.043 1.00100.00 C ATOM 600 CD2 TYR A 40 4.304 15.571 -11.858 1.00100.00 C ATOM 601 CE1 TYR A 40 2.984 17.801 -12.949 1.00100.00 C ATOM 602 CE2 TYR A 40 3.249 15.383 -12.762 1.00100.00 C ATOM 603 CZ TYR A 40 2.585 16.498 -13.313 1.00100.00 C ATOM 604 OH TYR A 40 1.564 16.320 -14.200 1.00100.00 O ATOM 0 H TYR A 40 7.420 17.573 -8.664 1.00100.00 H new ATOM 0 HA TYR A 40 4.802 18.395 -9.232 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.508 17.838 -10.933 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.421 16.150 -10.471 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.346 18.973 -11.763 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.814 14.716 -11.439 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.479 18.660 -13.366 1.00100.00 H new ATOM 0 HE2 TYR A 40 2.945 14.384 -13.036 1.00100.00 H new ATOM 0 HH TYR A 40 1.417 15.361 -14.342 1.00100.00 H new ATOM 614 N ASP A 41 3.175 16.727 -8.505 1.00100.00 N ATOM 615 CA ASP A 41 2.168 15.897 -7.898 1.00100.00 C ATOM 616 C ASP A 41 1.884 14.699 -8.750 1.00100.00 C ATOM 617 O ASP A 41 1.480 14.791 -9.912 1.00100.00 O ATOM 618 CB ASP A 41 0.853 16.682 -7.640 1.00100.00 C ATOM 619 CG ASP A 41 -0.150 15.830 -6.872 1.00100.00 C ATOM 620 OD1 ASP A 41 -0.686 14.884 -7.490 1.00100.00 O ATOM 621 OD2 ASP A 41 -0.359 16.137 -5.678 1.00100.00 O1- ATOM 0 H ASP A 41 2.795 17.546 -8.979 1.00100.00 H new ATOM 0 HA ASP A 41 2.561 15.568 -6.936 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.071 17.589 -7.077 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.419 16.993 -8.590 1.00100.00 H new ATOM 626 N GLU A 42 2.093 13.537 -8.111 1.00100.00 N ATOM 627 CA GLU A 42 1.915 12.215 -8.646 1.00100.00 C ATOM 628 C GLU A 42 1.521 11.306 -7.513 1.00100.00 C ATOM 629 O GLU A 42 1.330 11.746 -6.376 1.00100.00 O ATOM 630 CB GLU A 42 3.184 11.626 -9.312 1.00100.00 C ATOM 631 CG GLU A 42 3.481 12.301 -10.648 1.00100.00 C ATOM 632 CD GLU A 42 2.574 11.756 -11.744 1.00100.00 C ATOM 633 OE1 GLU A 42 1.408 12.203 -11.801 1.00100.00 O1- ATOM 634 OE2 GLU A 42 3.066 10.893 -12.502 1.00100.00 O ATOM 0 H GLU A 42 2.412 13.516 -7.142 1.00100.00 H new ATOM 0 HA GLU A 42 1.154 12.287 -9.423 1.00100.00 H new ATOM 0 HB2 GLU A 42 4.037 11.749 -8.644 1.00100.00 H new ATOM 0 HB3 GLU A 42 3.051 10.555 -9.466 1.00100.00 H new ATOM 0 HG2 GLU A 42 3.340 13.378 -10.556 1.00100.00 H new ATOM 0 HG3 GLU A 42 4.524 12.138 -10.919 1.00100.00 H new ATOM 641 N GLU A 43 1.352 9.999 -7.830 1.00100.00 N ATOM 642 CA GLU A 43 0.980 8.972 -6.892 1.00100.00 C ATOM 643 C GLU A 43 2.028 8.835 -5.811 1.00100.00 C ATOM 644 O GLU A 43 1.677 8.737 -4.633 1.00100.00 O ATOM 645 CB GLU A 43 0.795 7.611 -7.606 1.00100.00 C ATOM 646 CG GLU A 43 0.421 6.504 -6.620 1.00100.00 C ATOM 647 CD GLU A 43 -0.873 6.831 -5.886 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.907 6.938 -6.580 1.00100.00 O ATOM 649 OE2 GLU A 43 -0.803 6.969 -4.646 1.00100.00 O1- ATOM 0 H GLU A 43 1.480 9.645 -8.778 1.00100.00 H new ATOM 0 HA GLU A 43 0.033 9.264 -6.439 1.00100.00 H new ATOM 0 HB2 GLU A 43 0.018 7.700 -8.365 1.00100.00 H new ATOM 0 HB3 GLU A 43 1.716 7.343 -8.123 1.00100.00 H new ATOM 0 HG2 GLU A 43 0.310 5.560 -7.154 1.00100.00 H new ATOM 0 HG3 GLU A 43 1.227 6.369 -5.899 1.00100.00 H new ATOM 656 N TRP A 44 3.332 8.871 -6.191 1.00100.00 N ATOM 657 CA TRP A 44 4.417 8.762 -5.241 1.00100.00 C ATOM 658 C TRP A 44 4.477 9.982 -4.363 1.00100.00 C ATOM 659 O TRP A 44 4.040 11.068 -4.753 1.00100.00 O ATOM 660 CB TRP A 44 5.830 8.516 -5.846 1.00100.00 C ATOM 661 CG TRP A 44 6.424 9.631 -6.641 1.00100.00 