USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 719 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 26 THR OG1 : rot 122:sc= 1.26 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.565 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.34 K(o=-0.34,f=-4.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.232 K(o=-0.23,f=-3!) USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.831 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00118 X(o=-0.0012,f=-0.026) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.83 K(o=-0.83,f=-9!) USER MOD Single : A 24 TYR OH : rot -23:sc= -0.115 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.689 K(o=0.69,f=-9.7!) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0366) USER MOD Single : A 50 SER OG : rot -72:sc= 0.928 USER MOD Single : A 57 SER OG : rot 46:sc= 0.647 USER MOD Single : A 58 ASN : amide:sc= -0.149 X(o=-0.15,f=0.097) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.119) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.96! C(o=-3!,f=-4.3!) USER MOD Single : A 78 TYR OH : rot 155:sc= 0.73 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0267 K(o=-0.027,f=-5.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00297 USER MOD Single : A 90 TYR OH : rot 178:sc= -0.55 USER MOD Single : A 91 SER OG : rot 137:sc= 1.55 USER MOD Single : A 92 SER OG : rot 180:sc= 0.036 USER MOD Single : A 97 TYR OH : rot 180:sc=-0.00274 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 92:sc= 0.472 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot -69:sc= 0.591 USER MOD Single : A 104 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 105 THR OG1 : rot 33:sc= 0.52 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0437) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.689 12.471 5.494 1.00 0.00 N ATOM 2 CA ALA A 1 -17.277 12.777 4.201 1.00 0.00 C ATOM 3 C ALA A 1 -16.936 11.660 3.213 1.00 0.00 C ATOM 4 O ALA A 1 -17.830 11.001 2.684 1.00 0.00 O ATOM 5 CB ALA A 1 -16.783 14.145 3.726 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.919 13.229 6.168 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.070 11.569 5.844 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.656 12.396 5.397 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.363 12.830 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.224 14.374 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.076 14.908 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.697 14.128 3.636 1.00 0.00 H new ATOM 11 N GLN A 2 -15.642 11.481 2.996 1.00 0.00 N ATOM 12 CA GLN A 2 -15.170 10.421 2.120 1.00 0.00 C ATOM 13 C GLN A 2 -14.016 9.663 2.779 1.00 0.00 C ATOM 14 O GLN A 2 -13.355 10.186 3.674 1.00 0.00 O ATOM 15 CB GLN A 2 -14.751 10.981 0.758 1.00 0.00 C ATOM 16 CG GLN A 2 -15.948 11.589 0.024 1.00 0.00 C ATOM 17 CD GLN A 2 -15.557 12.033 -1.386 1.00 0.00 C ATOM 18 OE1 GLN A 2 -15.816 11.361 -2.372 1.00 0.00 O ATOM 19 NE2 GLN A 2 -14.922 13.201 -1.429 1.00 0.00 N ATOM 0 H GLN A 2 -14.905 12.051 3.411 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.990 9.722 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.980 11.739 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.314 10.187 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.755 10.858 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.329 12.442 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.737 13.713 -0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.621 13.585 -2.325 1.00 0.00 H new ATOM 26 N VAL A 3 -13.810 8.441 2.310 1.00 0.00 N ATOM 27 CA VAL A 3 -12.723 7.619 2.816 1.00 0.00 C ATOM 28 C VAL A 3 -11.387 8.227 2.385 1.00 0.00 C ATOM 29 O VAL A 3 -11.303 8.879 1.345 1.00 0.00 O ATOM 30 CB VAL A 3 -12.900 6.172 2.348 1.00 0.00 C ATOM 31 CG1 VAL A 3 -11.544 5.488 2.160 1.00 0.00 C ATOM 32 CG2 VAL A 3 -13.781 5.386 3.319 1.00 0.00 C ATOM 0 H VAL A 3 -14.377 8.000 1.586 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.735 7.598 3.906 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.403 6.191 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.697 4.461 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.964 6.029 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.003 5.486 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.891 4.362 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.319 5.380 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.763 5.855 3.381 1.00 0.00 H new ATOM 42 N ILE A 4 -10.375 7.993 3.207 1.00 0.00 N ATOM 43 CA ILE A 4 -9.073 8.598 2.983 1.00 0.00 C ATOM 44 C ILE A 4 -8.154 7.582 2.302 1.00 0.00 C ATOM 45 O ILE A 4 -7.505 6.781 2.973 1.00 0.00 O ATOM 46 CB ILE A 4 -8.509 9.158 4.290 1.00 0.00 C ATOM 47 CG1 ILE A 4 -9.491 10.140 4.934 1.00 0.00 C ATOM 48 CG2 ILE A 4 -7.133 9.789 4.068 1.00 0.00 C ATOM 49 CD1 ILE A 4 -9.448 11.498 4.234 1.00 0.00 C ATOM 0 H ILE A 4 -10.430 7.392 4.030 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.161 9.451 2.310 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.376 8.330 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.501 9.734 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.248 10.263 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.755 10.179 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.445 9.036 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.218 10.602 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.155 12.176 4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.443 11.913 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.716 11.375 3.185 1.00 0.00 H new ATOM 60 N ASN A 5 -8.127 7.648 0.980 1.00 0.00 N ATOM 61 CA ASN A 5 -7.264 6.774 0.204 1.00 0.00 C ATOM 62 C ASN A 5 -6.807 7.506 -1.060 1.00 0.00 C ATOM 63 O ASN A 5 -6.573 6.881 -2.093 1.00 0.00 O ATOM 64 CB ASN A 5 -8.007 5.508 -0.226 1.00 0.00 C ATOM 65 CG ASN A 5 -9.169 5.844 -1.162 1.00 0.00 C ATOM 66 OD1 ASN A 5 -9.798 6.885 -1.064 1.00 0.00 O ATOM 67 ND2 ASN A 5 -9.419 4.908 -2.074 1.00 0.00 N ATOM 0 H ASN A 5 -8.689 8.294 0.426 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.413 6.499 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.317 4.830 -0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.384 4.987 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.175 5.039 -2.746 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.854 4.059 -2.102 1.00 0.00 H new ATOM 73 N THR A 6 -6.695 8.820 -0.936 1.00 0.00 N ATOM 74 CA THR A 6 -6.117 9.625 -1.999 1.00 0.00 C ATOM 75 C THR A 6 -4.640 9.903 -1.713 1.00 0.00 C ATOM 76 O THR A 6 -4.193 9.797 -0.572 1.00 0.00 O ATOM 77 CB THR A 6 -6.958 10.896 -2.141 1.00 0.00 C ATOM 78 OG1 THR A 6 -7.292 11.242 -0.799 1.00 0.00 O ATOM 79 CG2 THR A 6 -8.310 10.632 -2.806 1.00 0.00 C ATOM 0 H THR A 6 -6.995 9.348 -0.116 1.00 0.00 H new ATOM 0 HA THR A 6 -6.138 9.096 -2.952 1.00 0.00 H new ATOM 0 HB THR A 6 -6.406 11.634 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.836 12.057 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.867 11.566 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.151 10.222 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.877 9.920 -2.207 1.00 0.00 H new ATOM 87 N PHE A 7 -3.921 10.253 -2.771 1.00 0.00 N ATOM 88 CA PHE A 7 -2.494 10.498 -2.657 1.00 0.00 C ATOM 89 C PHE A 7 -2.206 11.609 -1.646 1.00 0.00 C ATOM 90 O PHE A 7 -1.431 11.416 -0.710 1.00 0.00 O ATOM 91 CB PHE A 7 -2.006 10.942 -4.038 1.00 0.00 C ATOM 92 CG PHE A 7 -1.653 9.786 -4.975 1.00 0.00 C ATOM 93 CD1 PHE A 7 -0.631 8.945 -4.665 1.00 0.00 C ATOM 94 CD2 PHE A 7 -2.364 9.599 -6.120 1.00 0.00 C ATOM 95 CE1 PHE A 7 -0.305 7.872 -5.535 1.00 0.00 C ATOM 96 CE2 PHE A 7 -2.037 8.525 -6.990 1.00 0.00 C ATOM 97 CZ PHE A 7 -1.014 7.685 -6.680 1.00 0.00 C ATOM 0 H PHE A 7 -4.301 10.372 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.988 9.595 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.778 11.552 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.129 11.577 -3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.067 9.093 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.176 10.267 -6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.507 7.204 -5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.601 8.376 -7.899 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.765 6.870 -7.343 1.00 0.00 H new ATOM 106 N ASP A 8 -2.846 12.748 -1.867 1.00 0.00 N ATOM 107 CA ASP A 8 -2.565 13.930 -1.072 1.00 0.00 C ATOM 108 C ASP A 8 -3.072 13.714 0.355 1.00 0.00 C ATOM 109 O ASP A 8 -2.406 14.088 1.318 1.00 0.00 O ATOM 110 CB ASP A 8 -3.273 15.160 -1.645 1.00 0.00 C ATOM 111 CG ASP A 8 -2.948 16.480 -0.942 1.00 0.00 C ATOM 112 OD1 ASP A 8 -1.912 17.077 -1.308 1.00 0.00 O ATOM 113 OD2 ASP A 8 -3.742 16.861 -0.056 1.00 0.00 O ATOM 0 H ASP A 8 -3.558 12.877 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.488 14.095 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.011 15.253 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.350 14.996 -1.597 1.00 0.00 H new ATOM 117 N GLY A 9 -4.249 13.111 0.444 1.00 0.00 N ATOM 118 CA GLY A 9 -4.921 12.969 1.724 1.00 0.00 C ATOM 119 C GLY A 9 -4.152 12.020 2.646 1.00 0.00 C ATOM 120 O GLY A 9 -3.989 12.298 3.833 1.00 0.00 O ATOM 0 H GLY A 9 -4.754 12.716 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.016 13.945 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.931 12.591 1.568 1.00 0.00 H new ATOM 124 N VAL A 10 -3.700 10.918 2.064 1.00 0.00 N ATOM 125 CA VAL A 10 -2.992 9.905 2.827 1.00 0.00 C ATOM 126 C VAL A 10 -1.617 10.442 3.226 1.00 0.00 C ATOM 127 O VAL A 10 -1.142 10.184 4.331 1.00 0.00 O ATOM 128 CB VAL A 10 -2.916 8.604 2.025 1.00 0.00 C ATOM 129 CG1 VAL A 10 -1.939 7.619 2.670 1.00 0.00 C ATOM 130 CG2 VAL A 10 -4.302 7.977 1.865 1.00 0.00 C ATOM 0 H VAL A 10 -3.811 10.705 1.073 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.530 9.674 3.746 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.541 8.845 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.904 6.703 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.945 8.065 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.271 7.387 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.220 7.054 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.718 7.757 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.958 8.672 1.341 1.00 0.00 H new ATOM 140 N ALA A 11 -1.015 11.181 2.305 1.00 0.00 N ATOM 141 CA ALA A 11 0.282 11.784 2.559 1.00 0.00 C ATOM 142 C ALA A 11 0.191 12.675 3.801 1.00 0.00 C ATOM 143 O ALA A 11 1.020 12.573 4.704 1.00 0.00 O ATOM 144 CB ALA A 11 0.738 12.557 1.320 1.00 0.00 C ATOM 0 H ALA A 11 -1.402 11.376 1.382 1.00 0.00 H new ATOM 0 HA ALA A 11 1.030 11.016 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.711 13.009 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.815 11.875 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.013 13.338 1.092 1.00 0.00 H new ATOM 150 N ASP A 12 -0.823 13.526 3.806 1.00 0.00 N ATOM 151 CA ASP A 12 -0.954 14.528 4.850 1.00 0.00 C ATOM 152 C ASP A 12 -1.222 13.833 6.186 1.00 0.00 C ATOM 153 O ASP A 12 -0.705 14.250 7.222 1.00 0.00 O ATOM 154 CB ASP A 12 -2.126 15.470 4.565 1.00 0.00 C ATOM 155 CG ASP A 12 -2.366 16.543 5.630 1.00 0.00 C ATOM 156 OD1 ASP A 12 -1.489 17.423 5.757 1.00 0.00 O ATOM 157 OD2 ASP A 12 -3.423 16.457 6.292 1.00 0.00 O ATOM 0 H ASP A 12 -1.562 13.543 3.104 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.029 15.103 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.953 15.962 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.033 14.875 4.459 1.00 0.00 H new ATOM 161 N TYR A 13 -2.030 12.784 6.121 1.00 0.00 N ATOM 162 CA TYR A 13 -2.432 12.073 7.323 1.00 0.00 C ATOM 163 C TYR A 13 -1.242 11.349 7.955 1.00 0.00 C ATOM 164 O TYR A 13 -1.185 11.186 9.173 1.00 0.00 O ATOM 165 CB TYR A 13 -3.464 11.038 6.874 1.00 0.00 C ATOM 166 CG TYR A 13 -4.279 10.435 8.020 1.00 0.00 C ATOM 167 CD1 TYR A 13 -3.769 9.381 8.750 1.00 0.00 C ATOM 168 CD2 TYR A 13 -5.525 10.946 8.324 1.00 0.00 C ATOM 169 CE1 TYR A 13 -4.537 8.814 9.829 1.00 0.00 C ATOM 170 CE2 TYR A 13 -6.292 10.379 9.402 