USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -135:sc= 1.62 USER MOD Set 1.2: A 98 GLN : amide:sc= 2.11 K(o=3.7,f=-1.1) USER MOD Set 2.1: A 59 ASN : amide:sc= 2.12 K(o=2.9,f=-6.2!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.802 K(o=2.9,f=-6.2) USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0.624 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -169:sc= 0.555 (180deg=-0.152) USER MOD Set 4.1: A 8 THR OG1 : rot -49:sc= 1.43 USER MOD Set 4.2: A 11 SER OG : rot 107:sc= 2.51 USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0313) USER MOD Single : A 6 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-0.65) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 1.04 (180deg=0.876) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 1.09 K(o=1.1,f=-0.035) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.95 (180deg=0.907) USER MOD Single : A 63 ASN : amide:sc= 1.45 K(o=1.5,f=-4.5!) USER MOD Single : A 66 THR OG1 : rot -52:sc= 1.3 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00928) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 41:sc= 1.02 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 1.38 (180deg=1.36) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 1.06 (180deg=1.04) USER MOD Single : A 106 ASN : amide:sc= 1.19 K(o=1.2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 3.937 -8.763 1.801 1.00 0.00 N ATOM 25 CA LYS A 3 2.675 -8.278 2.348 1.00 0.00 C ATOM 26 C LYS A 3 1.859 -7.572 1.255 1.00 0.00 C ATOM 27 O LYS A 3 0.968 -6.784 1.563 1.00 0.00 O ATOM 28 CB LYS A 3 2.949 -7.338 3.533 1.00 0.00 C ATOM 29 CG LYS A 3 3.689 -8.030 4.685 1.00 0.00 C ATOM 30 CD LYS A 3 3.891 -7.050 5.846 1.00 0.00 C ATOM 31 CE LYS A 3 4.836 -7.629 6.906 1.00 0.00 C ATOM 32 NZ LYS A 3 4.311 -8.872 7.498 1.00 0.00 N ATOM 0 HA LYS A 3 2.089 -9.123 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.538 -6.488 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.003 -6.941 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.121 -8.896 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.654 -8.399 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.297 -6.112 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.928 -6.819 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.809 -7.826 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.993 -6.891 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.929 -9.173 8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.351 -8.705 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.281 -9.617 6.773 1.00 0.00 H new ATOM 46 N ILE A 4 2.154 -7.839 -0.021 1.00 0.00 N ATOM 47 CA ILE A 4 1.452 -7.217 -1.133 1.00 0.00 C ATOM 48 C ILE A 4 0.123 -7.923 -1.378 1.00 0.00 C ATOM 49 O ILE A 4 0.075 -9.151 -1.459 1.00 0.00 O ATOM 50 CB ILE A 4 2.316 -7.201 -2.402 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.597 -6.400 -2.110 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.524 -6.589 -3.568 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.356 -6.019 -3.378 1.00 0.00 C ATOM 0 H ILE A 4 2.885 -8.491 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 4 1.247 -6.179 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 4 2.590 -8.216 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.337 -5.495 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.249 -6.988 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.144 -6.581 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.629 -7.183 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.237 -5.568 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.250 -5.456 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.643 -6.923 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.717 -5.406 -4.014 1.00 0.00 H new ATOM 65 N ILE A 5 -0.946 -7.136 -1.517 1.00 0.00 N ATOM 66 CA ILE A 5 -2.292 -7.642 -1.757 1.00 0.00 C ATOM 67 C ILE A 5 -2.627 -7.629 -3.247 1.00 0.00 C ATOM 68 O ILE A 5 -2.557 -6.598 -3.909 1.00 0.00 O ATOM 69 CB ILE A 5 -3.313 -6.846 -0.922 1.00 0.00 C ATOM 70 CG1 ILE A 5 -2.894 -6.665 0.550 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.700 -7.500 -1.008 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.622 -7.973 1.302 1.00 0.00 C ATOM 0 H ILE A 5 -0.897 -6.119 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.341 -8.683 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.351 -5.846 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.996 -6.048 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.678 -6.117 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.410 -6.926 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.029 -7.520 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.646 -8.519 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.334 -7.749 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.523 -8.586 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.815 -8.515 0.809 1.00 0.00 H new ATOM 84 N HIS A 6 -2.997 -8.793 -3.777 1.00 0.00 N ATOM 85 CA HIS A 6 -3.327 -8.982 -5.177 1.00 0.00 C ATOM 86 C HIS A 6 -4.821 -8.756 -5.382 1.00 0.00 C ATOM 87 O HIS A 6 -5.635 -9.555 -4.927 1.00 0.00 O ATOM 88 CB HIS A 6 -2.820 -10.366 -5.586 1.00 0.00 C ATOM 89 CG HIS A 6 -1.315 -10.408 -5.451 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.590 -10.891 -4.373 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.496 -9.570 -6.148 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.653 -10.373 -4.456 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.735 -9.586 -5.536 1.00 0.00 N ATOM 0 H HIS A 6 -3.076 -9.648 -3.226 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.840 -8.257 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.274 -11.132 -4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.110 -10.583 -6.614 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.933 -11.523 -3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.766 -8.997 -7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.456 -10.563 -3.760 1.00 0.00 H new ATOM 102 N LEU A 7 -5.170 -7.639 -6.027 1.00 0.00 N ATOM 103 CA LEU A 7 -6.545 -7.210 -6.228 1.00 0.00 C ATOM 104 C LEU A 7 -7.120 -7.665 -7.564 1.00 0.00 C ATOM 105 O LEU A 7 -6.387 -8.033 -8.482 1.00 0.00 O ATOM 106 CB LEU A 7 -6.586 -5.677 -6.214 1.00 0.00 C ATOM 107 CG LEU A 7 -5.940 -5.025 -4.987 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.128 -3.514 -5.116 1.00 0.00 C ATOM 109 CD2 LEU A 7 -6.624 -5.479 -3.703 1.00 0.00 C ATOM 0 H LEU A 7 -4.486 -6.999 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.138 -7.655 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.087 -5.307 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.626 -5.355 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.888 -5.306 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.679 -3.017 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.648 -3.164 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.192 -3.282 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.146 -5.001 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.677 -5.199 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.539 -6.562 -3.609 1.00 0.00 H new ATOM 121 N THR A 8 -8.446 -7.550 -7.680 1.00 0.00 N ATOM 122 CA THR A 8 -9.196 -7.771 -8.901 1.00 0.00 C ATOM 123 C THR A 8 -10.148 -6.586 -9.047 1.00 0.00 C ATOM 124 O THR A 8 -10.415 -5.903 -8.058 1.00 0.00 O ATOM 125 CB THR A 8 -9.998 -9.074 -8.829 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.974 -8.988 -7.806 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.097 -10.286 -8.577 1.00 0.00 C ATOM 0 H THR A 8 -9.040 -7.291 -6.893 1.00 0.00 H new ATOM 0 HA THR A 8 -8.520 -7.854 -9.752 1.00 0.00 H new ATOM 0 HB THR A 8 -10.484 -9.212 -9.795 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.556 -8.662 -6.982 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.706 -11.189 -8.533 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.373 -10.376 -9.387 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.570 -10.157 -7.632 1.00 0.00 H new ATOM 135 N ASP A 9 -10.691 -6.351 -10.245 1.00 0.00 N ATOM 136 CA ASP A 9 -11.662 -5.284 -10.460 1.00 0.00 C ATOM 137 C ASP A 9 -12.829 -5.459 -9.484 1.00 0.00 C ATOM 138 O ASP A 9 -13.249 -4.517 -8.818 1.00 0.00 O ATOM 139 CB ASP A 9 -12.174 -5.318 -11.905 1.00 0.00 C ATOM 140 CG ASP A 9 -13.123 -4.154 -12.167 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.597 -3.039 -12.385 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.348 -4.395 -12.139 1.00 0.00 O ATOM 0 H ASP A 9 -10.471 -6.890 -11.082 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.184 -4.320 -10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.332 -5.270 -12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.687 -6.261 -12.092 1.00 0.00 H new ATOM 147 N ASP A 10 -13.330 -6.693 -9.412 1.00 0.00 N ATOM 148 CA ASP A 10 -14.440 -7.096 -8.565 1.00 0.00 C ATOM 149 C ASP A 10 -14.148 -6.823 -7.090 1.00 0.00 C ATOM 150 O ASP A 10 -14.994 -6.285 -6.381 1.00 0.00 O ATOM 151 CB ASP A 10 -14.732 -8.589 -8.774 1.00 0.00 C ATOM 152 CG ASP A 10 -15.021 -8.924 -10.234 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.039 -8.944 -11.008 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.210 -9.147 -10.548 1.00 0.00 O ATOM 0 H ASP A 10 -12.956 -7.464 -9.965 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.313 -6.507 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.879 -9.175 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.585 -8.879 -8.161 1.00 0.00 H new ATOM 159 N SER A 11 -12.964 -7.216 -6.609 1.00 0.00 N ATOM 160 CA SER A 11 -12.631 -7.075 -5.198 1.00 0.00 C ATOM 161 C SER A 11 -12.233 -5.640 -4.838 1.00 0.00 C ATOM 162 O SER A 11 -12.358 -5.240 -3.681 1.00 0.00 O ATOM 163 CB SER A 11 -11.557 -8.104 -4.828 1.00 0.00 C ATOM 164 OG SER A 11 -10.305 -7.804 -5.430 1.00 0.00 O ATOM 0 H SER A 11 -12.227 -7.632 -7.178 1.00 0.00 H new ATOM 0 HA SER A 11 -13.519 -7.280 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.441 -8.134 -3.745 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.882 -9.096 -5.141 1.00 0.00 H new ATOM 0 HG SER A 11 -9.689 -7.460 -4.750 1.00 0.00 H new ATOM 170 N PHE A 12 -11.742 -4.881 -5.822 1.00 0.00 N ATOM 171 CA PHE A 12 -11.281 -3.508 -5.705 1.00 0.00 C ATOM 172 C PHE A 12 -12.077 -2.642 -4.726 1.00 0.00 C ATOM 173 O PHE A 12 -11.484 -1.986 -3.878 1.00 0.00 O ATOM 174 CB PHE A 12 -11.262 -2.838 -7.085 1.00 0.00 C ATOM 175 CG PHE A 12 -10.268 -1.706 -7.162 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.611 -0.421 -6.702 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.943 -1.989 -7.535 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.624 0.572 -6.611 1.00 0.00 C ATOM 179 CE2 PHE A 12 -7.983 -0.967 -7.542 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.319 0.310 -7.065 1.00 0.00 C ATOM 0 H PHE A 12 -11.654 -5.236 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.275 -3.578 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.020 -3.582 -7.844 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.258 -2.460 -7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.630 -0.200 -6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.664 -2.994 -7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.866 1.538 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.988 -1.162 -7.913 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.574 1.092 -7.047 1.00 0.00 H new ATOM 190 N ASP A 13 -13.408 -2.600 -4.835 1.00 0.00 N ATOM 191 CA ASP A 13 -14.213 -1.763 -3.949 1.00 0.00 C ATOM 