C ATOM 662 CD1 TRP A 44 7.170 10.640 -6.142 1.00100.00 C ATOM 663 CD2 TRP A 44 6.385 9.840 -8.083 1.00100.00 C ATOM 664 NE1 TRP A 44 7.594 11.456 -7.170 1.00100.00 N ATOM 665 CE2 TRP A 44 7.144 11.002 -8.393 1.00100.00 C ATOM 666 CE3 TRP A 44 5.792 9.157 -9.162 1.00100.00 C ATOM 667 CZ2 TRP A 44 7.314 11.458 -9.704 1.00100.00 C ATOM 668 CZ3 TRP A 44 5.956 9.606 -10.480 1.00100.00 C ATOM 669 CH2 TRP A 44 6.716 10.750 -10.755 1.00100.00 C ATOM 0 H TRP A 44 3.635 8.976 -7.159 1.00100.00 H new ATOM 0 HA TRP A 44 4.174 7.865 -4.672 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.513 8.279 -5.030 1.00100.00 H new ATOM 0 HB3 TRP A 44 5.778 7.634 -6.484 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.400 10.786 -5.097 1.00100.00 H new ATOM 0 HE1 TRP A 44 8.168 12.290 -7.042 1.00100.00 H new ATOM 0 HE3 TRP A 44 5.201 8.273 -8.971 1.00100.00 H new ATOM 0 HZ2 TRP A 44 7.898 12.344 -9.904 1.00100.00 H new ATOM 0 HZ3 TRP A 44 5.492 9.065 -11.291 1.00100.00 H new ATOM 0 HH2 TRP A 44 6.841 11.085 -11.774 1.00100.00 H new ATOM 680 N TYR A 45 5.036 9.805 -3.143 1.00100.00 N ATOM 681 CA TYR A 45 5.148 10.883 -2.193 1.00100.00 C ATOM 682 C TYR A 45 6.308 11.779 -2.567 1.00100.00 C ATOM 683 O TYR A 45 7.434 11.293 -2.710 1.00100.00 O ATOM 684 CB TYR A 45 5.353 10.400 -0.737 1.00100.00 C ATOM 685 CG TYR A 45 4.151 9.659 -0.207 1.00100.00 C ATOM 686 CD1 TYR A 45 3.977 8.299 -0.500 1.00100.00 C ATOM 687 CD2 TYR A 45 3.192 10.345 0.551 1.00100.00 C ATOM 688 CE1 TYR A 45 2.845 7.619 -0.030 1.00100.00 C ATOM 689 CE2 TYR A 45 2.058 9.672 1.028 1.00100.00 C ATOM 690 CZ TYR A 45 1.881 8.303 0.738 1.00100.00 C ATOM 691 OH TYR A 45 0.780 7.644 1.198 1.00100.00 O ATOM 0 H TYR A 45 5.411 8.915 -2.814 1.00100.00 H new ATOM 0 HA TYR A 45 4.201 11.422 -2.233 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.227 9.750 -0.691 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.560 11.258 -0.097 1.00100.00 H new ATOM 0 HD1 TYR A 45 4.716 7.775 -1.088 1.00100.00 H new ATOM 0 HD2 TYR A 45 3.327 11.394 0.768 1.00100.00 H new ATOM 0 HE1 TYR A 45 2.711 6.571 -0.256 1.00100.00 H new ATOM 0 HE2 TYR A 45 1.322 10.200 1.616 1.00100.00 H new ATOM 0 HH TYR A 45 0.219 8.263 1.710 1.00100.00 H new ATOM 701 N PRO A 46 6.052 13.115 -2.735 1.00100.00 N ATOM 702 CA PRO A 46 7.046 14.105 -3.098 1.00100.00 C ATOM 703 C PRO A 46 8.183 14.216 -2.127 1.00100.00 C ATOM 704 O PRO A 46 9.299 14.505 -2.560 1.00100.00 O ATOM 705 CB PRO A 46 6.289 15.428 -3.230 1.00100.00 C ATOM 706 CG PRO A 46 4.869 14.990 -3.564 1.00100.00 C ATOM 707 CD PRO A 46 4.725 13.705 -2.754 1.00100.00 C ATOM 0 HA PRO A 46 7.531 13.812 -4.029 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.325 16.005 -2.306 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.711 16.056 -4.015 1.00100.00 H new ATOM 0 HG2 PRO A 46 4.133 15.739 -3.272 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.738 14.814 -4.632 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.373 13.914 -1.744 1.00100.00 H new ATOM 0 HD3 PRO A 46 4.001 13.031 -3.211 1.00100.00 H new ATOM 715 N GLU A 47 7.896 14.036 -0.817 1.00100.00 N ATOM 716 CA GLU A 47 8.890 14.103 0.222 1.00100.00 C ATOM 717 C GLU A 47 9.683 12.835 0.159 1.00100.00 C ATOM 718 O GLU A 47 9.113 11.740 0.169 1.00100.00 O ATOM 719 CB GLU A 47 8.260 14.192 1.627 1.00100.00 C ATOM 720 CG GLU A 47 9.352 14.291 2.694 1.00100.00 C ATOM 721 CD GLU A 47 8.769 14.419 4.097 1.00100.00 C ATOM 722 OE1 GLU A 47 7.532 14.292 4.223 1.00100.00 O ATOM 723 OE2 GLU A 47 9.578 14.641 5.023 1.00100.00 O1- ATOM 0 H GLU A 47 6.956 13.840 -0.473 1.00100.00 H new ATOM 0 HA GLU A 47 9.497 14.995 0.065 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.606 15.062 1.685 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.641 13.314 1.811 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.988 13.407 2.645 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.986 15.152 2.485 1.00100.00 H new ATOM 730 N GLU A 48 11.023 12.980 0.110 1.00100.00 N ATOM 731 CA GLU A 48 11.886 11.842 0.037 1.00100.00 C ATOM 732 C GLU A 48 12.523 11.587 1.358 1.00100.00 C ATOM 733 O GLU A 48 13.054 12.496 1.996 1.00100.00 O ATOM 734 CB GLU A 48 13.016 11.953 -0.993 1.00100.00 C ATOM 735 CG GLU A 48 12.503 11.901 -2.429 1.00100.00 C ATOM 736 CD GLU A 48 13.681 11.884 -3.394 1.00100.00 C ATOM 737 OE1 GLU A 48 14.554 12.767 -3.244 1.00100.00 O ATOM 738 OE2 GLU A 48 13.696 10.979 -4.256 1.00100.00 O1- ATOM 0 H GLU A 48 11.504 13.879 0.121 1.00100.00 H new ATOM 0 HA GLU A 48 11.231 11.029 -0.274 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.556 12.887 -0.837 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.728 11.143 -0.835 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.889 11.012 -2.574 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.868 12.764 -2.630 1.00100.00 H new ATOM 745 N LEU A 49 12.432 10.313 1.799 1.00100.00 N ATOM 746 CA LEU A 49 12.979 9.844 3.043 1.00100.00 C ATOM 747 C LEU A 49 14.479 9.950 3.087 1.00100.00 C ATOM 748 O LEU A 49 15.029 10.406 4.091 1.00100.00 O ATOM 749 CB LEU A 49 12.599 8.377 3.313 1.00100.00 C ATOM 750 CG LEU A 49 11.084 8.165 3.236 1.00100.00 C ATOM 751 CD1 LEU A 49 10.776 6.690 3.483 1.00100.00 C ATOM 752 CD2 LEU A 49 10.355 9.013 4.279 1.00100.00 C ATOM 0 H LEU A 49 11.959 9.581 1.269 1.00100.00 H new ATOM 0 HA LEU A 49 12.550 10.489 3.809 1.00100.00 H new ATOM 0 HB2 LEU A 49 13.095 7.732 2.587 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.959 8.083 4.299 1.00100.00 H new ATOM 0 HG LEU A 49 10.740 8.467 2.247 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.699 6.529 3.430 1.00100.00 H new ATOM 0 HD12 LEU A 49 11.271 6.083 2.725 1.00100.00 H new ATOM 0 HD13 LEU A 49 11.138 6.403 4.470 1.00100.00 H new ATOM 0 HD21 LEU A 49 9.281 8.842 4.201 1.00100.00 H new ATOM 0 HD22 LEU A 49 10.695 8.735 5.276 1.00100.00 H new ATOM 0 HD23 LEU A 49 10.568 10.068 4.104 1.00100.00 H new ATOM 764 N LEU A 50 15.160 9.547 1.982 1.00100.00 N ATOM 765 CA LEU A 50 16.599 9.573 1.873 1.00100.00 C ATOM 766 C LEU A 50 17.175 10.957 1.969 1.00100.00 C ATOM 767 O LEU A 50 18.142 11.171 2.703 1.00100.00 O ATOM 768 CB LEU A 50 17.117 8.950 0.555 1.00100.00 C ATOM 769 CG LEU A 50 16.821 7.449 0.487 1.00100.00 C ATOM 770 CD1 LEU A 50 17.184 6.939 -0.907 1.00100.00 C ATOM 771 CD2 LEU A 50 17.639 6.680 1.525 1.00100.00 C ATOM 0 H LEU A 50 14.697 9.195 1.144 1.00100.00 H new ATOM 0 HA LEU A 50 16.931 8.976 2.722 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.652 9.452 -0.293 1.00100.00 H new ATOM 0 HB3 LEU A 50 18.191 9.114 0.472 1.00100.00 H new ATOM 0 HG LEU A 50 15.762 7.292 0.694 1.00100.00 H new ATOM 0 HD11 LEU A 50 16.978 5.870 -0.969 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.590 7.467 -1.653 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.243 7.115 -1.095 1.00100.00 H new ATOM 0 HD21 LEU A 50 17.409 5.617 1.454 1.00100.00 H new ATOM 0 HD22 LEU A 50 18.702 6.835 1.338 1.00100.00 H new ATOM 0 HD23 LEU A 50 17.390 7.040 2.523 1.00100.00 H new ATOM 783 N THR A 51 16.567 11.933 1.260 1.00100.00 N ATOM 784 CA THR A 51 17.049 13.291 1.267 1.00100.00 C ATOM 785 C THR A 51 16.412 