1.00 0.00 C ATOM 171 CZ TYR A 13 -5.761 9.341 10.101 1.00 0.00 C ATOM 172 OH TYR A 13 -6.485 8.805 11.120 1.00 0.00 O ATOM 0 H TYR A 13 -2.417 12.410 5.255 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.830 12.766 8.065 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.146 11.505 6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.952 10.235 6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.794 8.981 8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.924 11.771 7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.150 7.989 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.268 10.770 9.650 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.338 9.281 11.201 1.00 0.00 H new ATOM 181 N LEU A 14 -0.319 10.934 7.099 1.00 0.00 N ATOM 182 CA LEU A 14 0.907 10.309 7.564 1.00 0.00 C ATOM 183 C LEU A 14 1.791 11.363 8.233 1.00 0.00 C ATOM 184 O LEU A 14 2.285 11.154 9.340 1.00 0.00 O ATOM 185 CB LEU A 14 1.596 9.564 6.419 1.00 0.00 C ATOM 186 CG LEU A 14 0.906 8.286 5.937 1.00 0.00 C ATOM 187 CD1 LEU A 14 1.342 7.930 4.515 1.00 0.00 C ATOM 188 CD2 LEU A 14 1.142 7.134 6.916 1.00 0.00 C ATOM 0 H LEU A 14 -0.396 11.019 6.085 1.00 0.00 H new ATOM 0 HA LEU A 14 0.687 9.553 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.688 10.245 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.608 9.310 6.735 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.168 8.468 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.837 7.018 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.080 8.744 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.421 7.774 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.641 6.237 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.212 6.943 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.741 7.400 7.894 1.00 0.00 H new ATOM 199 N GLN A 15 1.963 12.475 7.533 1.00 0.00 N ATOM 200 CA GLN A 15 2.770 13.567 8.049 1.00 0.00 C ATOM 201 C GLN A 15 2.273 13.985 9.435 1.00 0.00 C ATOM 202 O GLN A 15 3.066 14.380 10.289 1.00 0.00 O ATOM 203 CB GLN A 15 2.767 14.755 7.085 1.00 0.00 C ATOM 204 CG GLN A 15 3.472 14.398 5.774 1.00 0.00 C ATOM 205 CD GLN A 15 4.986 14.577 5.900 1.00 0.00 C ATOM 206 OE1 GLN A 15 5.514 15.675 5.852 1.00 0.00 O ATOM 207 NE2 GLN A 15 5.653 13.437 6.064 1.00 0.00 N ATOM 0 H GLN A 15 1.557 12.643 6.613 1.00 0.00 H new ATOM 0 HA GLN A 15 3.799 13.220 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.741 15.059 6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.264 15.606 7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.245 13.367 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.093 15.029 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.149 12.551 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.669 13.449 6.158 1.00 0.00 H new ATOM 214 N THR A 16 0.965 13.882 9.615 1.00 0.00 N ATOM 215 CA THR A 16 0.352 14.256 10.878 1.00 0.00 C ATOM 216 C THR A 16 0.644 13.202 11.947 1.00 0.00 C ATOM 217 O THR A 16 1.463 13.425 12.837 1.00 0.00 O ATOM 218 CB THR A 16 -1.143 14.474 10.632 1.00 0.00 C ATOM 219 OG1 THR A 16 -1.188 15.565 9.716 1.00 0.00 O ATOM 220 CG2 THR A 16 -1.869 14.998 11.872 1.00 0.00 C ATOM 0 H THR A 16 0.312 13.545 8.907 1.00 0.00 H new ATOM 0 HA THR A 16 0.773 15.186 11.261 1.00 0.00 H new ATOM 0 HB THR A 16 -1.599 13.537 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.047 15.233 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.926 15.135 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.764 14.280 12.686 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.435 15.952 12.171 1.00 0.00 H new ATOM 228 N TYR A 17 -0.040 12.074 11.823 1.00 0.00 N ATOM 229 CA TYR A 17 -0.122 11.124 12.918 1.00 0.00 C ATOM 230 C TYR A 17 0.997 10.084 12.827 1.00 0.00 C ATOM 231 O TYR A 17 1.243 9.346 13.780 1.00 0.00 O ATOM 232 CB TYR A 17 -1.470 10.418 12.765 1.00 0.00 C ATOM 233 CG TYR A 17 -2.677 11.355 12.846 1.00 0.00 C ATOM 234 CD1 TYR A 17 -3.031 11.922 14.054 1.00 0.00 C ATOM 235 CD2 TYR A 17 -3.410 11.635 11.711 1.00 0.00 C ATOM 236 CE1 TYR A 17 -4.166 12.805 14.130 1.00 0.00 C ATOM 237 CE2 TYR A 17 -4.546 12.519 11.787 1.00 0.00 C ATOM 238 CZ TYR A 17 -4.867 13.059 12.993 1.00 0.00 C ATOM 239 OH TYR A 17 -5.939 13.893 13.065 1.00 0.00 O ATOM 0 H TYR A 17 -0.543 11.797 10.980 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.024 11.635 13.876 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.490 9.899 11.807 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.560 9.658 13.541 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.457 11.703 14.942 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.133 11.192 10.766 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.454 13.255 15.069 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.129 12.747 10.907 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.343 13.984 12.177 1.00 0.00 H new ATOM 248 N HIS A 18 1.647 10.060 11.673 1.00 0.00 N ATOM 249 CA HIS A 18 2.737 9.126 11.446 1.00 0.00 C ATOM 250 C HIS A 18 2.200 7.695 11.475 1.00 0.00 C ATOM 251 O HIS A 18 2.847 6.795 12.011 1.00 0.00 O ATOM 252 CB HIS A 18 3.867 9.357 12.452 1.00 0.00 C ATOM 253 CG HIS A 18 4.264 10.805 12.608 1.00 0.00 C ATOM 254 ND1 HIS A 18 4.468 11.398 13.842 1.00 0.00 N ATOM 255 CD2 HIS A 18 4.494 11.772 11.674 1.00 0.00 C ATOM 256 CE1 HIS A 18 4.804 12.665 13.648 1.00 0.00 C ATOM 257 NE2 HIS A 18 4.820 12.895 12.303 1.00 0.00 N ATOM 0 H HIS A 18 1.440 10.673 10.884 1.00 0.00 H new ATOM 0 HA HIS A 18 3.167 9.295 10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.560 8.968 13.423 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.740 8.783 12.140 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.423 11.646 10.604 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.026 13.388 14.419 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.045 13.783 11.855 1.00 0.00 H new ATOM 264 N LYS A 19 1.022 7.526 10.893 1.00 0.00 N ATOM 265 CA LYS A 19 0.481 6.196 10.670 1.00 0.00 C ATOM 266 C LYS A 19 -0.625 6.270 9.615 1.00 0.00 C ATOM 267 O LYS A 19 -1.062 7.359 9.244 1.00 0.00 O ATOM 268 CB LYS A 19 0.028 5.572 11.992 1.00 0.00 C ATOM 269 CG LYS A 19 -0.889 6.525 12.761 1.00 0.00 C ATOM 270 CD LYS A 19 -1.544 5.816 13.948 1.00 0.00 C ATOM 271 CE LYS A 19 -0.531 5.570 15.067 1.00 0.00 C ATOM 272 NZ LYS A 19 -1.208 5.036 16.271 1.00 0.00 N ATOM 0 H LYS A 19 0.427 8.288 10.569 1.00 0.00 H new ATOM 0 HA LYS A 19 1.252 5.533 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.496 4.636 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.899 5.329 12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.315 7.381 13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.659 6.912 12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.369 6.419 14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.967 4.866 13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.230 4.867 14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.019 6.500 15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.506 4.875 17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.918 5.720 16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.676 4.138 16.036 1.00 0.00 H new ATOM 282 N LEU A 20 -1.046 5.098 9.162 1.00 0.00 N ATOM 283 CA LEU A 20 -2.164 5.013 8.237 1.00 0.00 C ATOM 284 C LEU A 20 -3.442 5.465 8.946 1.00 0.00 C ATOM 285 O LEU A 20 -3.448 5.656 10.162 1.00 0.00 O ATOM 286 CB LEU A 20 -2.257 3.607 7.639 1.00 0.00 C ATOM 287 CG LEU A 20 -1.091 3.181 6.744 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.131 1.676 6.473 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.068 3.996 5.449 1.00 0.00 C ATOM 0 H LEU A 20 -0.634 4.201 9.418 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.013 5.685 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.342 2.891 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.178 3.540 7.059 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.160 3.389 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.292 1.399 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.064 1.134 7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.066 1.421 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.230 3.674 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.000 3.842 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.957 5.054 5.687 1.00 0.00 H new ATOM 300 N PRO A 21 -4.522 5.626 8.136 1.00 0.00 N ATOM 301 CA PRO A 21 -5.872 5.427 8.638 1.00 0.00 C ATOM 302 C PRO A 21 -6.178 3.937 8.808 1.00 0.00 C ATOM 303 O PRO A 21 -5.688 3.107 8.045 1.00 0.00 O ATOM 304 CB PRO A 21 -6.774 6.107 7.622 1.00 0.00 C ATOM 305 CG PRO A 21 -5.941 6.256 6.358 1.00 0.00 C ATOM 306 CD PRO A 21 -4.489 6.001 6.725 1.00 0.00 C ATOM 0 HA PRO A 21 -6.020 5.854 9.630 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.667 5.512 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.109 7.078 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.272 5.549 5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.059 7.255 5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.060 5.206 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.879 6.890 6.566 1.00 0.00 H new ATOM 311 N ASP A 22 -6.989 3.644 9.814 1.00 0.00 N ATOM 312 CA ASP A 22 -7.444 2.282 10.037 1.00 0.00 C ATOM 313 C ASP A 22 -8.621 1.984 9.105 1.00 0.00 C ATOM 314 O ASP A 22 -9.681 1.553 9.557 1.00 0.00 O ATOM 315 CB ASP A 22 -7.921 2.089 11.478 1.00 0.00 C ATOM 316 CG ASP A 22 -9.040 3.034 11.920 1.00 0.00 C ATOM 317 OD1 ASP A 22 -8.839 4.259 11.777 1.00 0.00 O ATOM 318 OD2 ASP A 22 -10.071 2.509 12.393 1.00 0.00 O ATOM 0 H ASP A 22 -7.343 4.327 10.484 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.608 1.611 9.842 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.265 1.062 11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.070 2.219 12.147 1.00 0.00 H new ATOM 322 N ASN A 23 -8.394 2.225 7.822 1.00 0.00 N ATOM 323 CA ASN A 23 -9.218 1.618 6.790 1.00 0.00 C ATOM 324 C ASN A 23 -8.373 0.628 5.986 1.00 0.00 C ATOM 325 O ASN A 23 -8.896 -0.103 5.147 1.00 0.00 O ATOM 326 CB ASN A 23 -9.757 2.674 5.823 1.00 0.00 C ATOM 327 CG ASN A 23 -8.613 3.435 5.149 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.539 3.608 5.700 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.904 3.878 3.929 1.00 0.00 N ATOM 0 H ASN A 23 -7.652 2.832 7.474 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.054 1.116 7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.377 2.195 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.396 3.373 6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.207 4.398 3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.824 3.698 3.527 1.00 0.00 H new ATOM 335 N TYR A 24 -7.079 0.637 6.270 1.00 0.00 N ATOM 336 CA TYR A 24 -6.147 -0.208 5.543 1.00 0.00 C ATOM 337 C TYR A 24 -5.820 -1.474 6.337 1.00 0.00 C ATOM 338 O TYR A 24 -5.605 -1.415 7.547 1.00 0.00 O ATOM 339 CB TYR A 24 -4.869 0.618 5.376 1.00 0.00 C ATOM 340 CG TYR A 24 -4.969 1.709 4.307 1.00 0.00 C ATOM 341 CD1 TYR A 24 -5.147 1.362 2.984 1.00 0.00 C ATOM 342 CD2 TYR A 24 -4.880 3.037 4.667 1.00 0.00 C ATOM 343 CE1 TYR A 24 -5.241 2.388 1.978 1.00 0.00 C ATOM 344 CE2 TYR A 24 -4.974 4.064 3.661 1.00 0.00 C ATOM 345 CZ TYR A 24 -5.149 3.688 2.366 1.00 0.00 C ATOM 346 OH TYR A 24 -5.238 4.657 1.416 1.00 0.00 O ATOM 0 H TYR A 24 -6.654 1.216 6.994 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.574 -0.516 4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.620 1.081 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.047 -0.051 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.216 0.322 2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.740 3.307 5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.381 2.131 0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.907 5.108 3.929 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.001 4.281 0.542 1.00 0.00 H new ATOM 355 N ILE A 25 -5.794 -2.591 5.625 1.00 0.00 N ATOM 356 CA ILE A 25 -5.385 -3.851 6.222 1.00 0.00 C ATOM 357 C ILE A 25 -4.051 -4.288 5.617 1.00 0.00 C ATOM 358 O ILE A 25 -3.456 -3.559 4.824 1.00 0.00 O ATOM 359 CB ILE A 25 -6.495 -4.895 6.084 1.00 0.00 C ATOM 360 CG1 ILE A 25 -6.763 -5.218 4.613 1.00 0.00 C ATOM 361 CG2 ILE A 25 -7.764 -4.446 6.813 1.00 0.00 C ATOM 362 CD1 ILE A 25 -7.740 -6.387 4.477 1.00 0.00 C ATOM 0 H ILE A 25 -6.050 -2.650 4.639 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.225 -3.730 7.293 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.159 -5.816 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.170 -4.339 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.825 -5.463 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.537 -5.206 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.545 -4.306 7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.114 -3.505 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.913 -6.596 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.319 -7.270 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.685 -6.129 4.955 1.00 0.00 H new ATOM 373 N THR A 26 -3.619 -5.476 6.014 1.00 0.00 N ATOM 374 CA THR A 26 -2.514 -6.135 5.337 1.00 0.00 C ATOM 375 C THR A 26 -3.026 -7.306 4.495 1.00 0.00 C ATOM 376 O THR A 26 -4.159 -7.751 4.669 1.00 0.00 O ATOM 377 CB THR A 26 -1.490 -6.550 6.396 1.00 0.00 C ATOM 378 OG1 THR A 26 -2.251 -7.301 7.339 1.00 0.00 O ATOM 379 CG2 THR A 26 -0.968 -5.359 7.202 1.00 0.00 C ATOM 0 H THR A 26 -4.014 -5.999 6.795 1.00 0.00 H new ATOM 0 HA THR A 26 -2.022 -5.461 4.635 1.00 0.00 H new ATOM 0 HB THR A 26 -0.654 -7.057 5.914 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.874 -8.202 7.421 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.245 -5.708 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.487 -4.648 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.799 -4.872 7.711 1.00 0.00 H new ATOM 387 N LYS A 27 -2.166 -7.771 3.601 1.00 0.00 N ATOM 388 CA LYS A 27 -2.483 -8.937 2.793 1.00 0.00 C ATOM 389 C LYS A 27 -2.741 -10.133 3.712 1.00 0.00 C ATOM 390 O LYS A 27 -3.572 -10.987 3.406 1.00 0.00 O ATOM 391 CB LYS A 27 -1.386 -9.184 1.756 1.00 0.00 C ATOM 392 CG LYS A 27 -1.507 -8.204 0.586 1.00 0.00 C ATOM 393 CD LYS A 27 -0.478 -8.519 -0.501 1.00 0.00 C ATOM 394 CE LYS A 27 0.898 -7.962 -0.132 1.00 0.00 C ATOM 395 NZ LYS A 27 1.882 -8.264 -1.195 1.00 0.00 N ATOM 0 H LYS A 27 -1.250 -7.362 3.418 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.397 -8.769 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.407 -9.078 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.453 -10.207 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.512 -8.255 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.363 -7.185 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.412 -9.598 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.804 -8.093 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.833 -6.884 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.230 -8.393 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.810 -7.879 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.957 -9.294 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.572 -7.832 -2.088 1.00 0.00 H new ATOM 405 N SER A 28 -2.013 -10.157 4.819 1.00 0.00 N ATOM 406 CA SER A 28 -2.194 -11.202 5.812 1.00 0.00 C ATOM 407 C SER A 28 -3.639 -11.202 6.313 1.00 0.00 C ATOM 408 O SER A 28 -4.345 -12.202 6.185 1.00 0.00 O ATOM 409 CB SER A 28 -1.226 -11.023 6.983 1.00 0.00 C ATOM 410 OG SER A 28 -1.547 -9.880 7.772 1.00 0.00 O ATOM 0 H SER A 28 -1.296 -9.469 5.050 1.00 0.00 H new ATOM 0 HA SER A 28 -1.979 -12.162 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.247 -11.914 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.210 -10.926 6.601 1.00 0.00 H new ATOM 0 HG SER A 28 -0.907 -9.802 8.510 1.00 0.00 H new ATOM 415 N GLU A 29 -4.038 -10.069 6.873 1.00 0.00 N ATOM 416 CA GLU A 29 -5.353 -9.957 7.481 1.00 0.00 C ATOM 417 C GLU A 29 -6.441 -10.285 6.457 1.00 0.00 C ATOM 418 O GLU A 29 -7.354 -11.059 6.740 1.00 0.00 O ATOM 419 CB GLU A 29 -5.564 -8.564 8.078 1.00 0.00 C ATOM 420 CG GLU A 29 -4.735 -8.381 9.351 1.00 0.00 C ATOM 421 CD GLU A 29 -4.743 -6.920 9.806 1.00 0.00 C ATOM 422 OE1 GLU A 29 -4.359 -6.066 8.978 1.00 0.00 O ATOM 423 OE2 GLU A 29 -5.134 -6.691 10.970 1.00 0.00 O ATOM 0 H GLU A 29 -3.474 -9.221 6.918 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.418 -10.679 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.286 -7.805 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.620 -8.417 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.134 -9.014 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.710 -8.704 9.171 1.00 0.00 H new ATOM 428 N ALA A 30 -6.308 -9.680 5.285 1.00 0.00 N ATOM 429 CA ALA A 30 -7.229 -9.950 4.194 1.00 0.00 C ATOM 430 C ALA A 30 -7.418 -11.461 4.054 1.00 0.00 C ATOM 431 O ALA A 30 -8.541 -11.959 4.115 1.00 0.00 O ATOM 432 CB ALA A 30 -6.703 -9.306 2.910 1.00 0.00 C ATOM 0 H ALA A 30 -5.576 -9.004 5.068 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.206 -9.514 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.394 -9.509 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.615 -8.229 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.724 -9.721 2.669 1.00 0.00 H new ATOM 438 N GLN A 31 -6.302 -12.150 3.868 1.00 0.00 N ATOM 439 CA GLN A 31 -6.342 -13.562 3.529 1.00 0.00 C ATOM 440 C GLN A 31 -7.065 -14.352 4.622 1.00 0.00 C ATOM 441 O GLN A 31 -7.875 -15.229 4.327 1.00 0.00 O ATOM 442 CB GLN A 31 -4.932 -14.111 3.298 1.00 0.00 C ATOM 443 CG GLN A 31 -4.534 -13.999 1.825 1.00 0.00 C ATOM 444 CD GLN A 31 -3.283 -14.828 1.530 1.00 0.00 C ATOM 445 OE1 GLN A 31 -2.581 -15.279 2.422 1.00 0.00 O ATOM 446 NE2 GLN A 31 -3.043 -15.004 0.234 1.00 0.00 N ATOM 0 H GLN A 31 -5.364 -11.756 3.946 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.898 -13.675 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.219 -13.563 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.888 -15.154 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.356 -14.339 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.350 -12.955 1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.671 -14.599 -0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.231 -15.544 -0.066 1.00 0.00 H new ATOM 453 N ALA A 32 -6.746 -14.011 5.862 1.00 0.00 N ATOM 454 CA ALA A 32 -7.385 -14.648 7.001 1.00 0.00 C ATOM 455 C ALA A 32 -8.905 -14.530 6.860 1.00 0.00 C ATOM 456 O ALA A 32 -9.636 -15.463 7.186 1.00 0.00 O ATOM 457 CB ALA A 32 -6.869 -14.016 8.296 1.00 0.00 C ATOM 0 H ALA A 32 -6.053 -13.302 6.103 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.138 -15.709 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.348 -14.494 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.790 -14.152 8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.101 -12.951 8.299 1.00 0.00 H new ATOM 463 N LEU A 33 -9.334 -13.375 6.373 1.00 0.00 N ATOM 464 CA LEU A 33 -10.753 -13.073 6.302 1.00 0.00 C ATOM 465 C LEU A 33 -11.380 -13.854 5.145 1.00 0.00 C ATOM 466 O LEU A 33 -12.602 -13.962 5.054 1.00 0.00 O ATOM 467 CB LEU A 33 -10.977 -11.562 6.216 1.00 0.00 C ATOM 468 CG LEU A 33 -10.810 -10.784 7.523 1.00 0.00 C ATOM 469 CD1 LEU A 33 -10.323 -9.359 7.254 1.00 0.00 C ATOM 470 CD2 LEU A 33 -12.103 -10.803 8.340 1.00 0.00 C ATOM 0 H LEU A 33 -8.723 -12.637 6.024 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.256 -13.395 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.283 -11.153 5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.983 -11.385 5.837 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.044 -11.279 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.213 -8.828 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.361 -9.394 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.048 -8.839 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.958 -10.243 9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.906 -10.346 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.368 -11.833 8.578 1.00 0.00 H new ATOM 481 N GLY A 34 -10.514 -14.380 4.290 1.00 0.00 N ATOM 482 CA GLY A 34 -10.957 -15.254 3.219 1.00 0.00 C ATOM 483 C GLY A 34 -10.896 -14.540 1.868 1.00 0.00 C ATOM 484 O GLY A 34 -11.315 -15.090 0.850 1.00 0.00 O ATOM 0 H GLY A 34 -9.508 -14.217 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.332 -16.147 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.977 -15.585 3.414 1.00 0.00 H new ATOM 488 N TRP A 35 -10.370 -13.324 1.900 1.00 0.00 N ATOM 489 CA TRP A 35 -9.957 -12.654 0.679 1.00 0.00 C ATOM 490 C TRP A 35 -9.183 -13.661 -0.175 1.00 0.00 C ATOM 491 O TRP A 35 -8.333 -14.390 0.336 1.00 0.00 O ATOM 492 CB TRP A 35 -9.151 -11.392 0.991 1.00 0.00 C ATOM 493 CG TRP A 35 -8.407 -10.814 -0.214 1.00 0.00 C ATOM 494 CD1 TRP A 35 -8.927 -10.298 -1.336 1.00 0.00 C ATOM 495 CD2 TRP A 35 -6.975 -10.714 -0.373 1.00 0.00 C ATOM 496 NE1 TRP A 35 -7.941 -9.875 -2.203 1.00 0.00 N ATOM 497 CE2 TRP A 35 -6.717 -10.136 -1.599 1.00 0.00 C ATOM 498 CE3 TRP A 35 -5.935 -11.098 0.490 1.00 0.00 C ATOM 499 CZ2 TRP A 35 -5.422 -9.890 -2.073 1.00 0.00 C ATOM 500 CZ3 TRP A 35 -4.647 -10.847 0.003 1.00 0.00 C ATOM 501 CH2 TRP A 35 -4.369 -10.266 -1.229 1.00 0.00 C ATOM 0 H TRP A 35 -10.220 -12.785 2.753 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.825 -12.313 0.115 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.824 -10.632 1.388 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.429 -11.619 1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.986 -10.223 -1.536 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.084 -9.449 -3.119 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.115 -11.551 1.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.245 -9.435 -3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.811 -11.124 0.628 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.346 -10.105 -1.534 1.00 0.00 H new ATOM 511 N VAL A 36 -9.505 -13.670 -1.460 1.00 0.00 N ATOM 512 CA VAL A 36 -8.626 -14.271 -2.447 1.00 0.00 C ATOM 513 C VAL A 36 -8.308 -13.242 -3.534 1.00 0.00 C ATOM 514 O VAL A 36 -9.186 -12.851 -4.301 1.00 0.00 O ATOM 515 CB VAL A 36 -9.257 -15.550 -3.001 1.00 0.00 C ATOM 516 CG1 VAL A 36 -8.183 -16.562 -3.404 1.00 0.00 C ATOM 517 CG2 VAL A 36 -10.235 -16.159 -1.995 1.00 0.00 C ATOM 0 H VAL A 36 -10.363 -13.270 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.681 -14.563 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.819 -15.285 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.659 -17.462 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.543 -16.127 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.580 -16.819 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -10.669 -17.067 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.705 -16.402 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.028 -15.443 -1.780 1.00 0.00 H new ATOM 527 N ALA A 37 -7.048 -12.833 -3.567 1.00 0.00 N ATOM 528 CA ALA A 37 -6.560 -11.995 -4.649 1.00 0.00 C ATOM 529 C ALA A 37 -7.014 -12.583 -5.986 1.00 0.00 C ATOM 530 O ALA A 37 -7.332 -11.845 -6.918 1.00 0.00 O ATOM 531 CB ALA A 37 -5.038 -11.871 -4.554 1.00 0.00 C ATOM 0 H ALA A 37 -6.350 -13.067 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.974 -10.989 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.673 -11.242 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.768 -11.422 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.587 -12.860 -4.630 1.00 0.00 H new ATOM 537 N SER A 38 -7.030 -13.907 -6.041 1.00 0.00 N ATOM 538 CA SER A 38 -7.314 -14.602 -7.284 1.00 0.00 C ATOM 539 C SER A 38 -8.807 -14.508 -7.608 1.00 0.00 C ATOM 540 O SER A 38 -9.208 -14.680 -8.757 1.00 0.00 O ATOM 541 CB SER A 38 -6.880 -16.068 -7.207 1.00 0.00 C ATOM 542 OG SER A 38 -7.044 -16.739 -8.453 1.00 0.00 O ATOM 0 H SER A 38 -6.851 -14.517 -5.243 1.00 0.00 H new ATOM 0 HA SER A 38 -6.745 -14.123 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.835 -16.121 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.463 -16.579 -6.441 1.00 0.00 H new ATOM 0 HG SER A 38 -6.755 -17.671 -8.363 1.00 0.00 H new ATOM 547 N LYS A 39 -9.587 -14.234 -6.573 1.00 0.00 N ATOM 548 CA LYS A 39 -11.025 -14.099 -6.736 1.00 0.00 C ATOM 549 C LYS A 39 -11.391 -12.614 -6.786 1.00 0.00 C ATOM 550 O LYS A 39 -12.523 -12.260 -7.111 1.00 0.00 O ATOM 551 CB LYS A 39 -11.763 -14.877 -5.645 1.00 0.00 C ATOM 552 CG LYS A 39 -11.460 -16.373 -5.739 1.00 0.00 C ATOM 553 CD LYS A 39 -12.290 -17.166 -4.727 1.00 0.00 C ATOM 554 CE LYS A 39 -13.657 -17.534 -5.307 1.00 0.00 C ATOM 555 NZ LYS A 39 -13.549 -18.737 -6.162 1.00 0.00 N ATOM 0 H LYS A 39 -9.251 -14.102 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.344 -14.539 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.468 -14.503 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.836 -14.713 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.673 -16.728 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.399 -16.545 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.755 -18.073 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.423 -16.577 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.365 -17.717 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.048 -16.700 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.485 -18.974 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.889 -18.549 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.196 -19.535 -5.596 1.00 0.00 H new ATOM 565 N GLY A 40 -10.410 -11.784 -6.461 1.00 0.00 N ATOM 566 CA GLY A 40 -10.494 -10.368 -6.775 1.00 0.00 C ATOM 567 C GLY A 40 -11.337 -9.624 -5.737 1.00 0.00 C ATOM 568 O GLY A 40 -11.669 -8.455 -5.924 1.00 0.00 O ATOM 0 H GLY A 40 -9.554 -12.065 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.492 -9.940 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.931 -10.237 -7.765 1.00 0.00 H new ATOM 572 N ASN A 41 -11.660 -10.334 -4.666 1.00 0.00 N ATOM 573 CA ASN A 41 -12.905 -10.094 -3.956 1.00 0.00 C ATOM 574 C ASN A 41 -12.608 -9.357 -2.649 1.00 0.00 C ATOM 575 O ASN A 41 -13.237 -9.624 -1.626 1.00 0.00 O ATOM 576 CB ASN A 41 -13.603 -11.411 -3.609 1.00 0.00 C ATOM 577 CG ASN A 41 -12.744 -12.255 -2.664 1.00 0.00 C ATOM 578 OD1 ASN A 41 -11.567 -12.485 -2.892 1.00 0.00 O ATOM 579 ND2 ASN A 41 -13.396 -12.701 -1.595 1.00 0.00 N ATOM 0 H ASN A 41 -11.081 -11.076 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.553 -9.501 -4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.567 -11.204 -3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.804 -11.972 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.911 -13.273 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.381 -12.471 -1.466 1.00 0.00 H new ATOM 585 N LEU A 42 -11.651 -8.444 -2.725 1.00 0.00 N ATOM 586 CA LEU A 42 -11.229 -7.703 -1.550 1.00 0.00 C ATOM 587 C LEU A 42 -12.401 -6.870 -1.028 1.00 0.00 C ATOM 588 O LEU A 42 -12.573 -6.721 0.181 1.00 0.00 O ATOM 589 CB LEU A 42 -9.978 -6.878 -1.857 1.00 0.00 C ATOM 590 CG LEU A 42 -9.410 -6.060 -0.696 1.00 0.00 C ATOM 591 CD1 LEU A 42 -8.778 -6.970 0.359 1.00 0.00 C ATOM 592 CD2 LEU A 42 -8.430 -4.998 -1.198 1.00 0.00 C ATOM 0 H LEU A 42 -11.156 -8.201 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.944 -8.388 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.200 -7.554 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.209 -6.197 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.235 -5.534 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.382 -6.363 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.532 -7.653 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.969 -7.543 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.042 -4.432 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.604 -5.482 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.944 -4.322 -1.881 1.00 0.00 H new ATOM 603 N ALA A 43 -13.180 -6.350 -1.966 1.00 0.00 N ATOM 604 CA ALA A 43 -14.228 -5.403 -1.628 1.00 0.00 C ATOM 605 C ALA A 43 -15.433 -6.162 -1.068 1.00 0.00 C ATOM 606 O ALA A 43 -16.372 -5.553 -0.557 1.00 0.00 O ATOM 607 CB ALA A 43 -14.584 -4.573 -2.863 1.00 0.00 C ATOM 0 H ALA A 43 -13.106 -6.567 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.887 -4.711 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -15.371 -3.862 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.702 -4.031 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.934 -5.233 -3.657 1.00 0.00 H new ATOM 613 N ASP A 44 -15.367 -7.480 -1.184 1.00 0.00 N ATOM 614 CA ASP A 44 -16.496 -8.320 -0.821 1.00 0.00 C ATOM 615 C ASP A 44 -16.299 -8.845 0.603 1.00 0.00 C ATOM 616 O ASP A 44 -17.267 -9.043 1.335 1.00 0.00 O ATOM 617 CB ASP A 44 -16.611 -9.524 -1.758 1.00 0.00 C ATOM 618 CG ASP A 44 -17.213 -10.780 -1.126 1.00 0.00 C ATOM 619 OD1 ASP A 44 -18.435 -10.752 -0.863 1.00 0.00 O ATOM 620 OD2 ASP A 44 -16.439 -11.741 -0.922 1.00 0.00 O ATOM 0 H ASP A 44 -14.550 -7.987 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.402 -7.718 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.220 -9.240 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.618 -9.766 -2.137 1.00 0.00 H new ATOM 624 N VAL A 45 -15.039 -9.058 0.951 1.00 0.00 N ATOM 625 CA VAL A 45 -14.700 -9.539 2.279 1.00 0.00 C ATOM 626 C VAL A 45 -14.503 -8.345 3.216 1.00 0.00 C ATOM 627 O VAL A 45 -14.553 -8.493 4.435 1.00 0.00 O ATOM 628 CB VAL A 45 -13.476 -10.454 2.209 1.00 0.00 C ATOM 629 CG1 VAL A 45 -13.808 -11.762 1.489 1.00 0.00 C ATOM 630 CG2 VAL A 45 -12.299 -9.742 1.540 1.00 0.00 C ATOM 0 H VAL A 45 -14.240 -8.906 0.336 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.514 -10.139 2.686 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.183 -10.701 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.920 -12.393 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.602 -12.282 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.139 -11.544 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.441 -10.414 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.577 -9.452 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.038 -8.852 2.113 1.00 0.00 H new ATOM 640 N ALA A 46 -14.281 -7.189 2.608 1.00 0.00 N ATOM 641 CA ALA A 46 -13.916 -6.004 3.365 1.00 0.00 C ATOM 642 C ALA A 46 -14.318 -4.756 2.576 1.00 0.00 C ATOM 643 O ALA A 46 -13.468 -4.084 1.994 1.00 0.00 O ATOM 644 CB ALA A 46 -12.418 -6.039 3.676 1.00 0.00 C ATOM 0 H ALA A 46 -14.347 -7.048 1.600 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.447 -5.978 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.143 -5.150 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.189 -6.929 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.853 -6.063 2.744 1.00 0.00 H new ATOM 650 N PRO A 47 -15.649 -4.476 2.583 1.00 0.00 N ATOM 651 CA PRO A 47 -16.200 -3.436 1.732 1.00 0.00 C ATOM 652 C PRO A 47 -15.870 -2.046 2.282 1.00 0.00 C ATOM 653 O PRO A 47 -16.256 -1.710 3.399 1.00 0.00 O ATOM 654 CB PRO A 47 -17.692 -3.716 1.683 1.00 0.00 C ATOM 655 CG PRO A 47 -17.986 -4.615 2.872 1.00 0.00 C ATOM 656 CD PRO A 47 -16.661 -5.142 3.398 1.00 0.00 C ATOM 0 HA PRO A 47 -15.774 -3.444 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.265 -2.791 1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -17.968 -4.203 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -18.511 -4.060 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -18.634 -5.440 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.534 -4.910 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -16.599 -6.226 3.300 1.00 0.00 H new ATOM 661 N GLY A 48 -15.158 -1.278 1.470 1.00 0.00 N ATOM 662 CA GLY A 48 -14.842 0.095 1.826 1.00 0.00 C ATOM 663 C GLY A 48 -13.389 0.220 2.292 1.00 0.00 C ATOM 664 O GLY A 48 -12.850 1.322 2.363 1.00 0.00 O ATOM 0 H GLY A 48 -14.791 -1.580 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.009 0.745 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.512 0.433 2.617 1.00 0.00 H new ATOM 668 N LYS A 49 -12.798 -0.926 2.594 1.00 0.00 N ATOM 669 CA LYS A 49 -11.425 -0.957 3.069 1.00 0.00 C ATOM 670 C LYS A 49 -10.487 -1.197 1.886 1.00 0.00 C ATOM 671 O LYS A 49 -10.937 -1.513 0.785 1.00 0.00 O ATOM 672 CB LYS A 49 -11.272 -1.984 4.194 1.00 0.00 C ATOM 673 CG LYS A 49 -12.000 -1.526 5.459 1.00 0.00 C ATOM 674 CD LYS A 49 -11.919 -2.590 6.554 1.00 0.00 C ATOM 675 CE LYS A 49 -12.415 -2.038 7.893 1.00 0.00 C ATOM 676 NZ LYS A 49 -13.857 -1.720 7.820 1.00 0.00 N ATOM 0 H LYS A 49 -13.244 -1.840 2.519 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.150 0.003 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.670 -2.946 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.215 -2.134 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.561 -0.595 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.044 -1.317 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.517 -3.456 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.890 -2.933 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.237 -2.768 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.852 -1.142 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.200 -1.444 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.006 -0.936 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.381 -2.557 7.493 1.00 0.00 H new ATOM 686 N SER A 50 -9.198 -1.037 2.152 1.00 0.00 N ATOM 687 CA SER A 50 -8.190 -1.259 1.129 1.00 0.00 C ATOM 688 C SER A 50 -6.979 -1.971 1.734 1.00 0.00 C ATOM 689 O SER A 50 -6.934 -2.213 2.939 1.00 0.00 O ATOM 690 CB SER A 50 -7.761 0.061 0.483 1.00 0.00 C ATOM 691 OG SER A 50 -8.821 0.662 -0.255 1.00 0.00 O ATOM 0 H SER A 50 -8.829 -0.756 3.061 1.00 0.00 H new ATOM 0 HA SER A 50 -8.624 -1.889 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.421 0.750 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.914 -0.118 -0.179 1.00 0.00 H new ATOM 0 HG SER A 50 -8.980 0.150 -1.075 1.00 0.00 H new ATOM 696 N ILE A 51 -6.026 -2.289 0.870 1.00 0.00 N ATOM 697 CA ILE A 51 -4.726 -2.749 1.324 1.00 0.00 C ATOM 698 C ILE A 51 -3.827 -1.540 1.594 1.00 0.00 C ATOM 699 O ILE A 51 -3.846 -0.568 0.841 1.00 0.00 O ATOM 700 CB ILE A 51 -4.131 -3.746 0.328 1.00 0.00 C ATOM 701 CG1 ILE A 51 -5.107 -4.892 0.052 1.00 0.00 C ATOM 702 CG2 ILE A 51 -2.770 -4.254 0.807 1.00 0.00 C ATOM 703 CD1 ILE A 51 -4.966 -5.996 1.101 1.00 0.00 C ATOM 0 H ILE A 51 -6.129 -2.237 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.823 -3.292 2.264 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.966 -3.229 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.129 -4.513 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.921 -5.302 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.369 -4.961 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.084 -3.413 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.885 -4.750 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.671 -6.798 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.950 -6.390 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.177 -5.588 2.089 1.00 0.00 H new ATOM 714 N GLY A 52 -3.063 -1.640 2.672 1.00 0.00 N ATOM 715 CA GLY A 52 -2.116 -0.592 3.018 1.00 0.00 C ATOM 716 C GLY A 52 -1.324 -0.963 4.273 1.00 0.00 C ATOM 717 O GLY A 52 -1.839 -1.640 5.160 1.00 0.00 O ATOM 0 H GLY A 52 -3.080 -2.430 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.431 -0.427 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.649 0.345 3.183 1.00 0.00 H new ATOM 721 N GLY A 53 -0.082 -0.502 4.306 1.00 0.00 N ATOM 722 CA GLY A 53 0.804 -0.817 5.414 1.00 0.00 C ATOM 723 C GLY A 53 1.697 -2.013 5.079 1.00 0.00 C ATOM 724 O GLY A 53 2.686 -2.265 5.764 1.00 0.00 O ATOM 0 H GLY A 53 0.332 0.087 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.423 0.049 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.215 -1.037 6.304 1.00 0.00 H new ATOM 728 N ASP A 54 1.315 -2.718 4.024 1.00 0.00 N ATOM 729 CA ASP A 54 2.123 -3.820 3.528 1.00 0.00 C ATOM 730 C ASP A 54 3.518 -3.302 3.169 1.00 0.00 C ATOM 731 O ASP A 54 3.764 -2.097 3.201 1.00 0.00 O ATOM 732 CB ASP A 54 1.507 -4.431 2.268 1.00 0.00 C ATOM 733 CG ASP A 54 0.486 -5.541 2.520 1.00 0.00 C ATOM 734 OD1 ASP A 54 0.931 -6.703 2.652 1.00 0.00 O ATOM 735 OD2 ASP A 54 -0.717 -5.205 2.577 1.00 