192 C ASP A 13 -13.929 -2.097 -2.481 1.00 0.00 C ATOM 193 O ASP A 13 -13.465 -1.258 -1.710 1.00 0.00 O ATOM 194 CB ASP A 13 -15.705 -1.928 -4.271 1.00 0.00 C ATOM 195 CG ASP A 13 -16.574 -1.181 -3.261 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.784 0.031 -3.475 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.004 -1.832 -2.285 1.00 0.00 O ATOM 0 H ASP A 13 -13.944 -3.131 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.940 -0.721 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.907 -1.554 -5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.966 -2.986 -4.267 1.00 0.00 H new ATOM 202 N THR A 14 -14.226 -3.334 -2.099 1.00 0.00 N ATOM 203 CA THR A 14 -14.065 -3.812 -0.743 1.00 0.00 C ATOM 204 C THR A 14 -12.611 -3.725 -0.284 1.00 0.00 C ATOM 205 O THR A 14 -12.332 -3.355 0.853 1.00 0.00 O ATOM 206 CB THR A 14 -14.580 -5.255 -0.685 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.700 -5.387 -1.543 1.00 0.00 O ATOM 208 CG2 THR A 14 -14.975 -5.656 0.739 1.00 0.00 C ATOM 0 H THR A 14 -14.591 -4.040 -2.738 1.00 0.00 H new ATOM 0 HA THR A 14 -14.639 -3.183 -0.063 1.00 0.00 H new ATOM 0 HB THR A 14 -13.776 -5.916 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.031 -6.309 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.335 -6.685 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.108 -5.574 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.764 -4.995 1.098 1.00 0.00 H new ATOM 216 N ASP A 15 -11.687 -4.100 -1.165 1.00 0.00 N ATOM 217 CA ASP A 15 -10.275 -4.152 -0.831 1.00 0.00 C ATOM 218 C ASP A 15 -9.665 -2.762 -0.679 1.00 0.00 C ATOM 219 O ASP A 15 -8.820 -2.572 0.188 1.00 0.00 O ATOM 220 CB ASP A 15 -9.502 -4.916 -1.910 1.00 0.00 C ATOM 221 CG ASP A 15 -9.876 -6.388 -2.055 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.675 -6.886 -1.232 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.350 -6.999 -3.012 1.00 0.00 O ATOM 0 H ASP A 15 -11.899 -4.374 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.197 -4.666 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.661 -4.421 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.437 -4.848 -1.689 1.00 0.00 H new ATOM 228 N VAL A 16 -10.023 -1.827 -1.562 1.00 0.00 N ATOM 229 CA VAL A 16 -9.427 -0.504 -1.647 1.00 0.00 C ATOM 230 C VAL A 16 -10.349 0.599 -1.154 1.00 0.00 C ATOM 231 O VAL A 16 -10.025 1.295 -0.193 1.00 0.00 O ATOM 232 CB VAL A 16 -8.981 -0.225 -3.093 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.220 1.103 -3.193 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.099 -1.356 -3.624 1.00 0.00 C ATOM 0 H VAL A 16 -10.756 -1.980 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.562 -0.500 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.884 -0.162 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.918 1.272 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.866 1.918 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.335 1.064 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.798 -1.133 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.212 -1.450 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.657 -2.292 -3.606 1.00 0.00 H new ATOM 244 N LEU A 17 -11.487 0.789 -1.823 1.00 0.00 N ATOM 245 CA LEU A 17 -12.382 1.894 -1.509 1.00 0.00 C ATOM 246 C LEU A 17 -12.840 1.847 -0.056 1.00 0.00 C ATOM 247 O LEU A 17 -12.961 2.891 0.582 1.00 0.00 O ATOM 248 CB LEU A 17 -13.552 1.966 -2.501 1.00 0.00 C ATOM 249 CG LEU A 17 -13.105 2.111 -3.968 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.351 2.265 -4.848 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.181 3.316 -4.188 1.00 0.00 C ATOM 0 H LEU A 17 -11.807 0.190 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.822 2.822 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.158 1.066 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.189 2.810 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.540 1.217 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.050 2.369 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.984 1.385 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.906 3.151 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.897 3.370 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.702 4.231 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.286 3.205 -3.576 1.00 0.00 H new ATOM 263 N LYS A 18 -13.077 0.646 0.476 1.00 0.00 N ATOM 264 CA LYS A 18 -13.499 0.496 1.863 1.00 0.00 C ATOM 265 C LYS A 18 -12.322 0.385 2.846 1.00 0.00 C ATOM 266 O LYS A 18 -12.566 0.230 4.043 1.00 0.00 O ATOM 267 CB LYS A 18 -14.481 -0.678 1.992 1.00 0.00 C ATOM 268 CG LYS A 18 -15.687 -0.497 1.055 1.00 0.00 C ATOM 269 CD LYS A 18 -16.793 -1.532 1.300 1.00 0.00 C ATOM 270 CE LYS A 18 -17.568 -1.264 2.598 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.690 -2.207 2.750 1.00 0.00 N ATOM 0 H LYS A 18 -12.983 -0.232 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.018 1.411 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.970 -1.611 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.826 -0.756 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.097 0.504 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.351 -0.569 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.486 -1.526 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.352 -2.528 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.896 -1.353 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.946 -0.242 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.197 -2.004 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.342 -2.104 1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.324 -3.180 2.776 1.00 0.00 H new ATOM 314 N ALA A 22 -3.980 3.441 4.264 1.00 0.00 N ATOM 315 CA ALA A 22 -3.243 3.867 3.083 1.00 0.00 C ATOM 316 C ALA A 22 -2.924 2.638 2.240 1.00 0.00 C ATOM 317 O ALA A 22 -2.088 1.826 2.637 1.00 0.00 O ATOM 318 CB ALA A 22 -1.974 4.605 3.517 1.00 0.00 C ATOM 0 HA ALA A 22 -3.836 4.554 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.420 4.925 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.246 5.477 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.352 3.939 4.114 1.00 0.00 H new ATOM 324 N ILE A 23 -3.581 2.495 1.087 1.00 0.00 N ATOM 325 CA ILE A 23 -3.387 1.381 0.171 1.00 0.00 C ATOM 326 C ILE A 23 -2.649 1.888 -1.064 1.00 0.00 C ATOM 327 O ILE A 23 -3.120 2.818 -1.714 1.00 0.00 O ATOM 328 CB ILE A 23 -4.734 0.696 -0.151 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.010 -0.390 0.901 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.752 0.074 -1.552 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.276 -1.203 0.675 1.00 0.00 C ATOM 0 H ILE A 23 -4.276 3.167 0.762 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.771 0.608 0.630 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.511 1.460 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.160 -1.071 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.071 0.083 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.720 -0.395 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.583 0.851 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.966 -0.677 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.381 -1.942 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.141 -0.539 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.215 -1.712 -0.287 1.00 0.00 H new ATOM 343 N LEU A 24 -1.510 1.279 -1.406 1.00 0.00 N ATOM 344 CA LEU A 24 -0.736 1.643 -2.587 1.00 0.00 C ATOM 345 C LEU A 24 -0.944 0.571 -3.644 1.00 0.00 C ATOM 346 O LEU A 24 -0.295 -0.470 -3.586 1.00 0.00 O ATOM 347 CB LEU A 24 0.744 1.793 -2.228 1.00 0.00 C ATOM 348 CG LEU A 24 1.582 2.286 -3.422 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.526 3.806 -3.556 1.00 0.00 C ATOM 350 CD2 LEU A 24 3.034 1.821 -3.296 1.00 0.00 C ATOM 0 H LEU A 24 -1.101 0.517 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.072 2.603 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.846 2.494 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.132 0.834 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 24 1.151 1.851 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.129 4.119 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.493 4.120 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.916 4.266 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.607 2.181 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.465 2.218 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.066 0.732 -3.271 1.00 0.00 H new ATOM 362 N VAL A 25 -1.826 0.819 -4.615 1.00 0.00 N ATOM 363 CA VAL A 25 -2.085 -0.141 -5.676 1.00 0.00 C ATOM 364 C VAL A 25 -1.133 0.095 -6.842 1.00 0.00 C ATOM 365 O VAL A 25 -1.224 1.116 -7.523 1.00 0.00 O ATOM 366 CB VAL A 25 -3.536 -0.096 -6.171 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.771 -1.335 -7.049 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.558 -0.084 -5.032 1.00 0.00 C ATOM 0 H VAL A 25 -2.370 1.679 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.917 -1.132 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.676 0.831 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.797 -1.331 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.083 -1.318 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.600 -2.236 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.565 -0.052 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.442 -0.985 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.395 0.794 -4.406 1.00 0.00 H new ATOM 378 N ASP A 26 -0.258 -0.876 -7.097 1.00 0.00 N ATOM 379 CA ASP A 26 0.636 -0.874 -8.237 1.00 0.00 C ATOM 380 C ASP A 26 -0.083 -1.562 -9.400 1.00 0.00 C ATOM 381 O ASP A 26 -0.207 -2.787 -9.415 1.00 0.00 O ATOM 382 CB ASP A 26 1.940 -1.593 -7.889 1.00 0.00 C ATOM 383 CG ASP A 26 2.780 -1.822 -9.139 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.850 -0.976 -10.026 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.433 -3.005 -9.256 1.00 0.00 O ATOM 0 H ASP A 26 -0.154 -1.698 -6.502 1.00 0.00 H new ATOM 0 HA ASP A 26 0.895 0.146 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.505 -1.002 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.718 -2.549 -7.414 1.00 0.00 H new ATOM 391 N PHE A 27 -0.540 -0.786 -10.379 1.00 0.00 N ATOM 392 CA PHE A 27 -1.191 -1.339 -11.557 1.00 0.00 C ATOM 393 C PHE A 27 -0.074 -1.836 -12.474 1.00 0.00 C ATOM 394 O PHE A 27 0.781 -1.041 -12.864 1.00 0.00 O ATOM 395 CB PHE A 27 -2.063 -0.278 -12.242 1.00 0.00 C ATOM 396 CG PHE A 27 -3.435 -0.087 -11.614 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.566 0.239 -10.252 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.593 -0.203 -12.408 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.839 0.454 -9.693 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.861 0.035 -11.853 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.985 0.360 -10.493 1.00 0.00 C ATOM 0 H PHE A 27 -0.470 0.232 -10.377 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.861 -2.158 -11.297 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.534 0.675 -12.225 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.192 -0.553 -13.289 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.685 0.325 -9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.505 -0.476 -13.449 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.933 0.692 -8.644 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.742 -0.032 -12.474 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.961 0.537 -10.065 1.00 0.00 H new ATOM 411 N TRP A 28 -0.066 -3.136 -12.785 1.00 0.00 N ATOM 412 CA TRP A 28 0.954 -3.785 -13.597 1.00 0.00 C ATOM 413 C TRP A 28 0.325 -4.704 -14.644 1.00 0.00 C ATOM 414 O TRP A 28 -0.898 -4.796 -14.744 1.00 0.00 O ATOM 415 CB TRP A 28 1.931 -4.539 -12.681 1.00 0.00 C ATOM 416 CG TRP A 28 1.431 -5.791 -12.030 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.588 -5.859 -10.978 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.736 -7.174 -12.381 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.318 -7.180 -10.684 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.964 -8.035 -11.551 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.610 -7.789 -13.301 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.989 -9.433 -11.686 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.662 -9.188 -13.432 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.817 -10.008 -12.665 1.00 0.00 C ATOM 0 H TRP A 28 -0.791 -3.779 -12.467 1.00 0.00 H new ATOM 0 HA TRP A 28 1.512 -3.027 -14.147 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.815 -4.792 -13.266 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.253 -3.855 -11.896 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.186 -5.009 -10.447 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.285 -7.486 -9.920 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.251 -7.175 -13.