14.040 2.407 1.00100.00 C ATOM 786 O THR A 51 15.404 14.737 2.245 1.00100.00 O ATOM 787 CB THR A 51 16.845 13.985 -0.066 1.00100.00 C ATOM 788 OG1 THR A 51 15.489 13.940 -0.435 1.00100.00 O ATOM 789 CG2 THR A 51 17.675 13.298 -1.148 1.00100.00 C ATOM 0 H THR A 51 15.741 11.784 0.681 1.00100.00 H new ATOM 0 HA THR A 51 18.128 13.276 1.420 1.00100.00 H new ATOM 0 HB THR A 51 17.161 15.023 0.036 1.00100.00 H new ATOM 0 HG1 THR A 51 14.937 14.268 0.306 1.00100.00 H new ATOM 0 HG21 THR A 51 17.521 13.804 -2.101 1.00100.00 H new ATOM 0 HG22 THR A 51 18.731 13.342 -0.880 1.00100.00 H new ATOM 0 HG23 THR A 51 17.367 12.256 -1.237 1.00100.00 H new ATOM 797 N ASP A 52 17.017 13.909 3.615 1.00100.00 N ATOM 798 CA ASP A 52 16.470 14.575 4.766 1.00100.00 C ATOM 799 C ASP A 52 17.175 15.894 4.885 1.00100.00 C ATOM 800 O ASP A 52 18.365 15.981 5.194 1.00100.00 O ATOM 801 CB ASP A 52 16.597 13.757 6.083 1.00100.00 C ATOM 802 CG ASP A 52 16.059 14.550 7.268 1.00100.00 C ATOM 803 OD1 ASP A 52 14.981 15.160 7.103 1.00100.00 O ATOM 804 OD2 ASP A 52 16.740 14.535 8.316 1.00100.00 O1- ATOM 0 H ASP A 52 17.858 13.359 3.789 1.00100.00 H new ATOM 0 HA ASP A 52 15.397 14.702 4.622 1.00100.00 H new ATOM 0 HB2 ASP A 52 16.049 12.820 5.988 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.642 13.499 6.257 1.00100.00 H new ATOM 809 N GLY A 53 16.403 16.949 4.559 1.00100.00 N ATOM 810 CA GLY A 53 16.815 18.320 4.607 1.00100.00 C ATOM 811 C GLY A 53 17.483 18.768 3.343 1.00100.00 C ATOM 812 O GLY A 53 17.707 19.964 3.181 1.00100.00 O ATOM 0 H GLY A 53 15.439 16.839 4.245 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.946 18.950 4.797 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.499 18.460 5.444 1.00100.00 H new ATOM 816 N GLU A 54 17.853 17.837 2.430 1.00100.00 N ATOM 817 CA GLU A 54 18.475 18.208 1.189 1.00100.00 C ATOM 818 C GLU A 54 17.506 18.865 0.256 1.00100.00 C ATOM 819 O GLU A 54 17.844 19.865 -0.379 1.00100.00 O ATOM 820 CB GLU A 54 19.232 17.059 0.505 1.00100.00 C ATOM 821 CG GLU A 54 20.306 16.516 1.448 1.00100.00 C ATOM 822 CD GLU A 54 21.163 15.450 0.776 1.00100.00 C ATOM 823 OE1 GLU A 54 20.648 14.803 -0.161 1.00100.00 O ATOM 824 OE2 GLU A 54 22.324 15.301 1.215 1.00100.00 O1- ATOM 0 H GLU A 54 17.721 16.833 2.553 1.00100.00 H new ATOM 0 HA GLU A 54 19.236 18.942 1.454 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.537 16.264 0.233 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.690 17.412 -0.419 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.942 17.335 1.784 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.832 16.095 2.335 1.00100.00 H new ATOM 831 N ASP A 55 16.269 18.312 0.176 1.00100.00 N ATOM 832 CA ASP A 55 15.226 18.838 -0.664 1.00100.00 C ATOM 833 C ASP A 55 14.783 20.202 -0.235 1.00100.00 C ATOM 834 O ASP A 55 14.592 21.065 -1.095 1.00100.00 O ATOM 835 CB ASP A 55 13.966 17.952 -0.750 1.00100.00 C ATOM 836 CG ASP A 55 14.218 16.645 -1.496 1.00100.00 C ATOM 837 OD1 ASP A 55 15.292 16.536 -2.127 1.00100.00 O ATOM 838 OD2 ASP A 55 13.318 15.779 -1.435 1.00100.00 O1- ATOM 0 H ASP A 55 15.992 17.485 0.705 1.00100.00 H new ATOM 0 HA ASP A 55 15.694 18.873 -1.648 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.614 17.729 0.257 1.00100.00 H new ATOM 0 HB3 ASP A 55 13.171 18.505 -1.251 1.00100.00 H new ATOM 843 N ASP A 56 14.641 20.416 1.105 1.00100.00 N ATOM 844 CA ASP A 56 14.194 21.660 1.695 1.00100.00 C ATOM 845 C ASP A 56 12.899 22.178 1.135 1.00100.00 C ATOM 846 O ASP A 56 12.749 23.369 0.849 1.00100.00 O ATOM 847 CB ASP A 56 15.244 22.801 1.799 