0.00 O ATOM 0 H ASP A 54 0.457 -2.548 3.499 1.00 0.00 H new ATOM 0 HA ASP A 54 2.174 -4.579 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.025 -3.638 1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.309 -4.830 1.647 1.00 0.00 H new ATOM 739 N ILE A 55 4.393 -4.238 2.833 1.00 0.00 N ATOM 740 CA ILE A 55 5.735 -3.887 2.399 1.00 0.00 C ATOM 741 C ILE A 55 5.744 -3.703 0.880 1.00 0.00 C ATOM 742 O ILE A 55 4.927 -4.295 0.175 1.00 0.00 O ATOM 743 CB ILE A 55 6.747 -4.920 2.900 1.00 0.00 C ATOM 744 CG1 ILE A 55 6.635 -5.109 4.413 1.00 0.00 C ATOM 745 CG2 ILE A 55 8.168 -4.547 2.472 1.00 0.00 C ATOM 746 CD1 ILE A 55 6.426 -3.767 5.119 1.00 0.00 C ATOM 0 H ILE A 55 4.199 -5.239 2.852 1.00 0.00 H new ATOM 0 HA ILE A 55 6.041 -2.937 2.837 1.00 0.00 H new ATOM 0 HB ILE A 55 6.513 -5.879 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.803 -5.776 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.539 -5.586 4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.868 -5.297 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.221 -4.505 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.429 -3.573 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.349 -3.929 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.271 -3.111 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.509 -3.304 4.756 1.00 0.00 H new ATOM 757 N PHE A 56 6.676 -2.881 0.421 1.00 0.00 N ATOM 758 CA PHE A 56 6.925 -2.755 -1.005 1.00 0.00 C ATOM 759 C PHE A 56 8.187 -3.521 -1.410 1.00 0.00 C ATOM 760 O PHE A 56 9.197 -3.475 -0.710 1.00 0.00 O ATOM 761 CB PHE A 56 7.132 -1.267 -1.292 1.00 0.00 C ATOM 762 CG PHE A 56 7.772 -0.979 -2.652 1.00 0.00 C ATOM 763 CD1 PHE A 56 7.203 -1.466 -3.788 1.00 0.00 C ATOM 764 CD2 PHE A 56 8.909 -0.238 -2.725 1.00 0.00 C ATOM 765 CE1 PHE A 56 7.797 -1.198 -5.049 1.00 0.00 C ATOM 766 CE2 PHE A 56 9.503 0.029 -3.987 1.00 0.00 C ATOM 767 CZ PHE A 56 8.935 -0.456 -5.123 1.00 0.00 C ATOM 0 H PHE A 56 7.268 -2.296 1.011 1.00 0.00 H new ATOM 0 HA PHE A 56 6.087 -3.165 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.168 -0.760 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.759 -0.840 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.300 -2.056 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.361 0.148 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.345 -1.584 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.407 0.618 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.386 -0.253 -6.083 1.00 0.00 H new ATOM 776 N SER A 57 8.086 -4.208 -2.539 1.00 0.00 N ATOM 777 CA SER A 57 9.231 -4.912 -3.090 1.00 0.00 C ATOM 778 C SER A 57 10.229 -3.911 -3.676 1.00 0.00 C ATOM 779 O SER A 57 10.218 -3.649 -4.878 1.00 0.00 O ATOM 780 CB SER A 57 8.797 -5.916 -4.160 1.00 0.00 C ATOM 781 OG SER A 57 8.089 -5.289 -5.225 1.00 0.00 O ATOM 0 H SER A 57 7.229 -4.292 -3.086 1.00 0.00 H new ATOM 0 HA SER A 57 9.712 -5.466 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.676 -6.424 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.166 -6.680 -3.706 1.00 0.00 H new ATOM 0 HG SER A 57 8.566 -4.479 -5.503 1.00 0.00 H new ATOM 786 N ASN A 58 11.068 -3.379 -2.800 1.00 0.00 N ATOM 787 CA ASN A 58 12.177 -2.548 -3.235 1.00 0.00 C ATOM 788 C ASN A 58 13.294 -3.440 -3.780 1.00 0.00 C ATOM 789 O ASN A 58 14.359 -3.547 -3.174 1.00 0.00 O ATOM 790 CB ASN A 58 12.746 -1.735 -2.070 1.00 0.00 C ATOM 791 CG ASN A 58 13.748 -0.691 -2.568 1.00 0.00 C ATOM 792 OD1 ASN A 58 14.931 -0.949 -2.717 1.00 0.00 O ATOM 793 ND2 ASN A 58 13.209 0.499 -2.817 1.00 0.00 N ATOM 0 H ASN A 58 11.002 -3.507 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 58 11.808 -1.868 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.934 -1.240 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.234 -2.403 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.794 1.263 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.210 0.647 -2.671 1.00 0.00 H new ATOM 799 N ARG A 59 13.012 -4.057 -4.917 1.00 0.00 N ATOM 800 CA ARG A 59 13.948 -4.997 -5.511 1.00 0.00 C ATOM 801 C ARG A 59 14.828 -4.291 -6.544 1.00 0.00 C ATOM 802 O ARG A 59 16.051 -4.409 -6.507 1.00 0.00 O ATOM 803 CB ARG A 59 13.212 -6.157 -6.185 1.00 0.00 C ATOM 804 CG ARG A 59 14.193 -7.237 -6.643 1.00 0.00 C ATOM 805 CD ARG A 59 14.677 -8.076 -5.459 1.00 0.00 C ATOM 806 NE ARG A 59 15.531 -9.186 -5.941 1.00 0.00 N ATOM 807 CZ ARG A 59 16.110 -10.089 -5.139 1.00 0.00 C ATOM 808 NH1 ARG A 59 15.929 -10.023 -3.813 1.00 0.00 N ATOM 809 NH2 ARG A 59 16.871 -11.060 -5.664 1.00 0.00 N ATOM 0 H ARG A 59 12.148 -3.925 -5.443 1.00 0.00 H new ATOM 0 HA ARG A 59 14.571 -5.394 -4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.491 -6.587 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.648 -5.786 -7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.712 -7.882 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.046 -6.772 -7.137 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.237 -7.450 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.823 -8.475 -4.912 1.00 0.00 H new ATOM 0 HE ARG A 59 15.688 -9.268 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.350 -9.285 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.370 -10.711 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.009 -11.111 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.312 -11.748 -5.054 1.00 0.00 H new ATOM 820 N GLU A 60 14.170 -3.571 -7.441 1.00 0.00 N ATOM 821 CA GLU A 60 14.872 -2.891 -8.516 1.00 0.00 C ATOM 822 C GLU A 60 15.568 -1.636 -7.985 1.00 0.00 C ATOM 823 O GLU A 60 16.535 -1.162 -8.578 1.00 0.00 O ATOM 824 CB GLU A 60 13.918 -2.546 -9.662 1.00 0.00 C ATOM 825 CG GLU A 60 13.451 -3.810 -10.387 1.00 0.00 C ATOM 826 CD GLU A 60 14.579 -4.406 -11.231 1.00 0.00 C ATOM 827 OE1 GLU A 60 14.898 -3.787 -12.269 1.00 0.00 O ATOM 828 OE2 GLU A 60 15.098 -5.466 -10.819 1.00 0.00 O ATOM 0 H GLU A 60 13.158 -3.444 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 60 15.632 -3.565 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.055 -2.007 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.417 -1.881 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.109 -4.546 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.600 -3.574 -11.026 1.00 0.00 H new ATOM 833 N GLY A 61 15.050 -1.136 -6.874 1.00 0.00 N ATOM 834 CA GLY A 61 15.570 0.089 -6.290 1.00 0.00 C ATOM 835 C GLY A 61 15.102 1.314 -7.078 1.00 0.00 C ATOM 836 O GLY A 61 15.877 2.239 -7.314 1.00 0.00 O ATOM 0 H GLY A 61 14.275 -1.557 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.240 0.171 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.659 0.056 -6.276 1.00 0.00 H new ATOM 840 N LYS A 62 13.834 1.279 -7.465 1.00 0.00 N ATOM 841 CA LYS A 62 13.227 2.415 -8.140 1.00 0.00 C ATOM 842 C LYS A 62 13.094 3.577 -7.153 1.00 0.00 C ATOM 843 O LYS A 62 13.229 4.738 -7.536 1.00 0.00 O ATOM 844 CB LYS A 62 11.904 2.005 -8.790 1.00 0.00 C ATOM 845 CG LYS A 62 12.142 1.056 -9.967 1.00 0.00 C ATOM 846 CD LYS A 62 12.622 1.821 -11.201 1.00 0.00 C ATOM 847 CE LYS A 62 12.419 0.995 -12.472 1.00 0.00 C ATOM 848 NZ LYS A 62 13.138 -0.295 -12.373 1.00 0.00 N ATOM 0 H LYS A 62 13.212 0.483 -7.324 1.00 0.00 H new ATOM 0 HA LYS A 62 13.863 2.760 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.266 1.520 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.374 2.893 -9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.882 0.306 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.220 0.523 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.078 2.762 -11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.677 2.071 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.356 0.814 -12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.779 1.553 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.191 -0.736 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.100 -0.130 -12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.629 -0.927 -11.723 1.00 0.00 H new ATOM 858 N LEU A 63 12.832 3.223 -5.904 1.00 0.00 N ATOM 859 CA LEU A 63 12.925 4.186 -4.819 1.00 0.00 C ATOM 860 C LEU A 63 14.346 4.176 -4.255 1.00 0.00 C ATOM 861 O LEU A 63 15.097 3.226 -4.469 1.00 0.00 O ATOM 862 CB LEU A 63 11.844 3.916 -3.770 1.00 0.00 C ATOM 863 CG LEU A 63 10.397 4.047 -4.248 1.00 0.00 C ATOM 864 CD1 LEU A 63 9.423 3.486 -3.210 1.00 0.00 C ATOM 865 CD2 LEU A 63 10.070 5.496 -4.615 1.00 0.00 C ATOM 0 H LEU A 63 12.555 2.284 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 63 12.735 5.195 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.987 2.908 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.994 4.603 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 63 10.282 3.451 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.401 3.592 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.640 2.432 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.532 4.035 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.035 5.561 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.208 6.133 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.733 5.827 -5.414 1.00 0.00 H new ATOM 876 N PRO A 64 14.682 5.274 -3.525 1.00 0.00 N ATOM 877 CA PRO A 64 15.987 5.384 -2.896 1.00 0.00 C ATOM 878 C PRO A 64 16.076 4.491 -1.658 1.00 0.00 C ATOM 879 O PRO A 64 15.124 3.787 -1.326 1.00 0.00 O ATOM 880 CB PRO A 64 16.147 6.861 -2.575 1.00 0.00 C ATOM 881 CG PRO A 64 14.745 7.449 -2.611 1.00 0.00 C ATOM 882 CD PRO A 64 13.832 6.435 -3.280 1.00 0.00 C ATOM 0 HA PRO A 64 16.795 5.041 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.604 7.001 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.795 7.351 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.397 7.669 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 64 14.739 8.390 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.988 6.179 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.419 6.827 -4.210 1.00 0.00 H new ATOM 887 N GLY A 65 17.229 4.548 -1.007 1.00 0.00 N ATOM 888 CA GLY A 65 17.363 3.993 0.329 1.00 0.00 C ATOM 889 C GLY A 65 18.651 3.178 0.459 1.00 0.00 C ATOM 890 O GLY A 65 19.339 2.936 -0.532 1.00 0.00 O ATOM 0 H GLY A 65 18.079 4.970 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.363 4.799 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.504 3.360 0.551 1.00 0.00 H new ATOM 894 N LYS A 66 18.939 2.776 1.688 1.00 0.00 N ATOM 895 CA LYS A 66 20.083 1.920 1.947 1.00 0.00 C ATOM 896 C LYS A 66 19.615 0.651 2.661 1.00 0.00 C ATOM 897 O LYS A 66 18.442 0.527 3.008 1.00 0.00 O ATOM 898 CB LYS A 66 21.167 2.688 2.707 1.00 0.00 C ATOM 899 CG LYS A 66 21.913 3.648 1.777 1.00 0.00 C ATOM 900 CD LYS A 66 23.049 2.930 1.046 1.00 0.00 C ATOM 901 CE LYS A 66 24.317 2.894 1.901 1.00 0.00 C ATOM 902 NZ LYS A 66 25.401 2.180 1.192 1.00 0.00 N ATOM 0 H LYS A 66 18.399 3.028 2.516 1.00 0.00 H new ATOM 0 HA LYS A 66 20.543 1.608 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.715 3.247 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.872 1.985 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.218 4.070 1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.316 4.480 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 66 22.743 1.913 0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 66 23.256 3.436 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 66 24.635 3.910 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 66 24.109 2.400 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 26.254 2.165 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 25.101 1.204 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 25.611 2.668 0.298 1.00 0.00 H new ATOM 912 N SER A 67 20.556 -0.260 2.859 1.00 0.00 N ATOM 913 CA SER A 67 20.268 -1.490 3.579 1.00 0.00 C ATOM 914 C SER A 67 19.971 -1.178 5.047 1.00 0.00 C ATOM 915 O SER A 67 20.877 -1.166 5.879 1.00 0.00 O ATOM 916 CB SER A 67 21.433 -2.476 3.471 1.00 0.00 C ATOM 917 OG SER A 67 21.611 -2.948 2.138 1.00 0.00 O ATOM 0 H SER A 67 21.519 -0.172 2.534 1.00 0.00 H new ATOM 0 HA SER A 67 19.391 -1.954 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 67 