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.381 -10.056 -11.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.357 -9.636 -14.127 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.804 -11.076 -12.827 1.00 0.00 H new ATOM 435 N ALA A 29 1.168 -5.387 -15.421 1.00 0.00 N ATOM 436 CA ALA A 29 0.765 -6.328 -16.455 1.00 0.00 C ATOM 437 C ALA A 29 1.832 -7.407 -16.598 1.00 0.00 C ATOM 438 O ALA A 29 3.007 -7.149 -16.348 1.00 0.00 O ATOM 439 CB ALA A 29 0.589 -5.598 -17.786 1.00 0.00 C ATOM 0 H ALA A 29 2.181 -5.294 -15.341 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.184 -6.786 -16.175 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.287 -6.310 -18.554 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.178 -4.830 -17.681 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.532 -5.132 -18.073 1.00 0.00 H new ATOM 445 N GLU A 30 1.434 -8.601 -17.038 1.00 0.00 N ATOM 446 CA GLU A 30 2.316 -9.750 -17.226 1.00 0.00 C ATOM 447 C GLU A 30 3.509 -9.439 -18.137 1.00 0.00 C ATOM 448 O GLU A 30 4.566 -10.046 -17.991 1.00 0.00 O ATOM 449 CB GLU A 30 1.493 -10.924 -17.768 1.00 0.00 C ATOM 450 CG GLU A 30 0.463 -11.397 -16.731 1.00 0.00 C ATOM 451 CD GLU A 30 -0.659 -12.195 -17.384 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.359 -13.301 -17.882 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.797 -11.672 -17.377 1.00 0.00 O ATOM 0 H GLU A 30 0.463 -8.800 -17.280 1.00 0.00 H new ATOM 0 HA GLU A 30 2.744 -10.014 -16.259 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.982 -10.623 -18.683 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.156 -11.748 -18.030 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.958 -12.011 -15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.044 -10.534 -16.213 1.00 0.00 H new ATOM 460 N TRP A 31 3.345 -8.498 -19.067 1.00 0.00 N ATOM 461 CA TRP A 31 4.375 -8.071 -20.008 1.00 0.00 C ATOM 462 C TRP A 31 5.143 -6.833 -19.514 1.00 0.00 C ATOM 463 O TRP A 31 6.104 -6.404 -20.151 1.00 0.00 O ATOM 464 CB TRP A 31 3.703 -7.810 -21.363 1.00 0.00 C ATOM 465 CG TRP A 31 2.461 -6.966 -21.321 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.200 -7.441 -21.209 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.337 -5.511 -21.368 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.311 -6.390 -21.166 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.952 -5.175 -21.278 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.251 -4.440 -21.471 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.499 -3.848 -21.299 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.806 -3.105 -21.501 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.433 -2.808 -21.424 1.00 0.00 C ATOM 0 H TRP A 31 2.464 -7.998 -19.188 1.00 0.00 H new ATOM 0 HA TRP A 31 5.121 -8.860 -20.104 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.427 -7.327 -22.020 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.453 -8.770 -21.815 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.931 -8.486 -21.161 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.698 -6.498 -21.064 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.309 -4.648 -21.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.556 -3.629 -21.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.524 -2.303 -21.584 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.098 -1.782 -21.461 1.00 0.00 H new ATOM 484 N CYS A 32 4.749 -6.243 -18.382 1.00 0.00 N ATOM 485 CA CYS A 32 5.391 -5.041 -17.867 1.00 0.00 C ATOM 486 C CYS A 32 6.692 -5.368 -17.136 1.00 0.00 C ATOM 487 O CYS A 32 6.717 -5.488 -15.912 1.00 0.00 O ATOM 488 CB CYS A 32 4.443 -4.301 -16.931 1.00 0.00 C ATOM 489 SG CYS A 32 5.164 -2.788 -16.261 1.00 0.00 S ATOM 0 H CYS A 32 3.982 -6.586 -17.804 1.00 0.00 H new ATOM 0 HA CYS A 32 5.634 -4.404 -18.718 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.527 -4.055 -17.468 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.163 -4.960 -16.109 1.00 0.00 H new ATOM 494 N GLY A 33 7.789 -5.510 -17.884 1.00 0.00 N ATOM 495 CA GLY A 33 9.112 -5.773 -17.324 1.00 0.00 C ATOM 496 C GLY A 33 9.416 -4.884 -16.107 1.00 0.00 C ATOM 497 O GLY A 33 9.604 -5.402 -15.005 1.00 0.00 O ATOM 0 H GLY A 33 7.781 -5.445 -18.902 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.179 -6.821 -17.032 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.869 -5.607 -18.091 1.00 0.00 H new ATOM 501 N PRO A 34 9.444 -3.550 -16.272 1.00 0.00 N ATOM 502 CA PRO A 34 9.706 -2.606 -15.191 1.00 0.00 C ATOM 503 C PRO A 34 8.878 -2.868 -13.927 1.00 0.00 C ATOM 504 O PRO A 34 9.373 -2.709 -12.812 1.00 0.00 O ATOM 505 CB PRO A 34 9.415 -1.221 -15.778 1.00 0.00 C ATOM 506 CG PRO A 34 9.725 -1.412 -17.262 1.00 0.00 C ATOM 507 CD PRO A 34 9.236 -2.837 -17.522 1.00 0.00 C ATOM 0 HA PRO A 34 10.737 -2.704 -14.851 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.379 -0.922 -15.616 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.043 -0.451 -15.329 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.202 -0.684 -17.883 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.789 -1.304 -17.471 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.184 -2.845 -17.809 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.792 -3.301 -18.336 1.00 0.00 H new ATOM 515 N CYS A 35 7.620 -3.293 -14.092 1.00 0.00 N ATOM 516 CA CYS A 35 6.746 -3.585 -12.966 1.00 0.00 C ATOM 517 C CYS A 35 7.342 -4.716 -12.127 1.00 0.00 C ATOM 518 O CYS A 35 7.274 -4.681 -10.900 1.00 0.00 O ATOM 519 CB CYS A 35 5.322 -3.955 -13.398 1.00 0.00 C ATOM 520 SG CYS A 35 4.360 -2.746 -14.349 1.00 0.00 S ATOM 0 H CYS A 35 7.188 -3.441 -15.004 1.00 0.00 H new ATOM 0 HA CYS A 35 6.674 -2.673 -12.373 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.383 -4.868 -13.990 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.755 -4.195 -12.498 1.00 0.00 H new ATOM 525 N LYS A 36 7.950 -5.708 -12.784 1.00 0.00 N ATOM 526 CA LYS A 36 8.601 -6.808 -12.098 1.00 0.00 C ATOM 527 C LYS A 36 9.859 -6.276 -11.421 1.00 0.00 C ATOM 528 O LYS A 36 10.088 -6.558 -10.249 1.00 0.00 O ATOM 529 CB LYS A 36 8.952 -7.927 -13.081 1.00 0.00 C ATOM 530 CG LYS A 36 7.730 -8.400 -13.877 1.00 0.00 C ATOM 531 CD LYS A 36 8.218 -9.299 -15.014 1.00 0.00 C ATOM 532 CE LYS A 36 7.070 -9.712 -15.936 1.00 0.00 C ATOM 533 NZ LYS A 36 6.535 -8.564 -16.686 1.00 0.00 N ATOM 0 H LYS A 36 8.000 -5.764 -13.801 1.00 0.00 H new ATOM 0 HA LYS A 36 7.927 -7.227 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.719 -7.576 -13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.376 -8.769 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.043 -8.945 -13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.183 -7.546 -14.276 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.979 -8.775 -15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.690 -10.189 -14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.420 -10.472 -16.635 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.273 -10.164 -15.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.880 -8.903 -17.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.029 -7.930 -16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.318 -8.047 -17.134 1.00 0.00 H new ATOM 547 N MET A 37 10.661 -5.485 -12.147 1.00 0.00 N ATOM 548 CA MET A 37 11.887 -4.905 -11.600 1.00 0.00 C ATOM 549 C MET A 37 11.623 -4.184 -10.274 1.00 0.00 C ATOM 550 O MET A 37 12.429 -4.306 -9.355 1.00 0.00 O ATOM 551 CB MET A 37 12.580 -3.980 -12.611 1.00 0.00 C ATOM 552 CG MET A 37 13.469 -4.734 -13.611 1.00 0.00 C ATOM 553 SD MET A 37 12.650 -5.902 -14.726 1.00 0.00 S ATOM 554 CE MET A 37 14.077 -6.500 -15.658 1.00 0.00 C ATOM 0 H MET A 37 10.478 -5.234 -13.118 1.00 0.00 H new ATOM 0 HA MET A 37 12.569 -5.730 -11.396 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.823 -3.419 -13.159 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.187 -3.253 -12.072 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.994 -3.997 -14.219 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.226 -5.279 -13.047 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.749 -7.233 -16.395 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.556 -5.663 -16.167 1.00 0.00 H new ATOM 0 HE3 MET A 37 14.789 -6.965 -14.975 1.00 0.00 H new ATOM 564 N ILE A 38 10.515 -3.442 -10.152 1.00 0.00 N ATOM 565 CA ILE A 38 10.199 -2.762 -8.893 1.00 0.00 C ATOM 566 C ILE A 38 9.529 -3.682 -7.859 1.00 0.00 C ATOM 567 O ILE A 38 9.398 -3.284 -6.703 1.00 0.00 O ATOM 568 CB ILE A 38 9.389 -1.470 -9.119 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.975 -1.747 -9.652 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.157 -0.513 -10.040 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.073 -0.510 -9.607 1.00 0.00 C ATOM 0 H ILE A 38 9.833 -3.299 -10.897 1.00 0.00 H new ATOM 0 HA ILE A 38 11.159 -2.473 -8.464 1.00 0.00 H new ATOM 0 HB ILE A 38 9.261 -0.991 -8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.042 -2.105 -10.679 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.520 -2.545 -9.065 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.573 0.395 -10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.113 -0.257 -9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.332 -0.995 -11.002 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.087 -0.764 -9.995 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.979 -0.165 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.510 0.281 -10.216 1.00 0.00 H new ATOM 583 N ALA A 39 9.095 -4.895 -8.224 1.00 0.00 N ATOM 584 CA ALA A 39 8.414 -5.789 -7.287 1.00 0.00 C ATOM 585 C ALA A 39 9.185 -5.993 -5.971 1.00 0.00 C ATOM 586 O ALA A 39 8.594 -5.780 -4.913 1.00 0.00 O ATOM 587 CB ALA A 39 7.958 -7.094 -7.951 1.00 0.00 C ATOM 0 H ALA A 39 9.205 -5.278 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 39 7.498 -5.279 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.459 -7.722 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.266 -6.867 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.825 -7.621 -8.350 1.00 0.00 H new ATOM 593 N PRO A 40 10.482 -6.354 -5.983 1.00 0.00 N ATOM 594 CA PRO A 40 11.266 -6.484 -4.761 1.00 0.00 C ATOM 595 C PRO A 40 11.201 -5.210 -3.913 1.00 0.00 C ATOM 596 O PRO A 40 11.055 -5.288 -2.695 1.00 0.00 O ATOM 597 CB PRO A 40 12.704 -6.776 -5.206 1.00 0.00 C ATOM 598 CG PRO A 40 12.518 -7.411 -6.582 1.00 0.00 C ATOM 599 CD PRO A 40 11.321 -6.640 -7.134 1.00 0.00 C ATOM 0 HA PRO A 40 10.875 -7.283 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.302 -5.866 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.211 -7.451 -4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.402 -7.292 -7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.317 -8.480 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.639 -5.721 -7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.782 -7.229 -7.876 1.00 0.00 H new ATOM 607 N ILE A 41 11.282 -4.039 -4.560 1.00 0.00 N ATOM 608 CA ILE A 41 11.206 -2.752 -3.881 1.00 0.00 C ATOM 609 C ILE A 41 9.845 -2.652 -3.192 1.00 0.00 C ATOM 610 O ILE A 41 9.776 -2.391 -1.993 1.00 0.00 O ATOM 611 CB ILE A 41 11.470 -1.572 -4.841 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.795 -1.754 -5.605 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.506 -0.265 -4.036 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.062 -0.625 -6.607 1.00 0.00 C ATOM 0 H ILE A 41 11.402 -3.965 -5.570 1.00 0.00 H new ATOM 0 HA ILE A 41 11.993 -2.689 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 41 10.665 -1.537 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.617 -1.802 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.776 -2.707 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.692 0.572 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.550 -0.121 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.302 -0.317 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 41 14.009 -0.806 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.257 -0.592 -7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.111 0.327 -6.078 1.00 0.00 H new ATOM 626 N LEU A 42 8.762 -2.887 -3.937 1.00 0.00 N ATOM 627 CA LEU A 42 7.416 -2.864 -3.379 1.00 0.00 C ATOM 628 C LEU A 42 7.326 -3.814 -2.178 1.00 0.00 C ATOM 629 O LEU A 42 6.770 -3.449 -1.145 1.00 0.00 O ATOM 630 CB LEU A 42 6.371 -3.217 -4.451 1.00 0.00 C ATOM 631 CG LEU A 42 6.271 -2.205 -5.606 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.348 -2.756 -6.696 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.727 -0.850 -5.138 1.00 0.00 C ATOM 0 H LEU A 42 8.797 -3.096 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 42 7.199 -1.854 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.610 -4.197 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.395 -3.302 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 42 7.278 -2.054 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.279 -2.037 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.751 -3.696 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.355 -2.928 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.673 -0.167 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.731 -0.984 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.390 -0.435 -4.379 1.00 0.00 H new ATOM 645 N ASP A 43 7.879 -5.025 -2.299 1.00 0.00 N ATOM 646 CA ASP A 43 7.866 -6.015 -1.228 1.00 0.00 C ATOM 647 C ASP A 43 8.578 -5.492 0.022 1.00 0.00 C ATOM 648 O ASP A 43 7.984 -5.448 1.100 1.00 0.00 O ATOM 649 CB ASP A 43 8.491 -7.338 -1.697 1.00 0.00 C ATOM 650 CG ASP A 43 7.650 -8.077 -2.732 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.438 -8.242 -2.474 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.238 -8.502 -3.751 1.00 0.00 O ATOM 0 H ASP A 43 8.349 -5.343 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 43 6.825 -6.203 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.476 -7.136 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.641 -7.986 -0.833 1.00 0.00 H new ATOM 657 N GLU A 44 9.851 -5.098 -0.094 1.00 0.00 N ATOM 658 CA GLU A 44 10.581 -4.610 1.072 1.00 0.00 C ATOM 659 C GLU A 44 9.892 -3.378 1.666 1.00 0.00 C ATOM 660 O GLU A 44 9.761 -3.277 2.883 1.00 0.00 O ATOM 661 CB GLU A 44 12.073 -4.413 0.778 1.00 0.00 C ATOM 662 CG GLU A 44 12.378 -3.323 -0.251 1.00 0.00 C ATOM 663 CD GLU A 44 13.858 -3.269 -0.622 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.688 -3.493 0.284 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.139 -2.981 -1.806 1.00 0.00 O ATOM 0 H GLU A 44 10.384 -5.108 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 44 10.552 -5.378 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.585 -4.170 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.488 -5.356 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.787 -3.500 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.071 -2.356 0.147 1.00 0.00 H new ATOM 672 N ILE A 45 9.405 -2.468 0.820 1.00 0.00 N ATOM 673 CA ILE A 45 8.655 -1.304 1.270 1.00 0.00 C ATOM 674 C ILE A 45 7.433 -1.763 2.071 1.00 0.00 C ATOM 675 O ILE A 45 7.178 -1.237 3.154 1.00 0.00 O ATOM 676 CB ILE A 45 8.283 -0.422 0.067 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.519 0.316 -0.485 1.00 0.00 C ATOM 678 CG2 ILE A 45 7.151 0.565 0.367 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.987 1.516 0.346 1.00 0.00 C ATOM 0 H ILE A 45 9.521 -2.521 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 45 9.267 -0.692 1.933 1.00 0.00 H new ATOM 0 HB ILE A 45 7.907 -1.100 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.342 -0.395 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.297 0.659 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.938 1.156 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.257 0.015 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.451 1.227 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.861 1.966 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.186 2.253 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.247 1.183 1.351 1.00 0.00 H new ATOM 691 N ALA A 46 6.686 -2.747 1.560 1.00 0.00 N ATOM 692 CA ALA A 46 5.522 -3.290 2.247 1.00 0.00 C ATOM 693 C ALA A 46 5.903 -3.745 3.654 1.00 0.00 C ATOM 694 O ALA A 46 5.187 -3.456 4.610 1.00 0.00 O ATOM 695 CB ALA A 46 4.891 -4.430 1.439 1.00 0.00 C ATOM 0 H ALA A 46 6.876 -3.186 0.659 1.00 0.00 H new ATOM 0 HA ALA A 46 4.773 -2.504 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.024 -4.818 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.579 -4.056 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.621 -5.228 1.304 1.00 0.00 H new ATOM 701 N ASP A 47 7.040 -4.433 3.794 1.00 0.00 N ATOM 702 CA ASP A 47 7.505 -4.844 5.112 1.00 0.00 C ATOM 703 C ASP A 47 7.853 -3.619 5.963 1.00 0.00 C ATOM 704 O ASP A 47 7.351 -3.463 7.074 1.00 0.00 O ATOM 705 CB ASP A 47 8.702 -5.792 4.996 1.00 0.00 C ATOM 706 CG ASP A 47 9.184 -6.213 6.380 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.525 -7.097 6.968 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.186 -5.623 6.836 1.00 0.00 O ATOM 0 H ASP A 47 7.644 -4.711 3.021 1.00 0.00 H new ATOM 0 HA ASP A 47 6.699 -5.385 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.422 -6.673 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.512 -5.301 4.456 1.00 0.00 H new ATOM 713 N GLU A 48 8.725 -2.749 5.454 1.00 0.00 N ATOM 714 CA GLU A 48 9.198 -1.558 6.146 1.00 0.00 C ATOM 715 C GLU A 48 8.053 -0.702 6.693 1.00 0.00 C ATOM 716 O GLU A 48 8.101 -0.265 7.840 1.00 0.00 O ATOM 717 CB GLU A 48 10.084 -0.758 5.187 1.00 0.00 C ATOM 718 CG GLU A 48 11.422 -1.466 4.926 1.00 0.00 C ATOM 719 CD GLU A 48 12.105 -0.946 3.665 1.00 0.00 C ATOM 720 OE1 GLU A 48 12.000 0.275 3.411 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.731 -1.777 2.974 1.00 0.00 O ATOM 0 H GLU A 48 9.130 -2.859 4.525 1.00 0.00 H new ATOM 0 HA GLU A 48 9.776 -1.867 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.559 -0.612 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.271 0.232 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.082 -1.322 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.253 -2.539 4.831 1.00 0.00 H new ATOM 728 N TYR A 49 7.035 -0.453 5.870 1.00 0.00 N ATOM 729 CA TYR A 49 5.884 0.367 6.233 1.00 0.00 C ATOM 730 C TYR A 49 4.702 -0.487 6.719 1.00 0.00 C ATOM 731 O TYR A 49 3.569 0.001 6.726 1.00 0.00 O ATOM 732 CB TYR A 49 5.483 1.252 5.039 1.00 0.00 C ATOM 733 CG TYR A 49 6.443 2.374 4.675 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.669 2.082 4.050 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.063 3.720 4.857 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.526 3.120 3.651 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.903 4.760 4.417 1.00 0.00 C ATOM 738 CZ TYR A 49 8.141 4.459 3.823 1.00 0.00 C ATOM 739 OH TYR A 49 8.978 5.454 3.413 1.00 0.00 O ATOM 0 H TYR A 49 6.988 -0.821 4.920 1.00 0.00 H new ATOM 0 HA TYR A 49 6.168 1.007 7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.359 0.612 4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.509 1.692 5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.952 1.054 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.124 3.954 5.336 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.484 2.888 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.597 5.789 4.536 1.00 0.00 H new ATOM 0 HH TYR A 49 8.568 6.324 3.600 1.00 0.00 H new ATOM 749 N GLN A 50 4.924 -1.746 7.125 1.00 0.00 N ATOM 750 CA GLN A 50 3.842 -2.610 7.577 1.00 0.00 C ATOM 751 C GLN A 50 2.980 -1.916 8.635 1.00 0.00 C ATOM 752 O GLN A 50 3.496 -1.232 9.517 1.00 0.00 O ATOM 753 CB GLN A 50 4.398 -3.947 8.082 1.00 0.00 C ATOM 754 CG GLN A 50 5.210 -3.828 9.381 1.00 0.00 C ATOM 755 CD GLN A 50 5.910 -5.142 9.702 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.442 -5.925 10.522 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.030 -5.403 9.040 1.00 0.00 N ATOM 0 H GLN A 50 5.846 -2.182 7.147 1.00 0.00 H new ATOM 0 HA GLN A 50 3.193 -2.819 6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.570 -4.637 8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.030 -4.383 7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.948 -3.032 9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.551 -3.551 10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.392 -4.730 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.529 -6.277 9.207 1.00 0.00 H new ATOM 766 N GLY A 51 1.657 -2.054 8.526 1.00 0.00 N ATOM 767 CA GLY A 51 0.728 -1.424 9.452 1.00 0.00 C ATOM 768 C GLY A 51 0.412 0.024 9.072 1.00 0.00 C ATOM 769 O GLY A 51 -0.666 0.508 9.409 1.00 0.00 O ATOM 0 H GLY A 51 1.206 -2.604 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.198 -1.999 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.149 -1.449 10.457 1.00 0.00 H new ATOM 773 N LYS A 52 1.315 0.717 8.367 1.00 0.00 N ATOM 774 CA LYS A 52 1.106 2.097 7.950 1.00 0.00 C ATOM 775 C LYS A 52 0.644 2.117 6.497 1.00 0.00 C ATOM 776 O LYS A 52 -0.364 2.741 6.173 1.00 0.00 O ATOM 777 CB LYS A 52 2.403 2.906 8.108 1.00 0.00 C ATOM 778 CG LYS A 52 2.903 2.903 9.558 1.00 0.00 C ATOM 779 CD LYS A 52 4.174 3.745 9.737 1.00 0.00 C ATOM 780 CE LYS A 52 3.932 5.242 9.495 1.00 0.00 C ATOM 781 NZ LYS A 52 5.117 6.041 9.848 1.00 0.00 N ATOM 0 H LYS A 52 2.211 0.330 8.072 1.00 0.00 H new ATOM 0 HA LYS A 52 0.342 2.552 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.172 2.490 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.233 3.933 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.120 3.288 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.102 1.878 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.560 