1.00100.00 C ATOM 848 CG ASP A 56 16.371 22.464 2.764 1.00100.00 C ATOM 849 OD1 ASP A 56 16.046 22.016 3.885 1.00100.00 O ATOM 850 OD2 ASP A 56 17.538 22.680 2.370 1.00100.00 O1- ATOM 0 H ASP A 56 14.845 19.696 1.799 1.00100.00 H new ATOM 0 HA ASP A 56 14.017 21.344 2.723 1.00100.00 H new ATOM 0 HB2 ASP A 56 15.661 22.998 0.812 1.00100.00 H new ATOM 0 HB3 ASP A 56 14.751 23.717 2.126 1.00100.00 H new ATOM 855 N VAL A 57 11.936 21.255 0.945 1.00100.00 N ATOM 856 CA VAL A 57 10.638 21.615 0.436 1.00100.00 C ATOM 857 C VAL A 57 9.715 21.563 1.628 1.00100.00 C ATOM 858 O VAL A 57 8.982 22.511 1.917 1.00100.00 O ATOM 859 CB VAL A 57 10.122 20.650 -0.631 1.00100.00 C ATOM 860 CG1 VAL A 57 8.731 21.073 -1.103 1.00100.00 C ATOM 861 CG2 VAL A 57 11.080 20.657 -1.822 1.00100.00 C ATOM 0 H VAL A 57 12.052 20.261 1.142 1.00100.00 H new ATOM 0 HA VAL A 57 10.689 22.594 -0.040 1.00100.00 H new ATOM 0 HB VAL A 57 10.062 19.649 -0.203 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.377 20.376 -1.863 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.043 21.068 -0.258 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.780 22.077 -1.526 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.716 19.970 -2.586 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.137 21.663 -2.237 1.00100.00 H new ATOM 0 HG23 VAL A 57 12.071 20.343 -1.494 1.00100.00 H new ATOM 871 N PHE A 58 9.778 20.429 2.359 1.00100.00 N ATOM 872 CA PHE A 58 8.970 20.159 3.508 1.00100.00 C ATOM 873 C PHE A 58 9.196 21.028 4.696 1.00100.00 C ATOM 874 O PHE A 58 8.220 21.374 5.361 1.00100.00 O ATOM 875 CB PHE A 58 8.879 18.652 3.808 1.00100.00 C ATOM 876 CG PHE A 58 7.935 18.015 2.816 1.00100.00 C ATOM 877 CD1 PHE A 58 8.353 17.781 1.499 1.00100.00 C ATOM 878 CD2 PHE A 58 6.601 17.782 3.178 1.00100.00 C ATOM 879 CE1 PHE A 58 7.439 17.314 0.544 1.00100.00 C ATOM 880 CE2 PHE A 58 5.688 17.306 2.225 1.00100.00 C ATOM 881 CZ PHE A 58 6.106 17.076 0.908 1.00100.00 C ATOM 0 H PHE A 58 10.421 19.669 2.136 1.00100.00 H new ATOM 0 HA PHE A 58 7.967 20.474 3.219 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.865 18.193 3.739 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.523 18.490 4.825 1.00100.00 H new ATOM 0 HD1 PHE A 58 9.381 17.961 1.219 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.276 17.969 4.191 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.761 17.138 -0.472 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.663 17.117 2.507 1.00100.00 H new ATOM 0 HZ PHE A 58 5.402 16.715 0.173 1.00100.00 H new ATOM 891 N ASP A 59 10.465 21.397 5.008 1.00100.00 N ATOM 892 CA ASP A 59 10.718 22.259 6.144 1.00100.00 C ATOM 893 C ASP A 59 10.070 23.630 6.001 1.00100.00 C ATOM 894 O ASP A 59 9.389 24.032 6.947 1.00100.00 O ATOM 895 CB ASP A 59 12.220 22.392 6.524 1.00100.00 C ATOM 896 CG ASP A 59 12.828 21.017 6.763 1.00100.00 C ATOM 897 OD1 ASP A 59 12.379 20.358 7.726 1.00100.00 O ATOM 898 OD2 ASP A 59 13.720 20.644 5.971 1.00100.00 O1- ATOM 0 H ASP A 59 11.296 21.109 4.491 1.00100.00 H new ATOM 0 HA ASP A 59 10.237 21.746 6.977 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.760 22.902 5.727 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.323 23.003 7.421 1.00100.00 H new ATOM 903 N PRO A 60 10.189 24.375 4.849 1.00100.00 N ATOM 904 CA PRO A 60 9.543 25.659 4.704 1.00100.00 C ATOM 905 C PRO A 60 8.065 25.582 4.436 1.00100.00 C ATOM 906 O PRO A 60 7.414 26.617 4.597 1.00100.00 O ATOM 907 CB PRO A 60 10.299 26.401 3.605 1.00100.00 C ATOM 908 CG PRO A 60 10.752 25.236 2.721 1.00100.00 C ATOM 909 CD PRO A 