22.349 -1.993 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.255 -3.322 4.134 1.00 0.00 H new ATOM 0 HG SER A 67 22.365 -3.573 2.110 1.00 0.00 H new ATOM 922 N GLY A 68 18.698 -0.934 5.321 1.00 0.00 N ATOM 923 CA GLY A 68 18.274 -0.595 6.669 1.00 0.00 C ATOM 924 C GLY A 68 16.937 0.148 6.652 1.00 0.00 C ATOM 925 O GLY A 68 16.019 -0.202 7.393 1.00 0.00 O ATOM 0 H GLY A 68 17.946 -0.964 4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 68 18.182 -1.503 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.032 0.024 7.148 1.00 0.00 H new ATOM 929 N ARG A 69 16.868 1.159 5.799 1.00 0.00 N ATOM 930 CA ARG A 69 15.597 1.786 5.481 1.00 0.00 C ATOM 931 C ARG A 69 14.659 0.775 4.817 1.00 0.00 C ATOM 932 O ARG A 69 15.079 0.004 3.956 1.00 0.00 O ATOM 933 CB ARG A 69 15.790 2.981 4.546 1.00 0.00 C ATOM 934 CG ARG A 69 14.459 3.417 3.931 1.00 0.00 C ATOM 935 CD ARG A 69 14.648 4.629 3.016 1.00 0.00 C ATOM 936 NE ARG A 69 14.979 5.825 3.823 1.00 0.00 N ATOM 937 CZ ARG A 69 16.157 6.463 3.772 1.00 0.00 C ATOM 938 NH1 ARG A 69 17.267 5.793 3.435 1.00 0.00 N ATOM 939 NH2 ARG A 69 16.225 7.770 4.061 1.00 0.00 N ATOM 0 H ARG A 69 17.673 1.560 5.318 1.00 0.00 H new ATOM 0 HA ARG A 69 15.158 2.137 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.229 3.812 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.492 2.718 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.029 2.592 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.751 3.662 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.444 4.433 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.739 4.807 2.442 1.00 0.00 H new ATOM 0 HE ARG A 69 14.267 6.186 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.216 4.798 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.163 6.278 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.380 8.280 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.121 8.255 4.022 1.00 0.00 H new ATOM 950 N THR A 70 13.404 0.812 5.245 1.00 0.00 N ATOM 951 CA THR A 70 12.376 0.001 4.615 1.00 0.00 C ATOM 952 C THR A 70 11.375 0.890 3.875 1.00 0.00 C ATOM 953 O THR A 70 11.308 2.094 4.122 1.00 0.00 O ATOM 954 CB THR A 70 11.733 -0.870 5.695 1.00 0.00 C ATOM 955 OG1 THR A 70 12.776 -1.073 6.645 1.00 0.00 O ATOM 956 CG2 THR A 70 11.405 -2.278 5.195 1.00 0.00 C ATOM 0 H THR A 70 13.077 1.390 6.019 1.00 0.00 H new ATOM 0 HA THR A 70 12.800 -0.657 3.857 1.00 0.00 H new ATOM 0 HB THR A 70 10.821 -0.390 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.444 -1.628 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.951 -2.854 6.001 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.709 -2.214 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.321 -2.771 4.869 1.00 0.00 H new ATOM 964 N TRP A 71 10.621 0.264 2.985 1.00 0.00 N ATOM 965 CA TRP A 71 9.548 0.957 2.292 1.00 0.00 C ATOM 966 C TRP A 71 8.241 0.216 2.582 1.00 0.00 C ATOM 967 O TRP A 71 8.229 -1.010 2.688 1.00 0.00 O ATOM 968 CB TRP A 71 9.849 1.077 0.796 1.00 0.00 C ATOM 969 CG TRP A 71 11.045 1.973 0.473 1.00 0.00 C ATOM 970 CD1 TRP A 71 12.332 1.618 0.348 1.00 0.00 C ATOM 971 CD2 TRP A 71 11.015 3.396 0.234 1.00 0.00 C ATOM 972 NE1 TRP A 71 13.129 2.704 0.050 1.00 0.00 N ATOM 973 CE2 TRP A 71 12.302 3.820 -0.022 1.00 0.00 C ATOM 974 CE3 TRP A 71 9.935 4.296 0.237 1.00 0.00 C ATOM 975 CZ2 TRP A 71 12.631 5.154 -0.296 1.00 0.00 C ATOM 976 CZ3 TRP A 71 10.279 5.625 -0.039 1.00 0.00 C ATOM 977 CH2 TRP A 71 11.570 6.067 -0.300 1.00 0.00 C ATOM 0 H TRP A 71 10.731 -0.717 2.727 1.00 0.00 H new ATOM 0 HA TRP A 71 9.454 1.981 2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 71 10.034 0.082 0.392 1.00 0.00 H new ATOM 0 HB3 TRP A 71 8.967 1.468 0.289 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.699 0.609 0.466 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.139 2.691 -0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.920 3.987 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.647 5.461 -0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.485 6.357 -0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.754 7.111 -0.505 1.00 0.00 H new ATOM 987 N ARG A 72 7.172 0.990 2.700 1.00 0.00 N ATOM 988 CA ARG A 72 5.834 0.424 2.691 1.00 0.00 C ATOM 989 C ARG A 72 5.035 0.969 1.504 1.00 0.00 C ATOM 990 O ARG A 72 5.448 1.935 0.865 1.00 0.00 O ATOM 991 CB ARG A 72 5.090 0.748 3.988 1.00 0.00 C ATOM 992 CG ARG A 72 5.821 0.162 5.198 1.00 0.00 C ATOM 993 CD ARG A 72 5.149 0.593 6.505 1.00 0.00 C ATOM 994 NE ARG A 72 5.857 -0.006 7.659 1.00 0.00 N ATOM 995 CZ ARG A 72 5.625 -1.242 8.122 1.00 0.00 C ATOM 996 NH1 ARG A 72 4.772 -2.051 7.478 1.00 0.00 N ATOM 997 NH2 ARG A 72 6.247 -1.669 9.230 1.00 0.00 N ATOM 0 H ARG A 72 7.205 2.004 2.802 1.00 0.00 H new ATOM 0 HA ARG A 72 5.933 -0.658 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.001 1.828 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.077 0.347 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.830 -0.926 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.860 0.490 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.157 1.680 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.105 0.281 6.507 1.00 0.00 H new ATOM 0 HE ARG A 72 6.565 0.557 8.131 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.299 -1.726 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.596 -2.992 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.896 -1.053 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.071 -2.610 9.583 1.00 0.00 H new ATOM 1008 N GLU A 73 3.907 0.324 1.246 1.00 0.00 N ATOM 1009 CA GLU A 73 2.995 0.797 0.218 1.00 0.00 C ATOM 1010 C GLU A 73 1.593 0.988 0.801 1.00 0.00 C ATOM 1011 O GLU A 73 1.307 0.527 1.905 1.00 0.00 O ATOM 1012 CB GLU A 73 2.967 -0.162 -0.974 1.00 0.00 C ATOM 1013 CG GLU A 73 2.490 -1.552 -0.548 1.00 0.00 C ATOM 1014 CD GLU A 73 2.161 -2.416 -1.767 1.00 0.00 C ATOM 1015 OE1 GLU A 73 3.103 -2.685 -2.544 1.00 0.00 O ATOM 1016 OE2 GLU A 73 0.974 -2.787 -1.896 1.00 0.00 O ATOM 0 H GLU A 73 3.604 -0.521 1.730 1.00 0.00 H new ATOM 0 HA GLU A 73 3.353 1.761 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.307 0.232 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.963 -0.233 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.262 -2.038 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.608 -1.459 0.085 1.00 0.00 H new ATOM 1021 N ALA A 74 0.755 1.669 0.033 1.00 0.00 N ATOM 1022 CA ALA A 74 -0.646 1.809 0.393 1.00 0.00 C ATOM 1023 C ALA A 74 -1.465 2.101 -0.866 1.00 0.00 C ATOM 1024 O ALA A 74 -0.998 2.795 -1.767 1.00 0.00 O ATOM 1025 CB ALA A 74 -0.793 2.903 1.452 1.00 0.00 C ATOM 0 H ALA A 74 1.019 2.130 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.026 0.883 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.844 3.009 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.216 2.633 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.424 3.848 1.053 1.00 0.00 H new ATOM 1031 N ASP A 75 -2.673 1.557 -0.887 1.00 0.00 N ATOM 1032 CA ASP A 75 -3.523 1.665 -2.060 1.00 0.00 C ATOM 1033 C ASP A 75 -4.026 3.105 -2.188 1.00 0.00 C ATOM 1034 O ASP A 75 -4.560 3.667 -1.234 1.00 0.00 O ATOM 1035 CB ASP A 75 -4.741 0.748 -1.944 1.00 0.00 C ATOM 1036 CG ASP A 75 -4.435 -0.748 -2.027 1.00 0.00 C ATOM 1037 OD1 ASP A 75 -3.246 -1.073 -2.242 1.00 0.00 O ATOM 1038 OD2 ASP A 75 -5.394 -1.534 -1.875 1.00 0.00 O ATOM 0 H ASP A 75 -3.083 1.040 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.935 1.375 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.239 0.949 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.446 1.004 -2.735 1.00 0.00 H new ATOM 1042 N ILE A 76 -3.836 3.660 -3.376 1.00 0.00 N ATOM 1043 CA ILE A 76 -4.431 4.944 -3.706 1.00 0.00 C ATOM 1044 C ILE A 76 -5.587 4.729 -4.684 1.00 0.00 C ATOM 1045 O ILE A 76 -5.504 3.882 -5.572 1.00 0.00 O ATOM 1046 CB ILE A 76 -3.364 5.914 -4.219 1.00 0.00 C ATOM 1047 CG1 ILE A 76 -2.239 6.082 -3.195 1.00 0.00 C ATOM 1048 CG2 ILE A 76 -3.986 7.255 -4.613 1.00 0.00 C ATOM 1049 CD1 ILE A 76 -2.804 6.396 -1.807 1.00 0.00 C ATOM 0 H ILE A 76 -3.278 3.244 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.850 5.410 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.920 5.489 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.643 5.171 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.572 6.884 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.206 7.926 -4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.722 7.097 -5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.473 7.699 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.984 6.511 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.379 7.321 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.451 5.580 -1.485 1.00 0.00 H new ATOM 1060 N ASN A 77 -6.639 5.510 -4.490 1.00 0.00 N ATOM 1061 CA ASN A 77 -7.617 5.727 -5.542 1.00 0.00 C ATOM 1062 C ASN A 77 -8.386 4.428 -5.792 1.00 0.00 C ATOM 1063 O ASN A 77 -9.117 4.314 -6.775 1.00 0.00 O ATOM 1064 CB ASN A 77 -6.936 6.132 -6.850 1.00 0.00 C ATOM 1065 CG ASN A 77 -6.483 7.593 -6.803 1.00 0.00 C ATOM 1066 OD1 ASN A 77 -6.653 8.291 -5.817 1.00 0.00 O ATOM 1067 ND2 ASN A 77 -5.895 8.013 -7.920 1.00 0.00 N ATOM 0 H ASN A 77 -6.836 6.001 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.287 6.525 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.077 5.487 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.625 5.988 -7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.554 8.972 -7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.785 7.376 -8.709 1.00 0.00 H new ATOM 1073 N TYR A 78 -8.196 3.481 -4.885 1.00 0.00 N ATOM 1074 CA TYR A 78 -8.909 2.217 -4.962 1.00 0.00 C ATOM 1075 C TYR A 78 -10.407 2.417 -4.721 1.00 0.00 C ATOM 1076 O TYR A 78 -10.801 3.140 -3.807 1.00 0.00 O ATOM 1077 CB TYR A 78 -8.337 1.342 -3.845 1.00 0.00 C ATOM 1078 CG TYR A 78 -9.020 -0.020 -3.710 1.00 0.00 C ATOM 1079 CD1 TYR A 78 -10.171 -0.143 -2.957 1.00 0.00 C ATOM 1080 CD2 TYR A 78 -8.487 -1.125 -4.341 1.00 0.00 C ATOM 1081 CE1 TYR A 78 -10.813 -1.426 -2.830 1.00 0.00 C ATOM 1082 CE2 TYR A 78 -9.130 -2.407 -4.215 1.00 0.00 C ATOM 1083 CZ TYR A 78 -10.261 -2.494 -3.466 1.00 0.00 C ATOM 1084 OH TYR A 78 -10.868 -3.706 -3.346 1.00 0.00 O ATOM 0 H TYR A 78 -7.559 3.564 -4.093 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.789 1.768 -5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.274 1.187 -4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.424 1.876 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.589 0.722 -2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.587 -1.028 -4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.713 -1.538 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.723 -3.280 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.637 -4.265 -4.117 1.00 0.00 H new ATOM 1093 N THR A 79 -11.200 1.764 -5.557 1.00 0.00 N ATOM 1094 CA THR A 79 -12.636 1.718 -5.344 1.00 0.00 C ATOM 1095 C THR A 79 -13.066 0.318 -4.902 1.00 0.00 C ATOM 1096 O THR A 79 -13.397 0.105 -3.736 1.00 0.00 O ATOM 1097 CB THR A 79 -13.320 2.187 -6.630 1.00 0.00 C ATOM 1098 OG1 THR A 79 -12.862 1.269 -7.620 1.00 0.00 O ATOM 1099 CG2 THR A 79 -12.800 3.543 -7.110 1.00 0.00 C ATOM 0 H THR A 79 -10.875 1.262 -6.383 1.00 0.00 H new ATOM 0 HA THR A 79 -12.937 2.385 -4.537 1.00 0.00 H new ATOM 0 HB THR A 79 -14.396 2.249 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.258 1.498 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.319 3.828 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.980 4.295 -6.341 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.730 3.474 -7.306 1.00 0.00 H new ATOM 1107 N SER A 80 -13.048 -0.600 -5.857 1.00 0.00 N ATOM 1108 CA SER A 80 -13.404 -1.981 -5.575 1.00 0.00 C ATOM 1109 C SER A 80 -12.711 -2.914 -6.569 1.00 0.00 C ATOM 1110 O SER A 80 -12.241 -2.472 -7.617 1.00 0.00 O ATOM 1111 CB SER A 80 -14.920 -2.180 -5.627 1.00 0.00 C ATOM 1112 OG SER A 80 -15.462 -1.819 -6.895 1.00 0.00 O ATOM 0 H SER A 80 -12.793 -0.415 -6.827 1.00 0.00 H new ATOM 0 HA SER A 80 -13.068 -2.222 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.156 -3.223 -5.415 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.391 -1.582 -4.847 1.00 0.00 H new ATOM 0 HG SER A 80 -16.432 -1.962 -6.889 1.00 0.00 H new ATOM 1117 N GLY A 81 -12.669 -4.187 -6.207 1.00 0.00 N ATOM 1118 CA GLY A 81 -12.109 -5.198 -7.087 1.00 0.00 C ATOM 1119 C GLY A 81 -10.668 -5.530 -6.693 1.00 0.00 C ATOM 1120 O GLY A 81 -10.328 -5.531 -5.511 1.00 0.00 O ATOM 0 H GLY A 81 -13.014 -4.542 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.719 -6.101 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.136 -4.844 -8.117 1.00 0.00 H new ATOM 1124 N PHE A 82 -9.859 -5.805 -7.706 1.00 0.00 N ATOM 1125 CA PHE A 82 -8.490 -6.234 -7.476 1.00 0.00 C ATOM 1126 C PHE A 82 -7.621 -5.066 -7.008 1.00 0.00 C ATOM 1127 O PHE A 82 -8.066 -3.919 -7.003 1.00 0.00 O ATOM 1128 CB PHE A 82 -7.953 -6.752 -8.812 1.00 0.00 C ATOM 1129 CG PHE A 82 -8.410 -8.170 -9.158 1.00 0.00 C ATOM 1130 CD1 PHE A 82 -9.665 -8.382 -9.638 1.00 0.00 C ATOM 1131 CD2 PHE A 82 -7.562 -9.219 -8.988 1.00 0.00 C ATOM 1132 CE1 PHE A 82 -10.091 -9.698 -9.960 1.00 0.00 C ATOM 1133 CE2 PHE A 82 -7.987 -10.535 -9.310 1.00 0.00 C ATOM 1134 CZ PHE A 82 -9.242 -10.747 -9.789 1.00 0.00 C ATOM 0 H PHE A 82 -10.126 -5.739 -8.688 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.465 -7.002 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.269 -6.075 -9.606 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.864 -6.728 -8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.338 -7.549 -9.774 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.565 -9.051 -8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.088 -9.866 -10.340 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.313 -11.368 -9.174 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.565 -11.748 -10.034 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.396 -5.397 -6.627 1.00 0.00 N ATOM 1144 CA ARG A 83 -5.408 -4.378 -6.314 1.00 0.00 C ATOM 1145 C ARG A 83 -4.872 -3.746 -7.601 1.00 0.00 C ATOM 1146 O ARG A 83 -4.769 -4.415 -8.628 1.00 0.00 O ATOM 1147 CB ARG A 83 -4.241 -4.968 -5.520 1.00 0.00 C ATOM 1148 CG ARG A 83 -4.689 -5.387 -4.119 1.00 0.00 C ATOM 1149 CD ARG A 83 -4.005 -6.688 -3.690 1.00 0.00 C ATOM 1150 NE ARG A 83 -2.577 -6.660 -4.077 1.00 0.00 N ATOM 1151 CZ ARG A 83 -1.615 -6.066 -3.358 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -1.942 -5.275 -2.327 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -0.327 -6.262 -3.670 1.00 0.00 N ATOM 0 H ARG A 83 -6.065 -6.357 -6.528 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.898 -3.616 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.835 -5.830 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.439 -4.234 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.454 -4.596 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.771 -5.519 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.096 -6.818 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.500 -7.540 -4.156 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.308 -7.122 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.923 -5.125 -2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.210 -4.823 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.078 -6.864 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.405 -5.810 -3.122 1.00 0.00 H new ATOM 1164 N ASN A 84 -4.545 -2.466 -7.502 1.00 0.00 N ATOM 1165 CA ASN A 84 -4.470 -1.620 -8.681 1.00 0.00 C ATOM 1166 C ASN A 84 -3.010 -1.241 -8.939 1.00 0.00 C ATOM 1167 O ASN A 84 -2.097 -1.901 -8.445 1.00 0.00 O ATOM 1168 CB ASN A 84 -5.266 -0.329 -8.483 1.00 0.00 C ATOM 1169 CG ASN A 84 -4.641 0.537 -7.387 1.00 0.00 C ATOM 1170 OD1 ASN A 84 -3.768 0.115 -6.648 1.00 0.00 O ATOM 1171 ND2 ASN A 84 -5.137 1.770 -7.323 1.00 0.00 N ATOM 0 H ASN A 84 -4.329 -1.994 -6.624 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.886 -2.175 -9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.299 0.229 -9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.296 -0.569 -8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.786 2.425 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.868 2.060 -7.973 1.00 0.00 H new ATOM 1177 N SER A 85 -2.836 -0.181 -9.713 1.00 0.00 N ATOM 1178 CA SER A 85 -1.502 0.288 -10.051 1.00 0.00 C ATOM 1179 C SER A 85 -1.127 1.480 -9.167 1.00 0.00 C ATOM 1180 O SER A 85 0.017 1.599 -8.733 1.00 0.00 O ATOM 1181 CB SER A 85 -1.412 0.674 -11.529 1.00 0.00 C ATOM 1182 OG SER A 85 -2.540 1.436 -11.951 1.00 0.00 O ATOM 0 H SER A 85 -3.596 0.367 -10.116 1.00 0.00 H new ATOM 0 HA SER A 85 -0.798 -0.525 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.502 1.249 -11.699 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.337 -0.228 -12.136 1.00 0.00 H new ATOM 0 HG SER A 85 -2.444 1.664 -12.899 1.00 0.00 H new ATOM 1187 N ASP A 86 -2.113 2.331 -8.929 1.00 0.00 N ATOM 1188 CA ASP A 86 -1.888 3.538 -8.149 1.00 0.00 C ATOM 1189 C ASP A 86 -1.534 3.151 -6.712 1.00 0.00 C ATOM 1190 O ASP A 86 -2.311 2.476 -6.037 1.00 0.00 O ATOM 1191 CB ASP A 86 -3.145 4.410 -8.109 1.00 0.00 C ATOM 1192 CG ASP A 86 -3.969 4.416 -9.398 1.00 0.00 C ATOM 1193 OD1 ASP A 86 -4.595 3.371 -9.676 1.00 0.00 O ATOM 1194 OD2 ASP A 86 -3.955 5.467 -10.075 1.00 0.00 O ATOM 0 H ASP A 86 -3.070 2.210 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.077 4.097 -8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.780 4.069 -7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.851 5.434 -7.878 1.00 0.00 H new ATOM 1198 N ARG A 87 -0.362 3.597 -6.285 1.00 0.00 N ATOM 1199 CA ARG A 87 0.090 3.336 -4.928 1.00 0.00 C ATOM 1200 C ARG A 87 0.866 4.538 -4.386 1.00 0.00 C ATOM 1201 O ARG A 87 1.617 5.178 -5.120 1.00 0.00 O ATOM 1202 CB ARG A 87 0.982 2.095 -4.874 1.00 0.00 C ATOM 1203 CG ARG A 87 0.213 0.846 -5.311 1.00 0.00 C ATOM 1204 CD ARG A 87 -0.730 0.368 -4.205 1.00 0.00 C ATOM 1205 NE ARG A 87 -0.474 -1.057 -3.902 1.00 0.00 N ATOM 1206 CZ ARG A 87 -0.721 -2.063 -4.752 1.00 0.00 C ATOM 1207 NH1 ARG A 87 -1.447 -1.843 -5.857 1.00 0.00 N ATOM 1208 NH2 ARG A 87 -0.244 -3.289 -4.497 1.00 0.00 N ATOM 0 H ARG A 87 0.289 4.138 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.793 3.162 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.848 2.237 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.359 1.958 -3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.359 1.064 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.916 0.052 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.586 0.970 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.766 0.502 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.085 -1.289 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.811 -0.910 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.635 -2.608 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.307 -3.457 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.432 -4.054 -5.144 1.00 0.00 H new ATOM 1219 N ILE A 88 0.658 4.808 -3.106 1.00 0.00 N ATOM 1220 CA ILE A 88 1.529 5.718 -2.382 1.00 0.00 C ATOM 1221 C ILE A 88 2.613 4.914 -1.664 1.00 0.00 C ATOM 1222 O ILE A 88 2.313 3.963 -0.944 1.00 0.00 O ATOM 1223 CB ILE A 88 0.711 6.617 -1.452 1.00 0.00 C ATOM 1224 CG1 ILE A 88 1.520 7.843 -1.025 1.00 0.00 C ATOM 1225 CG2 ILE A 88 0.186 5.828 -0.251 1.00 0.00 C ATOM 1226 CD1 ILE A 88 0.670 8.790 -0.174 1.00 0.00 C ATOM 0 H ILE A 88 -0.101 4.412 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 88 2.036 6.392 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.157 6.981 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.396 7.526 -0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.884 8.369 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.392 6.489 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.450 5.015 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.026 5.417 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.268 9.654 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.192 9.124 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.328 8.268 0.720 1.00 0.00 H new ATOM 1237 N LEU A 89 3.854 5.326 -1.883 1.00 0.00 N ATOM 1238 CA LEU A 89 4.967 4.788 -1.120 1.00 0.00 C ATOM 1239 C LEU A 89 5.319 5.756 0.011 1.00 0.00 C ATOM 1240 O LEU A 89 5.234 6.972 -0.158 1.00 0.00 O ATOM 1241 CB LEU A 89 6.145 4.468 -2.043 1.00 0.00 C ATOM 1242 CG LEU A 89 5.955 3.275 -2.983 1.00 0.00 C ATOM 1243 CD1 LEU A 89 6.027 1.954 -2.213 1.00 0.00 C ATOM 1244 CD2 LEU A 89 4.655 3.405 -3.778 1.00 0.00 C ATOM 0 H LEU A 89 4.113 6.026 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 89 4.688 3.842 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.359 5.350 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.025 4.283 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 89 6.773 3.273 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.889 1.122 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.000 1.867 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.243 1.931 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.545 2.545 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.810 3.446 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.682 4.318 -4.373 1.00 0.00 H new ATOM 1255 N TYR A 90 5.705 5.182 1.140 1.00 0.00 N ATOM 1256 CA TYR A 90 6.334 5.956 2.197 1.00 0.00 C ATOM 1257 C TYR A 90 7.291 5.088 3.017 1.00 0.00 C ATOM 1258 O TYR A 90 6.936 3.985 3.429 1.00 0.00 O ATOM 1259 CB TYR A 90 5.197 6.435 3.102 1.00 0.00 C ATOM 1260 CG TYR A 90 4.305 5.310 3.629 1.00 0.00 C ATOM 1261 CD1 TYR A 90 3.350 4.744 2.808 1.00 0.00 C ATOM 1262 CD2 TYR A 90 4.455 4.860 4.926 1.00 0.00 C ATOM 1263 CE1 TYR A 90 2.510 3.685 3.305 1.00 0.00 C ATOM 1264 CE2 TYR A 90 3.615 3.802 5.422 1.00 0.00 C ATOM 1265 CZ TYR A 90 2.684 3.266 4.587 1.00 0.00 C ATOM 1266 OH TYR A 90 1.891 2.266 5.056 1.00 0.00 O ATOM 0 H TYR A 90 5.594 4.189 1.347 1.00 0.00 H new ATOM 0 HA TYR A 90 6.911 6.780 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.623 6.974 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.581 7.145 2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.233 5.095 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.203 5.302 5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.759 3.234 2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.721 3.441 6.434 1.00 0.00 H new ATOM 0 HH TYR A 90 2.149 2.048 5.976 1.00 0.00 H new ATOM 1275 N SER A 91 8.486 5.619 3.229 1.00 0.00 N ATOM 1276 CA SER A 91 9.480 4.930 4.035 1.00 0.00 C ATOM 1277 C SER A 91 9.253 5.232 5.518 1.00 0.00 C ATOM 1278 O SER A 91 8.352 5.992 5.869 1.00 0.00 O ATOM 1279 CB SER A 91 10.897 5.330 3.623 1.00 0.00 C ATOM 1280 OG SER A 91 11.133 6.724 3.805 1.00 0.00 O ATOM 0 H SER A 91 8.789 6.519 2.856 1.00 0.00 H new ATOM 0 HA SER A 91 9.371 3.858 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.619 4.761 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.058 5.069 2.577 1.00 0.00 H new ATOM 0 HG SER A 91 12.020 6.857 4.199 1.00 0.00 H new ATOM 1285 N SER A 92 10.086 4.620 6.347 1.00 0.00 N ATOM 1286 CA SER A 92 10.021 4.855 7.780 1.00 0.00 C ATOM 1287 C SER A 92 10.325 6.324 8.082 1.00 0.00 C ATOM 1288 O SER A 92 9.690 6.928 8.945 1.00 0.00 O ATOM 1289 CB SER A 92 10.995 3.946 8.532 1.00 0.00 C ATOM 1290 OG SER A 92 12.212 3.757 7.813 1.00 0.00 O ATOM 0 H SER A 92 10.809 3.962 6.054 1.00 0.00 H new ATOM 0 HA SER A 92 9.012 4.621 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.214 4.378 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.525 2.979 8.710 1.00 0.00 H new ATOM 0 HG SER A 92 12.808 3.173 8.326 1.00 0.00 H new ATOM 1295 N ASP A 93 11.296 6.856 7.355 1.00 0.00 N ATOM 1296 CA ASP A 93 11.798 8.191 7.638 1.00 0.00 C ATOM 1297 C ASP A 93 10.945 9.219 6.895 1.00 0.00 C ATOM 1298 O ASP A 93 11.139 10.424 7.055 1.00 0.00 O ATOM 1299 CB ASP A 93 13.245 8.346 7.165 1.00 0.00 C ATOM 1300 CG ASP A 93 13.406 8.743 5.696 1.00 0.00 C ATOM 1301 OD1 ASP A 93 13.412 7.818 4.855 1.00 0.00 O ATOM 1302 OD2 ASP A 93 13.519 9.963 5.447 1.00 0.00 O ATOM 0 H ASP A 93 11.749 6.387 6.570 1.00 0.00 H new ATOM 0 HA ASP A 93 11.752 8.348 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.735 9.097 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 93 13.768 7.404 7.331 1.00 0.00 H new ATOM 1306 N TRP A 94 10.017 8.708 6.098 1.00 0.00 N ATOM 1307 CA TRP A 94 9.018 9.556 5.472 1.00 0.00 C ATOM 1308 C TRP A 94 9.688 10.303 4.317 1.00 0.00 C ATOM 1309 O TRP A 94 9.552 11.520 4.198 1.00 0.00 O ATOM 1310 CB TRP A 94 8.373 10.493 6.497 1.00 0.00 C ATOM 1311 CG TRP A 94 7.815 9.778 7.728 1.00 0.00 C ATOM 1312 CD1 TRP A 94 8.279 9.814 8.985 1.00 0.00 C ATOM 1313 CD2 TRP A 94 6.659 8.914 7.770 1.00 0.00 C ATOM 1314 NE1 TRP A 94 7.511 9.040 9.830 1.00 0.00 N ATOM 1315 CE2 TRP A 94 6.495 8.474 9.068 1.00 0.00 C ATOM 1316 CE3 TRP A 94 5.783 8.516 6.746 1.00 0.00 C ATOM 1317 CZ2 TRP A 94 5.463 7.615 9.462 1.00 0.00 C ATOM 1318 CZ3 TRP A 94 4.756 7.657 7.155 1.00 0.00 C ATOM 1319 CH2 TRP A 94 4.577 7.205 8.457 1.00 0.00 C ATOM 0 H TRP A 94 9.937 7.717 5.872 1.00 0.00 H new ATOM 0 HA TRP A 94 8.200 8.957 5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 94 9.112 11.226 6.819 1.00 0.00 H new ATOM 0 HB3 TRP A 94 7.567 11.044 6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 94 9.145 10.378 9.297 1.00 0.00 H new ATOM 0 HE1 TRP A 94 7.661 8.907 10.830 1.00 0.00 H new ATOM 0 HE3 TRP A 94 5.893 8.847 5.