3.602 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.941 3.389 9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.679 5.407 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.078 5.574 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.922 7.047 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.343 5.902 10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.925 5.739 9.267 1.00 0.00 H new ATOM 795 N LEU A 53 1.385 1.428 5.626 1.00 0.00 N ATOM 796 CA LEU A 53 1.112 1.333 4.203 1.00 0.00 C ATOM 797 C LEU A 53 0.759 -0.109 3.861 1.00 0.00 C ATOM 798 O LEU A 53 1.471 -1.036 4.242 1.00 0.00 O ATOM 799 CB LEU A 53 2.362 1.755 3.427 1.00 0.00 C ATOM 800 CG LEU A 53 2.116 1.918 1.921 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.365 3.224 1.635 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.474 1.928 1.218 1.00 0.00 C ATOM 0 H LEU A 53 2.216 0.907 5.907 1.00 0.00 H new ATOM 0 HA LEU A 53 0.280 1.985 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.731 2.697 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.145 1.013 3.582 1.00 0.00 H new ATOM 0 HG LEU A 53 1.504 1.094 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.200 3.321 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.404 3.212 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.956 4.069 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.327 2.043 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.072 2.759 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.993 0.990 1.415 1.00 0.00 H new ATOM 814 N THR A 54 -0.326 -0.291 3.115 1.00 0.00 N ATOM 815 CA THR A 54 -0.785 -1.580 2.637 1.00 0.00 C ATOM 816 C THR A 54 -0.468 -1.610 1.142 1.00 0.00 C ATOM 817 O THR A 54 -1.154 -0.977 0.340 1.00 0.00 O ATOM 818 CB THR A 54 -2.281 -1.679 2.965 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.445 -1.607 4.365 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.920 -2.975 2.469 1.00 0.00 C ATOM 0 H THR A 54 -0.924 0.481 2.820 1.00 0.00 H new ATOM 0 HA THR A 54 -0.303 -2.441 3.101 1.00 0.00 H new ATOM 0 HB THR A 54 -2.777 -0.854 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.398 -1.668 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.978 -2.983 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.815 -3.041 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.424 -3.827 2.934 1.00 0.00 H new ATOM 828 N VAL A 55 0.595 -2.308 0.742 1.00 0.00 N ATOM 829 CA VAL A 55 0.969 -2.351 -0.661 1.00 0.00 C ATOM 830 C VAL A 55 0.053 -3.353 -1.361 1.00 0.00 C ATOM 831 O VAL A 55 -0.320 -4.381 -0.795 1.00 0.00 O ATOM 832 CB VAL A 55 2.454 -2.707 -0.801 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.890 -2.733 -2.270 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.328 -1.675 -0.078 1.00 0.00 C ATOM 0 H VAL A 55 1.201 -2.843 1.364 1.00 0.00 H new ATOM 0 HA VAL A 55 0.843 -1.377 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 55 2.581 -3.696 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.948 -2.989 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.305 -3.477 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.728 -1.751 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.378 -1.946 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.160 -0.689 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.068 -1.656 0.980 1.00 0.00 H new ATOM 844 N ALA A 56 -0.334 -3.044 -2.594 1.00 0.00 N ATOM 845 CA ALA A 56 -1.213 -3.877 -3.381 1.00 0.00 C ATOM 846 C ALA A 56 -0.751 -3.866 -4.831 1.00 0.00 C ATOM 847 O ALA A 56 -0.009 -2.981 -5.252 1.00 0.00 O ATOM 848 CB ALA A 56 -2.651 -3.380 -3.221 1.00 0.00 C ATOM 0 H ALA A 56 -0.037 -2.194 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.181 -4.911 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.320 -4.005 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.939 -3.433 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.720 -2.348 -3.565 1.00 0.00 H new ATOM 854 N LYS A 57 -1.187 -4.861 -5.596 1.00 0.00 N ATOM 855 CA LYS A 57 -0.888 -5.017 -7.004 1.00 0.00 C ATOM 856 C LYS A 57 -2.172 -5.405 -7.727 1.00 0.00 C ATOM 857 O LYS A 57 -3.015 -6.105 -7.164 1.00 0.00 O ATOM 858 CB LYS A 57 0.170 -6.108 -7.197 1.00 0.00 C ATOM 859 CG LYS A 57 1.611 -5.595 -7.179 1.00 0.00 C ATOM 860 CD LYS A 57 2.537 -6.805 -7.384 1.00 0.00 C ATOM 861 CE LYS A 57 4.016 -6.449 -7.507 1.00 0.00 C ATOM 862 NZ LYS A 57 4.301 -5.620 -8.692 1.00 0.00 N ATOM 0 H LYS A 57 -1.781 -5.607 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.498 -4.083 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.052 -6.855 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.013 -6.612 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.765 -4.857 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.830 -5.101 -6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.409 -7.492 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.227 -7.337 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.334 -5.917 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.604 -7.365 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.328 -5.477 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.947 -6.099 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.830 -4.698 -8.592 1.00 0.00 H new ATOM 876 N LEU A 58 -2.303 -4.964 -8.978 1.00 0.00 N ATOM 877 CA LEU A 58 -3.439 -5.294 -9.822 1.00 0.00 C ATOM 878 C LEU A 58 -2.934 -5.534 -11.239 1.00 0.00 C ATOM 879 O LEU A 58 -2.252 -4.678 -11.802 1.00 0.00 O ATOM 880 CB LEU A 58 -4.488 -4.179 -9.730 1.00 0.00 C ATOM 881 CG LEU A 58 -5.716 -4.448 -10.618 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.965 -3.896 -9.932 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.578 -3.759 -11.982 1.00 0.00 C ATOM 0 H LEU A 58 -1.615 -4.363 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.932 -6.208 -9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.810 -4.072 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.033 -3.232 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.793 -5.525 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.837 -4.085 -10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.097 -4.387 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.852 -2.822 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.461 -3.968 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.483 -2.683 -11.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.692 -4.136 -12.492 1.00 0.00 H new ATOM 895 N ASN A 59 -3.260 -6.699 -11.808 1.00 0.00 N ATOM 896 CA ASN A 59 -2.875 -7.047 -13.168 1.00 0.00 C ATOM 897 C ASN A 59 -3.952 -6.530 -14.120 1.00 0.00 C ATOM 898 O ASN A 59 -5.057 -7.079 -14.164 1.00 0.00 O ATOM 899 CB ASN A 59 -2.685 -8.559 -13.322 1.00 0.00 C ATOM 900 CG ASN A 59 -2.378 -8.937 -14.771 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.179 -8.086 -15.634 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.370 -10.227 -15.068 1.00 0.00 N ATOM 0 H ASN A 59 -3.799 -7.424 -11.333 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.918 -6.583 -13.406 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.872 -8.893 -12.677 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.586 -9.076 -12.992 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.197 -10.529 -16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.537 -10.919 -14.338 1.00 0.00 H new ATOM 909 N ILE A 60 -3.626 -5.486 -14.882 1.00 0.00 N ATOM 910 CA ILE A 60 -4.533 -4.870 -15.839 1.00 0.00 C ATOM 911 C ILE A 60 -4.918 -5.827 -16.968 1.00 0.00 C ATOM 912 O ILE A 60 -5.990 -5.674 -17.545 1.00 0.00 O ATOM 913 CB ILE A 60 -3.961 -3.545 -16.374 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.696 -3.741 -17.227 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.681 -2.585 -15.209 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.996 -3.741 -18.728 1.00 0.00 C ATOM 0 H ILE A 60 -2.709 -5.041 -14.848 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.455 -4.636 -15.307 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.715 -3.113 -17.031 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.983 -2.947 -17.002 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.220 -4.683 -16.955 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.276 -1.650 -15.597 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.608 -2.384 -14.672 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.959 -3.038 -14.529 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.069 -3.883 -19.284 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.687 -4.551 -18.961 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.446 -2.789 -19.009 1.00 0.00 H new ATOM 928 N ASP A 61 -4.083 -6.825 -17.290 1.00 0.00 N ATOM 929 CA ASP A 61 -4.422 -7.778 -18.346 1.00 0.00 C ATOM 930 C ASP A 61 -5.698 -8.519 -17.955 1.00 0.00 C ATOM 931 O ASP A 61 -6.620 -8.664 -18.752 1.00 0.00 O ATOM 932 CB ASP A 61 -3.296 -8.795 -18.575 1.00 0.00 C ATOM 933 CG ASP A 61 -1.978 -8.172 -19.019 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.018 -7.302 -19.918 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.941 -8.590 -18.459 1.00 0.00 O ATOM 0 H ASP A 61 -3.182 -6.989 -16.840 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.567 -7.223 -19.273 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.130 -9.352 -17.653 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.618 -9.514 -19.328 1.00 0.00 H new ATOM 940 N GLN A 62 -5.740 -8.979 -16.703 1.00 0.00 N ATOM 941 CA GLN A 62 -6.883 -9.682 -16.148 1.00 0.00 C ATOM 942 C GLN A 62 -7.996 -8.694 -15.798 1.00 0.00 C ATOM 943 O GLN A 62 -9.173 -9.028 -15.904 1.00 0.00 O ATOM 944 CB GLN A 62 -6.446 -10.457 -14.899 1.00 0.00 C ATOM 945 CG GLN A 62 -5.516 -11.625 -15.242 1.00 0.00 C ATOM 946 CD GLN A 62 -4.967 -12.269 -13.972 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.818 -12.044 -13.597 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.784 -13.061 -13.284 1.00 0.00 N ATOM 0 H GLN A 62 -4.969 -8.869 -16.044 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.269 -10.382 -16.889 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.939 -9.780 -14.212 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.327 -10.836 -14.381 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.058 -12.368 -15.827 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.692 -11.270 -15.861 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.732 -13.230 -13.619 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.462 -13.500 -12.421 1.00 0.00 H new ATOM 957 N ASN A 63 -7.623 -7.496 -15.338 1.00 0.00 N ATOM 958 CA ASN A 63 -8.553 -6.476 -14.859 1.00 0.00 C ATOM 959 C ASN A 63 -8.423 -5.180 -15.667 1.00 0.00 C ATOM 960 O ASN A 63 -7.959 -4.172 -15.133 1.00 0.00 O ATOM 961 CB ASN A 63 -8.269 -6.225 -13.373 1.00 0.00 C ATOM 962 CG ASN A 63 -8.254 -7.505 -12.553 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.288 -7.944 -12.057 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.078 -8.113 -12.405 1.00 0.00 N ATOM 0 H ASN A 63 -6.647 -7.205 -15.288 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.577 -6.827 -14.988 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.307 -5.722 -13.271 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.025 -5.550 -12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.014 -8.975 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.241 -7.716 -12.833 1.00 0.00 H new ATOM 971 N PRO A 64 -8.821 -5.166 -16.948 1.00 0.00 N ATOM 972 CA PRO A 64 -8.678 -3.993 -17.795 1.00 0.00 C ATOM 973 C PRO A 64 -9.507 -2.810 -17.294 1.00 0.00 C ATOM 974 O PRO A 64 -8.974 -1.717 -17.138 1.00 0.00 O ATOM 975 CB PRO A 64 -9.076 -4.446 -19.204 1.00 0.00 C ATOM 976 CG PRO A 64 -9.968 -5.667 -18.969 1.00 0.00 C ATOM 977 CD PRO A 64 -9.384 -6.279 -17.696 1.00 0.00 C ATOM 0 HA PRO A 64 -7.654 -3.619 -17.785 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.610 -3.660 -19.739 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.201 -4.701 -19.802 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.013 -5.385 -18.839 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.928 -6.363 -19.807 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.154 -6.790 -17.118 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.619 -7.019 -17.932 1.00 0.00 H new ATOM 985 N GLY A 65 -10.805 -3.025 -17.052 1.00 0.00 N ATOM 986 CA GLY A 65 -11.756 -2.001 -16.619 1.00 0.00 C ATOM 987 C GLY A 65 -11.228 -1.075 -15.522 1.00 0.00 C ATOM 988 O GLY A 65 -11.503 0.127 -15.522 1.00 0.00 O ATOM 0 H GLY A 65 -11.233 -3.945 -17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.040 -1.398 -17.