60 11.066 24.122 3.724 1.00100.00 C ATOM 0 HA PRO A 60 9.591 26.197 5.651 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.661 27.102 3.067 1.00100.00 H new ATOM 0 HB3 PRO A 60 11.141 26.972 3.997 1.00100.00 H new ATOM 0 HG2 PRO A 60 9.972 24.937 2.021 1.00100.00 H new ATOM 0 HG3 PRO A 60 11.628 25.500 2.128 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.881 23.138 3.292 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.113 24.146 4.026 1.00100.00 H new ATOM 917 N ASP A 61 7.529 24.392 4.041 1.00100.00 N ATOM 918 CA ASP A 61 6.132 24.174 3.732 1.00100.00 C ATOM 919 C ASP A 61 5.589 25.124 2.694 1.00100.00 C ATOM 920 O ASP A 61 4.496 25.683 2.830 1.00100.00 O ATOM 921 CB ASP A 61 5.192 24.110 4.972 1.00100.00 C ATOM 922 CG ASP A 61 5.565 22.932 5.864 1.00100.00 C ATOM 923 OD1 ASP A 61 5.453 21.790 5.368 1.00100.00 O1- ATOM 924 OD2 ASP A 61 5.957 23.195 7.022 1.00100.00 O ATOM 0 H ASP A 61 8.094 23.550 3.934 1.00100.00 H new ATOM 0 HA ASP A 61 6.130 23.174 3.297 1.00100.00 H new ATOM 0 HB2 ASP A 61 5.263 25.039 5.538 1.00100.00 H new ATOM 0 HB3 ASP A 61 4.156 24.013 4.646 1.00100.00 H new ATOM 929 N LEU A 62 6.382 25.323 1.619 1.00100.00 N ATOM 930 CA LEU A 62 6.020 26.188 0.528 1.00100.00 C ATOM 931 C LEU A 62 5.586 25.310 -0.600 1.00100.00 C ATOM 932 O LEU A 62 6.315 24.400 -1.005 1.00100.00 O ATOM 933 CB LEU A 62 7.186 27.039 -0.025 1.00100.00 C ATOM 934 CG LEU A 62 7.720 27.988 1.048 1.00100.00 C ATOM 935 CD1 LEU A 62 8.966 28.694 0.515 1.00100.00 C ATOM 936 CD2 LEU A 62 6.674 29.037 1.427 1.00100.00 C ATOM 0 H LEU A 62 7.291 24.875 1.504 1.00100.00 H new ATOM 0 HA LEU A 62 5.257 26.869 0.906 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.987 26.386 -0.371 1.00100.00 H new ATOM 0 HB3 LEU A 62 6.847 27.612 -0.888 1.00100.00 H new ATOM 0 HG LEU A 62 7.961 27.404 1.936 1.00100.00 H new ATOM 0 HD11 LEU A 62 9.353 29.373 1.275 1.00100.00 H new ATOM 0 HD12 LEU A 62 9.727 27.953 0.269 1.00100.00 H new ATOM 0 HD13 LEU A 62 8.708 29.260 -0.380 1.00100.00 H new ATOM 0 HD21 LEU A 62 7.082 29.698 2.192 1.00100.00 H new ATOM 0 HD22 LEU A 62 6.409 29.622 0.546 1.00100.00 H new ATOM 0 HD23 LEU A 62 5.784 28.540 1.814 1.00100.00 H new ATOM 948 N ASP A 63 4.358 25.566 -1.101 1.00100.00 N ATOM 949 CA ASP A 63 3.811 24.828 -2.202 1.00100.00 C ATOM 950 C ASP A 63 3.732 25.853 -3.293 1.00100.00 C ATOM 951 O ASP A 63 3.038 26.866 -3.159 1.00100.00 O ATOM 952 CB ASP A 63 2.381 24.288 -1.921 1.00100.00 C ATOM 953 CG ASP A 63 1.758 23.675 -3.172 1.00100.00 C ATOM 954 OD1 ASP A 63 2.534 23.174 -4.016 1.00100.00 O ATOM 955 OD2 ASP A 63 0.512 23.722 -3.262 1.00100.00 O1- ATOM 0 H ASP A 63 3.740 26.292 -0.738 1.00100.00 H new ATOM 0 HA ASP A 63 4.419 23.953 -2.429 1.00100.00 H new ATOM 0 HB2 ASP A 63 2.423 23.539 -1.130 1.00100.00 H new ATOM 0 HB3 ASP A 63 1.749 25.099 -1.559 1.00100.00 H new ATOM 960 N MET A 64 4.481 25.611 -4.390 1.00100.00 N ATOM 961 CA MET A 64 4.479 26.507 -5.507 1.00100.00 C ATOM 962 C MET A 64 4.005 25.709 -6.677 1.00100.00 C ATOM 963 O MET A 64 4.725 24.869 -7.230 1.00100.00 O ATOM 964 CB MET A 64 5.866 27.120 -5.795 1.00100.00 C ATOM 965 CG MET A 64 6.328 27.946 -4.595 1.00100.00 C ATOM 966 SD MET A 64 8.020 28.568 -4.735 1.00100.00 S ATOM 967 CE MET A 64 8.917 27.002 -4.580 1.00100.00 C ATOM 0 H MET A 64 5.085 24.797 -4.501 1.00100.00 H new ATOM 0 HA MET A 64 3.830 27.357 -5.295 1.00100.00 H new ATOM 0 HB2 MET A 64 6.587 26.329 -6.003 1.00100.00 H new ATOM 0 HB3 MET A 64 5.818 27.749 -6.684 1.00100.00 H new ATOM 0 HG2 MET A 64 5.651 28.791 -4.467 1.00100.00 H new ATOM 0 HG3 MET A 64 6.250 27.335 -3.695 1.00100.00 H new ATOM 0 HE1 MET A 64 9.495 27.004 -3.656 1.00100.00 H new ATOM 0 HE2 MET A 64 8.206 26.176 -4.561 1.00100.00 H new ATOM 0 HE3 MET A 64 9.590 26.883 -5.429 1.00100.00 H new ATOM 977 N GLU A 65 2.768 26.030 -7.105 1.00100.00 N ATOM 978 CA GLU A 65 2.102 25.396 -8.208 1.00100.00 C ATOM 979 C GLU A 65 2.795 25.621 -9.511 1.00100.00 C ATOM 980 O GLU A 65 2.934 24.688 -10.299 1.00100.00 O ATOM 981 CB GLU A 65 0.631 25.823 -8.353 1.00100.00 C ATOM 982 CG GLU A 65 -0.146 25.422 -7.100 1.00100.00 C ATOM 983 CD GLU A 65 -1.617 25.784 -7.238 1.00100.00 C ATOM 984 OE1 GLU A 65 -1.917 26.993 -7.139 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.417 24.844 -7.443 1.00100.00 O1- ATOM 0 H GLU A 65 2.208 26.761 -6.666 1.00100.00 H new ATOM 0 HA GLU A 65 2.136 24.334 -7.965 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.568 26.901 -8.503 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.190 25.353 -9.232 1.00100.00 H new ATOM 0 HG2 GLU A 65 -0.045 24.350 -6.931 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.276 25.923 -6.229 1.00100.00 H new ATOM 992 N VAL A 66 3.280 26.865 -9.731 1.00100.00 N ATOM 993 CA VAL A 66 3.952 27.280 -10.937 1.00100.00 C ATOM 994 C VAL A 66 5.210 26.470 -11.136 1.00100.00 C ATOM 995 O VAL A 66 5.444 25.999 -12.250 1.00100.00 O ATOM 996 CB VAL A 66 4.260 28.777 -10.907 1.00100.00 C ATOM 997 CG1 VAL A 66 4.964 29.193 -12.198 1.00100.00 C ATOM 998 CG2 VAL A 66 2.964 29.574 -10.764 1.00100.00 C ATOM 0 H VAL A 66 3.201 27.612 -9.041 1.00100.00 H new ATOM 0 HA VAL A 66 3.288 27.099 -11.782 1.00100.00 H new ATOM 0 HB VAL A 66 4.910 28.982 -10.056 1.00100.00 H new ATOM 0 HG11 VAL A 66 5.179 30.261 -12.167 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.896 28.638 -12.299 1.00100.00 H new ATOM 0 HG13 VAL A 66 4.319 28.977 -13.050 1.00100.00 H new ATOM 0 HG21 VAL A 66 3.193 30.640 -10.743 1.00100.00 H new ATOM 0 HG22 VAL A 66 2.310 29.359 -11.609 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.464 29.292 -9.837 1.00100.00 H new ATOM 1008 N VAL A 67 6.011 26.260 -10.056 1.00100.00 N ATOM 1009 CA VAL A 67 7.246 25.514 -10.138 1.00100.00 C ATOM 1010 C VAL A 67 6.994 24.090 -10.556 1.00100.00 C ATOM 1011 O VAL A 67 7.642 23.633 -11.499 1.00100.00 O ATOM 1012 CB VAL A 67 8.030 25.561 -8.827 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.309 24.728 -8.928 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.395 27.006 -8.491 1.00100.00 C ATOM 0 H VAL A 67 5.799 26.610 -9.122 1.00100.00 H new ATOM 0 HA VAL A 67 7.857 25.993 -10.903 1.00100.00 H new ATOM 0 HB VAL A 67 7.401 25.146 -8.039 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.850 24.777 -7.983 1.00100.00 H new ATOM 0 HG12 VAL A 67 9.052 23.691 -9.146 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.937 25.122 -9.727 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.954 27.032 -7.555 1.00100.00 H new ATOM 0 HG22 VAL A 67 9.007 27.422 -9.291 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.485 27.596 -8.387 1.00100.00 H new ATOM 1024 N PHE A 68 6.027 23.388 -9.912 1.00100.00 N ATOM 1025 CA PHE A 68 5.767 22.022 -10.281 1.00100.00 C ATOM 1026 C PHE A 68 5.138 21.835 -11.629 1.00100.00 C ATOM 1027 O PHE A 68 5.523 20.922 -12.364 1.00100.00 O ATOM 1028 CB PHE A 68 5.163 21.110 -9.179 1.00100.00 C ATOM 1029 CG PHE A 68 3.687 21.213 -8.883 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.772 20.445 -9.616 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.243 21.975 -7.794 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.412 