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.661 -2.491 -16.260 1.00 0.00 H new ATOM 992 N THR A 66 -10.466 -1.624 -14.577 1.00 0.00 N ATOM 993 CA THR A 66 -9.918 -0.865 -13.472 1.00 0.00 C ATOM 994 C THR A 66 -8.983 0.257 -13.942 1.00 0.00 C ATOM 995 O THR A 66 -8.911 1.302 -13.298 1.00 0.00 O ATOM 996 CB THR A 66 -9.254 -1.831 -12.481 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.879 -3.095 -12.569 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.421 -1.317 -11.049 1.00 0.00 C ATOM 0 H THR A 66 -10.215 -2.612 -14.563 1.00 0.00 H new ATOM 0 HA THR A 66 -10.728 -0.350 -12.955 1.00 0.00 H new ATOM 0 HB THR A 66 -8.195 -1.907 -12.726 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.849 -2.988 -12.477 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.946 -2.011 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.954 -0.336 -10.958 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.482 -1.237 -10.812 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.272 0.066 -15.060 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.369 1.089 -15.577 1.00 0.00 C ATOM 1008 C ALA A 67 -8.152 2.365 -15.937 1.00 0.00 C ATOM 1009 O ALA A 67 -7.948 3.381 -15.268 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.437 0.532 -16.664 1.00 0.00 C ATOM 0 H ALA A 67 -8.308 -0.786 -15.619 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.676 1.402 -14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.781 1.325 -17.022 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.835 -0.276 -16.248 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.033 0.151 -17.494 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.060 2.358 -16.933 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.906 3.505 -17.230 1.00 0.00 C ATOM 1018 C PRO A 68 -10.598 4.061 -15.980 1.00 0.00 C ATOM 1019 O PRO A 68 -10.603 5.276 -15.789 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.938 3.021 -18.252 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.197 1.903 -18.974 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.373 1.275 -17.853 1.00 0.00 C ATOM 0 HA PRO A 68 -9.303 4.326 -17.619 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.846 2.659 -17.770 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.235 3.817 -18.935 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.883 1.186 -19.424 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.566 2.286 -19.776 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.933 0.486 -17.351 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.463 0.820 -18.245 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.178 3.194 -15.132 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.874 3.625 -13.918 1.00 0.00 C ATOM 1032 C LYS A 69 -11.069 4.636 -13.095 1.00 0.00 C ATOM 1033 O LYS A 69 -11.644 5.608 -12.611 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.266 2.420 -13.052 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.530 1.729 -13.580 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.797 0.371 -12.909 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.733 0.401 -11.376 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.670 1.381 -10.800 1.00 0.00 N ATOM 0 H LYS A 69 -11.175 2.184 -15.271 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.779 4.135 -14.249 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.443 1.705 -13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.432 2.748 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.388 2.382 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.436 1.584 -14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.782 0.016 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.070 -0.352 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.961 -0.591 -10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.718 0.642 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.630 1.331 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.407 2.338 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.636 1.167 -11.119 1.00 0.00 H new ATOM 1130 N ILE A 75 1.944 1.901 -17.142 1.00 0.00 N ATOM 1131 CA ILE A 75 2.288 0.974 -16.072 1.00 0.00 C ATOM 1132 C ILE A 75 3.817 0.898 -15.973 1.00 0.00 C ATOM 1133 O ILE A 75 4.477 0.987 -17.010 1.00 0.00 O ATOM 1134 CB ILE A 75 1.640 -0.405 -16.296 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.982 -0.993 -17.674 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.119 -0.344 -16.083 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.346 -2.367 -17.865 1.00 0.00 C ATOM 0 HA ILE A 75 1.892 1.334 -15.122 1.00 0.00 H new ATOM 0 HB ILE A 75 2.062 -1.078 -15.550 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.635 -0.318 -18.456 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.064 -1.073 -17.779 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.311 -1.332 -16.248 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.093 -0.021 -15.064 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.319 0.364 -16.786 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.607 -2.755 -18.849 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.713 -3.048 -17.097 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.262 -2.281 -17.785 1.00 0.00 H new ATOM 1149 N PRO A 76 4.403 0.747 -14.772 1.00 0.00 N ATOM 1150 CA PRO A 76 3.723 0.659 -13.488 1.00 0.00 C ATOM 1151 C PRO A 76 3.142 2.019 -13.097 1.00 0.00 C ATOM 1152 O PRO A 76 3.735 3.046 -13.413 1.00 0.00 O ATOM 1153 CB PRO A 76 4.803 0.258 -12.477 1.00 0.00 C ATOM 1154 CG PRO A 76 6.092 0.801 -13.094 1.00 0.00 C ATOM 1155 CD PRO A 76 5.843 0.672 -14.596 1.00 0.00 C ATOM 0 HA PRO A 76 2.900 -0.055 -13.522 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.614 0.692 -11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.846 -0.823 -12.344 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.272 1.836 -12.803 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.962 0.225 -12.779 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.345 1.469 -15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.234 -0.272 -14.976 1.00 0.00 H new ATOM 1163 N THR A 77 2.009 2.019 -12.394 1.00 0.00 N ATOM 1164 CA THR A 77 1.423 3.228 -11.832 1.00 0.00 C ATOM 1165 C THR A 77 1.059 2.889 -10.397 1.00 0.00 C ATOM 1166 O THR A 77 0.324 1.927 -10.172 1.00 0.00 O ATOM 1167 CB THR A 77 0.228 3.764 -12.633 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.649 4.136 -13.926 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.323 5.037 -11.979 1.00 0.00 C ATOM 0 H THR A 77 1.472 1.174 -12.200 1.00 0.00 H new ATOM 0 HA THR A 77 2.140 4.048 -11.875 1.00 0.00 H new ATOM 0 HB THR A 77 -0.528 2.979 -12.666 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.117 4.476 -14.434 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.170 5.406 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.648 4.813 -10.963 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.457 5.798 -11.951 1.00 0.00 H new ATOM 1177 N LEU A 78 1.596 3.653 -9.442 1.00 0.00 N ATOM 1178 CA LEU A 78 1.403 3.441 -8.022 1.00 0.00 C ATOM 1179 C LEU A 78 0.331 4.420 -7.552 1.00 0.00 C ATOM 1180 O LEU A 78 0.623 5.599 -7.348 1.00 0.00 O ATOM 1181 CB LEU A 78 2.732 3.632 -7.270 1.00 0.00 C ATOM 1182 CG LEU A 78 3.963 3.012 -7.956 1.00 0.00 C ATOM 1183 CD1 LEU A 78 5.216 3.315 -7.129 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.812 1.498 -8.104 1.00 0.00 C ATOM 0 H LEU A 78 2.191 4.455 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 78 1.074 2.422 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.907 4.700 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.634 3.200 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 78 4.053 3.448 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.087 2.876 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.349 4.394 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.105 2.891 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.697 1.090 -8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.700 1.046 -7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.931 1.277 -8.707 1.00 0.00 H new ATOM 1196 N LEU A 79 -0.905 3.942 -7.403 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.027 4.757 -6.957 1.00 0.00 C ATOM 1198 C LEU A 79 -2.139 4.620 -5.446 1.00 0.00 C ATOM 1199 O LEU A 79 -2.442 3.536 -4.945 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.332 4.346 -7.645 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.381 4.764 -9.123 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.971 3.614 -10.037 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -4.801 5.202 -9.498 1.00 0.00 C ATOM 0 H LEU A 79 -1.154 2.971 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.851 5.798 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.451 3.265 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.173 4.795 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.682 5.590 -9.254 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.016 3.941 -11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.954 3.304 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.650 2.774 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.826 5.496 -10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.492 4.374 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.097 6.047 -8.877 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.884 5.711 -4.724 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.926 5.743 -3.274 1.00 0.00 C ATOM 1217 C LEU A 80 -3.311 6.191 -2.810 1.00 0.00 C ATOM 1218 O LEU A 80 -3.599 7.385 -2.754 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.784 6.626 -2.767 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.716 6.755 -1.237 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.838 5.413 -0.508 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.629 7.392 -0.879 1.00 0.00 C ATOM 0 H LEU A 80 -1.639 6.608 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.773 4.751 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.161 6.220 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.890 7.621 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.561 7.364 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.782 5.577 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.793 4.950 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.025 4.756 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.706 