20.456 -9.274 1.00100.00 C ATOM 1033 CE2 PHE A 68 1.885 21.983 -7.450 1.00100.00 C ATOM 1034 CZ PHE A 68 0.969 21.227 -8.192 1.00100.00 C ATOM 0 H PHE A 68 5.444 23.754 -9.160 1.00100.00 H new ATOM 0 HA PHE A 68 6.781 21.638 -10.389 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.374 20.076 -9.453 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.701 21.310 -8.252 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.115 19.844 -10.445 1.00100.00 H new ATOM 0 HD2 PHE A 68 3.948 22.557 -7.219 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.707 19.870 -9.845 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.544 22.573 -6.612 1.00100.00 H new ATOM 0 HZ PHE A 68 -0.079 21.239 -7.930 1.00100.00 H new ATOM 1044 N GLU A 69 4.199 22.731 -12.005 1.00100.00 N ATOM 1045 CA GLU A 69 3.511 22.624 -13.261 1.00100.00 C ATOM 1046 C GLU A 69 4.298 23.165 -14.412 1.00100.00 C ATOM 1047 O GLU A 69 4.189 24.328 -14.811 1.00100.00 O ATOM 1048 CB GLU A 69 2.098 23.235 -13.260 1.00100.00 C ATOM 1049 CG GLU A 69 1.215 22.570 -12.204 1.00100.00 C ATOM 1050 CD GLU A 69 -0.176 23.194 -12.161 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.312 24.338 -12.646 1.00100.00 O ATOM 1052 OE2 GLU A 69 -1.082 22.512 -11.634 1.00100.00 O1- ATOM 0 H GLU A 69 3.917 23.530 -11.438 1.00100.00 H new ATOM 0 HA GLU A 69 3.398 21.548 -13.397 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.161 24.306 -13.065 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.646 23.116 -14.245 1.00100.00 H new ATOM 0 HG2 GLU A 69 1.130 21.505 -12.418 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.686 22.661 -11.225 1.00100.00 H new ATOM 1059 N THR A 70 5.172 22.276 -14.931 1.00100.00 N ATOM 1060 CA THR A 70 6.039 22.507 -16.058 1.00100.00 C ATOM 1061 C THR A 70 5.157 22.682 -17.280 1.00100.00 C ATOM 1062 O THR A 70 5.402 23.556 -18.114 1.00100.00 O ATOM 1063 CB THR A 70 6.985 21.339 -16.229 1.00100.00 C ATOM 1064 OG1 THR A 70 7.697 21.142 -15.026 1.00100.00 O ATOM 1065 CG2 THR A 70 7.974 21.614 -17.360 1.00100.00 C ATOM 0 H THR A 70 5.281 21.340 -14.542 1.00100.00 H new ATOM 0 HA THR A 70 6.648 23.399 -15.909 1.00100.00 H new ATOM 0 HB THR A 70 6.408 20.448 -16.475 1.00100.00 H new ATOM 0 HG1 THR A 70 7.921 20.193 -14.930 1.00100.00 H new ATOM 0 HG21 THR A 70 8.647 20.764 -17.469 1.00100.00 H new ATOM 0 HG22 THR A 70 7.428 21.767 -18.291 1.00100.00 H new ATOM 0 HG23 THR A 70 8.553 22.508 -17.128 1.00100.00 H new ATOM 1073 N GLN A 71 4.089 21.848 -17.374 1.00100.00 N ATOM 1074 CA GLN A 71 3.135 21.867 -18.453 1.00100.00 C ATOM 1075 C GLN A 71 2.235 23.090 -18.258 1.00100.00 C ATOM 1076 O GLN A 71 1.681 23.271 -17.140 1.00100.00 O ATOM 1077 CB GLN A 71 2.189 20.647 -18.485 1.00100.00 C ATOM 1078 CG GLN A 71 2.983 19.338 -18.474 1.00100.00 C ATOM 1079 CD GLN A 71 2.311 18.301 -17.580 1.00100.00 C ATOM 1080 OE1 GLN A 71 1.189 17.878 -17.845 1.00100.00 O ATOM 1081 NE2 GLN A 71 3.001 17.894 -16.511 1.00100.00 N ATOM 1082 OXT GLN A 71 2.097 23.855 -19.237 1.00100.00 O1- ATOM 0 H GLN A 71 3.885 21.136 -16.672 1.00100.00 H new ATOM 0 HA GLN A 71 3.715 21.872 -19.376 1.00100.00 H new ATOM 0 HB2 GLN A 71 1.520 20.678 -17.625 1.00100.00 H new ATOM 0 HB3 GLN A 71 1.564 20.690 -19.377 1.00100.00 H new ATOM 0 HG2 GLN A 71 3.066 18.950 -19.489 1.00100.00 H new ATOM 0 HG3 GLN A 71 3.997 19.526 -18.121 1.00100.00 H new ATOM 0 HE21 GLN A 71 3.931 18.273 -16.330 1.00100.00 H new ATOM 0 HE22 GLN A 71 2.598 17.205 -15.876 1.00100.00 H new TER 1091 GLN A 71 HETATM 1092 ZN ZN A 101 4.487 0.610 0.015 1.00 73.25 ZN