7.496 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.439 6.759 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.701 8.375 -1.344 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.156 5.221 -2.468 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.503 5.420 -1.968 1.00 0.00 C ATOM 1236 C PHE A 81 -5.445 5.614 -0.453 1.00 0.00 C ATOM 1237 O PHE A 81 -5.268 4.641 0.278 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.375 4.199 -2.297 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.758 4.057 -3.757 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.858 3.486 -4.673 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.054 4.401 -4.183 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.247 3.274 -6.007 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.453 4.169 -5.509 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.536 3.640 -6.432 1.00 0.00 C ATOM 0 H PHE A 81 -3.904 4.235 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.939 6.300 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.844 3.299 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.287 4.252 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.865 3.209 -4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.747 4.847 -3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.555 2.829 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.462 4.397 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.821 3.515 -7.466 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.465 7.283 -1.040 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.328 8.460 -1.890 1.00 0.00 C ATOM 1299 C GLU A 85 -7.936 8.482 -2.524 1.00 0.00 C ATOM 1300 O GLU A 85 -6.937 8.482 -1.805 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.553 9.728 -1.056 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.926 9.729 -0.370 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.148 11.018 0.411 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.559 12.006 -0.234 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -10.894 10.996 1.635 1.00 0.00 O ATOM 0 HA GLU A 85 -10.074 8.422 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.771 9.809 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.468 10.604 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.710 9.614 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.000 8.875 0.303 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.854 8.509 -3.858 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.582 8.570 -4.570 1.00 0.00 C ATOM 1314 C VAL A 86 -5.867 9.877 -4.212 1.00 0.00 C ATOM 1315 O VAL A 86 -6.262 10.943 -4.678 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.804 8.451 -6.090 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.470 8.503 -6.849 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.485 7.126 -6.445 1.00 0.00 C ATOM 0 H VAL A 86 -8.669 8.489 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.955 7.732 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.436 9.290 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.657 8.417 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.971 9.450 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.834 7.679 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.629 7.069 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.859 6.296 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.452 7.069 -5.946 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.817 9.797 -3.396 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.032 10.948 -2.979 1.00 0.00 C ATOM 1330 C ALA A 87 -3.054 11.338 -4.085 1.00 0.00 C ATOM 1331 O ALA A 87 -2.895 12.519 -4.384 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.290 10.619 -1.682 1.00 0.00 C ATOM 0 H ALA A 87 -4.486 8.916 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.693 11.795 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.702 11.482 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.011 10.371 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.628 9.769 -1.847 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.400 10.347 -4.700 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.447 10.568 -5.776 1.00 0.00 C ATOM 1340 C ALA A 88 -1.301 9.294 -6.604 1.00 0.00 C ATOM 1341 O ALA A 88 -1.578 8.197 -6.110 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.094 10.993 -5.198 1.00 0.00 C ATOM 0 H ALA A 88 -2.523 9.364 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.811 11.366 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.614 11.156 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.214 11.916 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.283 10.210 -4.541 1.00 0.00 H new ATOM 1348 N THR A 89 -0.872 9.455 -7.859 1.00 0.00 N ATOM 1349 CA THR A 89 -0.667 8.383 -8.819 1.00 0.00 C ATOM 1350 C THR A 89 0.748 8.510 -9.390 1.00 0.00 C ATOM 1351 O THR A 89 0.960 9.332 -10.283 1.00 0.00 O ATOM 1352 CB THR A 89 -1.742 8.468 -9.918 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.653 9.679 -10.648 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.151 8.419 -9.323 1.00 0.00 C ATOM 0 H THR A 89 -0.651 10.374 -8.242 1.00 0.00 H new ATOM 0 HA THR A 89 -0.762 7.407 -8.344 1.00 0.00 H new ATOM 0 HB THR A 89 -1.564 7.614 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.711 9.892 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.887 8.481 -10.125 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.284 7.483 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.287 9.258 -8.640 1.00 0.00 H new ATOM 1362 N LYS A 90 1.718 7.727 -8.909 1.00 0.00 N ATOM 1363 CA LYS A 90 3.071 7.820 -9.442 1.00 0.00 C ATOM 1364 C LYS A 90 3.163 6.919 -10.665 1.00 0.00 C ATOM 1365 O LYS A 90 3.221 5.701 -10.522 1.00 0.00 O ATOM 1366 CB LYS A 90 4.119 7.468 -8.381 1.00 0.00 C ATOM 1367 CG LYS A 90 5.542 7.346 -8.958 1.00 0.00 C ATOM 1368 CD LYS A 90 6.001 8.602 -9.717 1.00 0.00 C ATOM 1369 CE LYS A 90 7.448 8.489 -10.215 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.613 7.403 -11.197 1.00 0.00 N ATOM 0 H LYS A 90 1.592 7.038 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 90 3.285 8.847 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.112 8.232 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.844 6.527 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.240 7.146 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.582 6.489 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.340 8.772 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.911 9.471 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.751 9.434 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.110 8.314 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.593 7.395 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.398 6.491 -10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.964 7.555 -11.995 1.00 0.00 H new ATOM 1384 N VAL A 91 3.181 7.522 -11.855 1.00 0.00 N ATOM 1385 CA VAL A 91 3.318 6.814 -13.118 1.00 0.00 C ATOM 1386 C VAL A 91 4.811 6.587 -13.368 1.00 0.00 C ATOM 1387 O VAL A 91 5.607 7.515 -13.229 1.00 0.00 O ATOM 1388 CB VAL A 91 2.679 7.631 -14.259 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.794 6.891 -15.599 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.195 7.912 -13.992 1.00 0.00 C ATOM 0 H VAL A 91 3.099 8.533 -11.964 1.00 0.00 H new ATOM 0 HA VAL A 91 2.802 5.855 -13.079 1.00 0.00 H new ATOM 0 HB VAL A 91 3.223 8.574 -14.306 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.335 7.490 -16.386 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.845 6.726 -15.835 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.283 5.931 -15.529 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.780 8.490 -14.818 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.656 6.969 -13.902 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.093 8.478 -13.066 1.00 0.00 H new ATOM 1400 N GLY A 92 5.189 5.363 -13.737 1.00 0.00 N ATOM 1401 CA GLY A 92 6.561 4.986 -14.027 1.00 0.00 C ATOM 1402 C GLY A 92 7.296 4.490 -12.782 1.00 0.00 C ATOM 1403 O GLY A 92 6.853 4.689 -11.650 1.00 0.00 O ATOM 0 H GLY A 92 4.529 4.592 -13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.569 4.205 -14.787 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.091 5.842 -14.444 1.00 0.00 H new ATOM 1407 N ALA A 93 8.438 3.837 -13.007 1.00 0.00 N ATOM 1408 CA ALA A 93 9.285 3.324 -11.940 1.00 0.00 C ATOM 1409 C ALA A 93 10.018 4.477 -11.244 1.00 0.00 C ATOM 1410 O ALA A 93 9.995 5.616 -11.709 1.00 0.00 O ATOM 1411 CB ALA A 93 10.272 2.308 -12.525 1.00 0.00 C ATOM 0 H ALA A 93 8.799 3.651 -13.942 1.00 0.00 H new ATOM 0 HA ALA A 93 8.672 2.823 -11.190 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.909 1.920 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.720 1.486 -12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.889 2.794 -13.280 1.00 0.00 H new ATOM 1417 N LEU A 94 10.685 4.167 -10.132 1.00 0.00 N ATOM 1418 CA LEU A 94 11.454 5.098 -9.322 1.00 0.00 C ATOM 1419 C LEU A 94 12.334 4.280 -8.381 1.00 0.00 C ATOM 1420 O LEU A 94 12.142 3.069 -8.265 1.00 0.00 O ATOM 1421 CB LEU A 94 10.540 6.079 -8.568 1.00 0.00 C ATOM 1422 CG LEU A 94 9.694 5.472 -7.433 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.938 6.608 -6.737 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.678 4.424 -7.906 1.00 0.00 C ATOM 0 H LEU A 94 10.702 3.218 -9.759 1.00 0.00 H new ATOM 0 HA LEU A 94 12.085 5.720 -9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.158 6.873 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.867 6.545 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 94 10.383 4.958 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.332 6.200 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.652 7.324 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.292 7.110 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.122 4.044 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.987 4.881 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.203 3.601 -8.391 1.00 0.00 H new ATOM 1436 N SER A 95 13.296 4.927 -7.721 1.00 0.00 N ATOM 1437 CA SER A 95 14.198 4.252 -6.801 1.00 0.00 C ATOM 1438 C SER A 95 13.503 3.992 -5.466 1.00 0.00 C ATOM 1439 O SER A 95 12.487 4.616 -5.148 1.00 0.00 O ATOM 1440 CB SER A 95 15.437 5.128 -6.582 1.00 0.00 C ATOM 1441 OG SER A 95 15.078 6.283 -5.848 1.00 0.00 O ATOM 0 H SER A 95 13.467 5.928 -7.812 1.00 0.00 H new ATOM 0 HA SER A 95 14.494 3.293 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.201 4.567 -6.045 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.867 5.414 -7.542 1.00 0.00 H new ATOM 0 HG SER A 95 15.486 7.073 -6.261 1.00 0.00 H new ATOM 1447 N LYS A 96 14.090 3.111 -4.651 1.00 0.00 N ATOM 1448 CA LYS A 96 13.595 2.858 -3.309 1.00 0.00 C ATOM 1449 C LYS A 96 13.560 4.184 -2.544 1.00 0.00 C ATOM 1450 O LYS A 96 12.562 4.508 -1.913 1.00 0.00 O ATOM 1451 CB LYS A 96 14.486 1.818 -2.614 1.00 0.00 C ATOM 1452 CG LYS A 96 13.942 1.453 -1.226 1.00 0.00 C ATOM 1453 CD LYS A 96 14.852 0.430 -0.540 1.00 0.00 C ATOM 1454 CE LYS A 96 14.283 0.073 0.838 1.00 0.00 C ATOM 1455 NZ LYS A 96 15.113 -0.926 1.532 1.00 0.00 N ATOM 0 H LYS A 96 14.912 2.563 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 96 12.585 2.450 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.548 0.921 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.499 2.210 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.867 2.350 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.935 1.046 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.934 -0.467 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.858 0.837 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.214 0.974 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.270 -0.313 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.635 -1.229 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.256 -1.749 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.035 -0.507 1.770 1.00 0.00 H new ATOM 1469 N GLY A 97 14.645 4.962 -2.622 1.00 0.00 N ATOM 1470 CA GLY A 97 14.744 6.257 -1.965 1.00 0.00 C ATOM 1471 C GLY A 97 13.598 7.178 -2.376 1.00 0.00 C ATOM 1472 O GLY A 97 12.850 7.657 -1.522 1.00 0.00 O ATOM 0 H GLY A 97 15.480 4.704 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.733 6.120 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.696 6.723 -2.218 1.00 0.00 H new ATOM 1476 N GLN A 98 13.434 7.419 -3.681 1.00 0.00 N ATOM 1477 CA GLN A 98 12.361 8.279 -4.159 1.00 0.00 C ATOM 1478 C GLN A 98 10.999 7.736 -3.714 1.00 0.00 C ATOM 1479 O GLN A 98 10.131 8.513 -3.319 1.00 0.00 O ATOM 1480 CB GLN A 98 12.458 8.491 -5.674 1.00 0.00 C ATOM 1481 CG GLN A 98 13.428 9.624 -6.046 1.00 0.00 C ATOM 1482 CD GLN A 98 14.889 9.349 -5.699 1.00 0.00 C ATOM 1483 OE1 GLN A 98 15.635 8.818 -6.518 1.00 0.00 O ATOM 1484 NE2 GLN A 98 15.330 9.695 -4.494 1.00 0.00 N ATOM 0 H GLN A 98 14.028 7.032 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 98 12.469 9.265 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.786 7.566 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.468 8.719 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.352 9.813 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.113 10.536 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.697 10.135 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.302 9.521 -4.237 1.00 0.00 H new ATOM 1493 N LEU A 99 10.806 6.414 -3.747 1.00 0.00 N ATOM 1494 CA LEU A 99 9.562 5.817 -3.285 1.00 0.00 C ATOM 1495 C LEU A 99 9.344 6.134 -1.804 1.00 0.00 C ATOM 1496 O LEU A 99 8.270 6.602 -1.437 1.00 0.00 O ATOM 1497 CB LEU A 99 9.537 4.316 -3.607 1.00 0.00 C ATOM 1498 CG LEU A 99 8.239 3.597 -3.202 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.969 4.271 -3.737 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.285 2.168 -3.752 1.00 0.00 C ATOM 0 H LEU A 99 11.496 5.744 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 99 8.718 6.254 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.691 4.185 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.376 3.835 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 99 8.187 3.626 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.094 3.709 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.909 5.290 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.001 4.294 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.372 1.642 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.370 2.199 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.146 1.645 -3.335 1.00 0.00 H new ATOM 1512 N LYS A 100 10.353 5.931 -0.951 1.00 0.00 N ATOM 1513 CA LYS A 100 10.247 6.257 0.467 1.00 0.00 C ATOM 1514 C LYS A 100 9.869 7.726 0.656 1.00 0.00 C ATOM 1515 O LYS A 100 8.956 8.031 1.423 1.00 0.00 O ATOM 1516 CB LYS A 100 11.545 5.943 1.217 1.00 0.00 C ATOM 1517 CG LYS A 100 11.776 4.434 1.359 1.00 0.00 C ATOM 1518 CD LYS A 100 12.958 4.130 2.290 1.00 0.00 C ATOM 1519 CE LYS A 100 12.518 3.826 3.731 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.735 4.920 4.333 1.00 0.00 N ATOM 0 H LYS A 100 11.255 5.540 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 100 9.458 5.633 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.387 6.390 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.511 6.399 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.874 3.962 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.964 4.000 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.514 3.279 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.639 4.981 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.923 2.913 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.400 3.637 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.625 4.748 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.230 5.823 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.797 4.963 3.886 1.00 0.00 H new ATOM 1534 N GLU A 101 10.561 8.632 -0.045 1.00 0.00 N ATOM 1535 CA GLU A 101 10.281 10.061 0.024 1.00 0.00 C ATOM 1536 C GLU A 101 8.822 10.332 -0.357 1.00 0.00 C ATOM 1537 O GLU A 101 8.100 10.990 0.387 1.00 0.00 O ATOM 1538 CB GLU A 101 11.243 10.836 -0.886 1.00 0.00 C ATOM 1539 CG GLU A 101 12.681 10.805 -0.354 1.00 0.00 C ATOM 1540 CD GLU A 101 13.644 11.476 -1.329 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.980 10.820 -2.341 1.00 0.00 O ATOM 1542 OE2 GLU A 101 14.017 12.635 -1.055 1.00 0.00 O ATOM 0 H GLU A 101 11.328 8.391 -0.673 1.00 0.00 H new ATOM 0 HA GLU A 101 10.434 10.404 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.217 10.410 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.909 11.870 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.726 11.310 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.988 9.772 -0.188 1.00 0.00 H new ATOM 1549 N PHE A 102 8.390 9.815 -1.510 1.00 0.00 N ATOM 1550 CA PHE A 102 7.026 9.958 -2.003 1.00 0.00 C ATOM 1551 C PHE A 102 6.029 9.489 -0.940 1.00 0.00 C ATOM 1552 O PHE A 102 5.109 10.220 -0.571 1.00 0.00 O ATOM 1553 CB PHE A 102 6.874 9.167 -3.310 1.00 0.00 C ATOM 1554 CG PHE A 102 5.458 9.074 -3.850 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.954 10.080 -4.697 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.664 7.948 -3.557 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.682 9.939 -5.280 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.390 7.810 -4.136 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.907 8.795 -5.014 1.00 0.00 C ATOM 0 H PHE A 102 8.991 9.277 -2.134 1.00 0.00 H new ATOM 0 HA PHE A 102 6.814 11.007 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.506 9.627 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.252 8.157 -3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.545 10.961 -4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.035 7.188 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.299 10.710 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.783 6.947 -3.906 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.942 8.674 -5.484 1.00 0.00 H new ATOM 1569 N LEU A 103 6.216 8.266 -0.443 1.00 0.00 N ATOM 1570 CA LEU A 103 5.351 7.689 0.570 1.00 0.00 C ATOM 1571 C LEU A 103 5.301 8.589 1.797 1.00 0.00 C ATOM 1572 O LEU A 103 4.216 8.955 2.232 1.00 0.00 O ATOM 1573 CB LEU A 103 5.827 6.281 0.941 1.00 0.00 C ATOM 1574 CG LEU A 103 5.615 5.278 -0.199 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.381 3.995 0.129 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.130 4.978 -0.430 1.00 0.00 C ATOM 0 H LEU A 103 6.975 7.651 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 103 4.342 7.609 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.885 6.314 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.291 5.940 1.827 1.00 0.00 H new ATOM 0 HG LEU A 103 5.993 5.714 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.239 3.271 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.442 4.221 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.008 3.577 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.026 4.263 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.698 4.557 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.608 5.900 -0.686 1.00 0.00 H new ATOM 1588 N ASP A 104 6.458 8.965 2.343 1.00 0.00 N ATOM 1589 CA ASP A 104 6.524 9.840 3.505 1.00 0.00 C ATOM 1590 C ASP A 104 5.740 11.131 3.253 1.00 0.00 C ATOM 1591 O ASP A 104 4.879 11.500 4.048 1.00 0.00 O ATOM 1592 CB ASP A 104 7.988 10.138 3.848 1.00 0.00 C ATOM 1593 CG ASP A 104 8.084 11.064 5.055 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.972 10.535 6.182 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.260 12.279 4.827 1.00 0.00 O ATOM 0 H ASP A 104 7.369 8.671 1.991 1.00 0.00 H new ATOM 0 HA ASP A 104 6.066 9.337 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.514 9.206 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.481 10.598 2.991 1.00 0.00 H new ATOM 1600 N ALA A 105 6.034 11.799 2.136 1.00 0.00 N ATOM 1601 CA ALA A 105 5.392 13.044 1.743 1.00 0.00 C ATOM 1602 C ALA A 105 3.871 12.905 1.638 1.00 0.00 C ATOM 1603 O ALA A 105 3.145 13.815 2.029 1.00 0.00 O ATOM 1604 CB ALA A 105 5.987 13.533 0.418 1.00 0.00 C ATOM 0 H ALA A 105 6.738 11.480 1.471 1.00 0.00 H new ATOM 0 HA ALA A 105 5.585 13.781 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.505 14.466 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.057 13.700 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.822 12.781 -0.354 1.00 0.00 H new ATOM 1610 N ASN A 106 3.381 11.780 1.109 1.00 0.00 N ATOM 1611 CA ASN A 106 1.945 11.580 0.937 1.00 0.00 C ATOM 1612 C ASN A 106 1.287 11.196 2.260 1.00 0.00 C ATOM 1613 O ASN A 106 0.235 11.729 2.601 1.00 0.00 O ATOM 1614 CB ASN A 106 1.668 10.480 -0.092 1.00 0.00 C ATOM 1615 CG ASN A 106 1.727 10.978 -1.531 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.700 11.301 -2.118 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.916 11.028 -2.119 1.00 0.00 N ATOM 0 H ASN A 106 3.957 10.999 0.795 1.00 0.00 H new ATOM 0 HA ASN A 106 1.525 12.522 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.394 9.678 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.683 10.053 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.994 11.342 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.752 10.752 -1.603 1.00 0.00 H new ATOM 1624 N LEU A 107 1.884 10.259 3.000 1.00 0.00 N ATOM 1625 CA LEU A 107 1.363 9.794 4.278 1.00 0.00 C ATOM 1626 C LEU A 107 1.307 10.959 5.268 1.00 0.00 C ATOM 1627 O LEU A 107 0.292 11.154 5.934 1.00 0.00 O ATOM 1628 CB LEU A 107 2.232 8.646 4.820 1.00 0.00 C ATOM 1629 CG LEU A 107 2.111 7.343 4.009 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.253 6.397 4.398 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.773 6.637 4.254 1.00 0.00 C ATOM 0 H LEU A 107 2.751 9.800 2.722 1.00 0.00 H new ATOM 0 HA LEU A 107 0.352 9.412 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.275 8.964 4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.952 8.447 5.854 1.00 0.00 H new ATOM 0 HG LEU A 107 2.167 7.603 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.171 5.473 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.209 6.873 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.192 6.171 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.730 5.723 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.681 6.389 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.045 7.296 3.963 1.00 0.00 H new ATOM 1643 N ALA A 108 2.395 11.732 5.360 1.00 0.00 N ATOM 1644 CA ALA A 108 2.516 12.888 6.236 1.00 0.00 C ATOM 1645 C ALA A 108 1.986 12.586 7.639 1.00 0.00 C ATOM 1646 O ALA A 108 2.761 12.395 8.574 1.00 0.00 O ATOM 1647 CB ALA A 108 1.803 14.091 5.614 1.00 0.00 C ATOM 0 H ALA A 108 3.236 11.560 4.809 1.00 0.00 H new ATOM 0 HA ALA A 108 3.573 13.131 6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.898 14.952 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.255 14.323 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.748 13.856 5.474 1.00 0.00 H new