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 5.355 7.286 10.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 4.054 7.322 6.406 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.759 6.541 8.693 1.00 0.00 H new ATOM 1329 N LEU A 95 10.398 9.544 3.496 1.00 0.00 N ATOM 1330 CA LEU A 95 10.425 9.808 2.068 1.00 0.00 C ATOM 1331 C LEU A 95 9.155 9.243 1.426 1.00 0.00 C ATOM 1332 O LEU A 95 8.826 8.073 1.618 1.00 0.00 O ATOM 1333 CB LEU A 95 11.717 9.274 1.448 1.00 0.00 C ATOM 1334 CG LEU A 95 13.000 10.017 1.827 1.00 0.00 C ATOM 1335 CD1 LEU A 95 14.234 9.157 1.549 1.00 0.00 C ATOM 1336 CD2 LEU A 95 13.075 11.374 1.122 1.00 0.00 C ATOM 0 H LEU A 95 10.959 8.746 3.793 1.00 0.00 H new ATOM 0 HA LEU A 95 10.429 10.881 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.829 8.228 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.613 9.299 0.363 1.00 0.00 H new ATOM 0 HG LEU A 95 12.979 10.212 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 95 15.132 9.709 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.177 8.239 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 95 14.274 8.910 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.996 11.882 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 95 13.063 11.224 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.219 11.983 1.413 1.00 0.00 H new ATOM 1347 N ILE A 96 8.478 10.100 0.677 1.00 0.00 N ATOM 1348 CA ILE A 96 7.179 9.750 0.127 1.00 0.00 C ATOM 1349 C ILE A 96 7.195 9.970 -1.388 1.00 0.00 C ATOM 1350 O ILE A 96 7.595 11.033 -1.859 1.00 0.00 O ATOM 1351 CB ILE A 96 6.068 10.514 0.848 1.00 0.00 C ATOM 1352 CG1 ILE A 96 6.187 10.355 2.364 1.00 0.00 C ATOM 1353 CG2 ILE A 96 4.689 10.092 0.334 1.00 0.00 C ATOM 1354 CD1 ILE A 96 4.914 10.830 3.068 1.00 0.00 C ATOM 0 H ILE A 96 8.804 11.036 0.438 1.00 0.00 H new ATOM 0 HA ILE A 96 6.967 8.694 0.294 1.00 0.00 H new ATOM 0 HB ILE A 96 6.184 11.575 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.374 9.310 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.042 10.926 2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.917 10.650 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.619 10.300 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.547 9.025 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.026 10.706 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.743 11.882 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.065 10.241 2.721 1.00 0.00 H new ATOM 1365 N TYR A 97 6.757 8.948 -2.106 1.00 0.00 N ATOM 1366 CA TYR A 97 6.583 9.063 -3.544 1.00 0.00 C ATOM 1367 C TYR A 97 5.180 8.618 -3.964 1.00 0.00 C ATOM 1368 O TYR A 97 4.385 8.191 -3.130 1.00 0.00 O ATOM 1369 CB TYR A 97 7.613 8.123 -4.171 1.00 0.00 C ATOM 1370 CG TYR A 97 9.048 8.652 -4.124 1.00 0.00 C ATOM 1371 CD1 TYR A 97 9.763 8.606 -2.944 1.00 0.00 C ATOM 1372 CD2 TYR A 97 9.628 9.176 -5.262 1.00 0.00 C ATOM 1373 CE1 TYR A 97 11.114 9.103 -2.900 1.00 0.00 C ATOM 1374 CE2 TYR A 97 10.979 9.673 -5.218 1.00 0.00 C ATOM 1375 CZ TYR A 97 11.655 9.613 -4.038 1.00 0.00 C ATOM 1376 OH TYR A 97 12.930 10.083 -3.997 1.00 0.00 O ATOM 0 H TYR A 97 6.517 8.035 -1.719 1.00 0.00 H new ATOM 0 HA TYR A 97 6.712 10.097 -3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.574 7.163 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.338 7.940 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.309 8.197 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.069 9.213 -6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.684 9.071 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.445 10.084 -6.101 1.00 0.00 H new ATOM 0 HH TYR A 97 13.185 10.416 -4.883 1.00 0.00 H new ATOM 1385 N LYS A 98 4.921 8.732 -5.259 1.00 0.00 N ATOM 1386 CA LYS A 98 3.729 8.138 -5.839 1.00 0.00 C ATOM 1387 C LYS A 98 4.123 7.291 -7.050 1.00 0.00 C ATOM 1388 O LYS A 98 5.228 7.427 -7.574 1.00 0.00 O ATOM 1389 CB LYS A 98 2.693 9.219 -6.155 1.00 0.00 C ATOM 1390 CG LYS A 98 3.267 10.268 -7.109 1.00 0.00 C ATOM 1391 CD LYS A 98 2.163 11.171 -7.662 1.00 0.00 C ATOM 1392 CE LYS A 98 1.596 10.608 -8.966 1.00 0.00 C ATOM 1393 NZ LYS A 98 0.402 11.374 -9.386 1.00 0.00 N ATOM 0 H LYS A 98 5.517 9.227 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 98 3.250 7.468 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.810 8.762 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.371 9.700 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.008 10.873 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.782 9.773 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.365 11.268 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.559 12.171 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.355 10.649 -9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.333 9.559 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.030 10.978 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.327 11.313 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.663 12.370 -9.534 1.00 0.00 H new ATOM 1403 N THR A 99 3.198 6.435 -7.460 1.00 0.00 N ATOM 1404 CA THR A 99 3.295 5.794 -8.759 1.00 0.00 C ATOM 1405 C THR A 99 1.907 5.400 -9.266 1.00 0.00 C ATOM 1406 O THR A 99 1.071 4.931 -8.495 1.00 0.00 O ATOM 1407 CB THR A 99 4.253 4.607 -8.631 1.00 0.00 C ATOM 1408 OG1 THR A 99 4.008 3.835 -9.802 1.00 0.00 O ATOM 1409 CG2 THR A 99 3.876 3.673 -7.481 1.00 0.00 C ATOM 0 H THR A 99 2.378 6.171 -6.914 1.00 0.00 H new ATOM 0 HA THR A 99 3.698 6.478 -9.506 1.00 0.00 H new ATOM 0 HB THR A 99 5.268 4.974 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.622 4.115 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.587 2.848 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.898 4.225 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.873 3.279 -7.646 1.00 0.00 H new ATOM 1417 N THR A 100 1.702 5.607 -10.559 1.00 0.00 N ATOM 1418 CA THR A 100 0.412 5.329 -11.166 1.00 0.00 C ATOM 1419 C THR A 100 0.573 4.363 -12.342 1.00 0.00 C ATOM 1420 O THR A 100 -0.322 4.241 -13.177 1.00 0.00 O ATOM 1421 CB THR A 100 -0.224 6.664 -11.559 1.00 0.00 C ATOM 1422 OG1 THR A 100 0.818 7.356 -12.244 1.00 0.00 O ATOM 1423 CG2 THR A 100 -0.524 7.549 -10.347 1.00 0.00 C ATOM 0 H THR A 100 2.408 5.964 -11.203 1.00 0.00 H new ATOM 0 HA THR A 100 -0.255 4.829 -10.464 1.00 0.00 H new ATOM 0 HB THR A 100 -1.146 6.479 -12.110 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.492 8.233 -12.536 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.974 8.484 -10.681 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.214 7.032 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.403 7.763 -9.814 1.00 0.00 H new ATOM 1431 N ASP A 101 1.721 3.702 -12.370 1.00 0.00 N ATOM 1432 CA ASP A 101 2.132 2.966 -13.553 1.00 0.00 C ATOM 1433 C ASP A 101 2.560 1.554 -13.148 1.00 0.00 C ATOM 1434 O ASP A 101 3.210 0.853 -13.922 1.00 0.00 O ATOM 1435 CB ASP A 101 3.321 3.643 -14.237 1.00 0.00 C ATOM 1436 CG ASP A 101 4.318 4.312 -13.288 1.00 0.00 C ATOM 1437 OD1 ASP A 101 4.880 3.578 -12.447 1.00 0.00 O ATOM 1438 OD2 ASP A 101 4.495 5.541 -13.425 1.00 0.00 O ATOM 0 H ASP A 101 2.379 3.661 -11.592 1.00 0.00 H new ATOM 0 HA ASP A 101 1.288 2.937 -14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.851 2.899 -14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.943 4.394 -14.931 1.00 0.00 H new ATOM 1442 N HIS A 102 2.180 1.180 -11.935 1.00 0.00 N ATOM 1443 CA HIS A 102 2.555 -0.118 -11.400 1.00 0.00 C ATOM 1444 C HIS A 102 4.078 -0.203 -11.280 1.00 0.00 C ATOM 1445 O HIS A 102 4.718 -0.972 -11.994 1.00 0.00 O ATOM 1446 CB HIS A 102 1.963 -1.246 -12.249 1.00 0.00 C ATOM 1447 CG HIS A 102 2.072 -2.612 -11.615 1.00 0.00 C ATOM 1448 ND1 HIS A 102 1.269 -3.016 -10.562 1.00 0.00 N ATOM 1449 CD2 HIS A 102 2.895 -3.663 -11.896 1.00 0.00 C ATOM 1450 CE1 HIS A 102 1.603 -4.255 -10.231 1.00 0.00 C ATOM 1451 NE2 HIS A 102 2.611 -4.653 -11.060 1.00 0.00 N ATOM 0 H HIS A 102 1.616 1.753 -11.307 1.00 0.00 H new ATOM 0 HA HIS A 102 2.139 -0.238 -10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.912 -1.029 -12.442 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.468 -1.263 -13.215 1.00 0.00 H new ATOM 0 HD2 HIS A 102 3.650 -3.685 -12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.156 -4.845 -9.444 1.00 0.00 H new ATOM 0 HE2 HIS A 102 3.071 -5.563 -11.040 1.00 0.00 H new ATOM 1458 N TYR A 103 4.612 0.598 -10.370 1.00 0.00 N ATOM 1459 CA TYR A 103 5.974 0.398 -9.905 1.00 0.00 C ATOM 1460 C TYR A 103 6.962 0.422 -11.074 1.00 0.00 C ATOM 1461 O TYR A 103 7.900 -0.372 -11.114 1.00 0.00 O ATOM 1462 CB TYR A 103 6.000 -0.989 -9.260 1.00 0.00 C ATOM 1463 CG TYR A 103 5.029 -1.148 -8.088 1.00 0.00 C ATOM 1464 CD1 TYR A 103 5.169 -0.362 -6.963 1.00 0.00 C ATOM 1465 CD2 TYR A 103 4.013 -2.079 -8.157 1.00 0.00 C ATOM 1466 CE1 TYR A 103 4.255 -0.512 -5.861 1.00 0.00 C ATOM 1467 CE2 TYR A 103 3.098 -2.230 -7.055 1.00 0.00 C ATOM 1468 CZ TYR A 103 3.264 -1.439 -5.961 1.00 0.00 C ATOM 1469 OH TYR A 103 2.400 -1.581 -4.921 1.00 0.00 O ATOM 0 H TYR A 103 4.126 1.386 -9.942 1.00 0.00 H new ATOM 0 HA TYR A 103 6.262 1.188 -9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.764 -1.736 -10.018 1.00 0.00 H new ATOM 0 HB3 TYR A 103 7.011 -1.198 -8.911 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.965 0.366 -6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.904 -2.695 -9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.354 0.097 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.298 -2.955 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 103 2.871 -1.973 -4.156 1.00 0.00 H new ATOM 1478 N GLN A 104 6.717 1.343 -11.994 1.00 0.00 N ATOM 1479 CA GLN A 104 7.693 1.648 -13.026 1.00 0.00 C ATOM 1480 C GLN A 104 8.468 2.918 -12.666 1.00 0.00 C ATOM 1481 O GLN A 104 9.690 2.886 -12.531 1.00 0.00 O ATOM 1482 CB GLN A 104 7.021 1.785 -14.394 1.00 0.00 C ATOM 1483 CG GLN A 104 6.325 0.484 -14.795 1.00 0.00 C ATOM 1484 CD GLN A 104 5.910 0.516 -16.268 1.00 0.00 C ATOM 1485 OE1 GLN A 104 6.727 0.448 -17.171 1.00 0.00 O ATOM 1486 NE2 GLN A 104 4.598 0.622 -16.458 1.00 0.00 N ATOM 0 H GLN A 104 5.856 1.888 -12.046 1.00 0.00 H new ATOM 0 HA GLN A 104 8.399 0.820 -13.086 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.294 2.597 -14.367 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.766 2.049 -15.144 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.993 -0.359 -14.620 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.446 0.330 -14.169 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.969 0.675 -15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.221 0.651 -17.405 1.00 0.00 H new ATOM 1493 N THR A 105 7.724 4.004 -12.520 1.00 0.00 N ATOM 1494 CA THR A 105 8.334 5.302 -12.286 1.00 0.00 C ATOM 1495 C THR A 105 7.604 6.041 -11.163 1.00 0.00 C ATOM 1496 O THR A 105 6.391 5.900 -11.008 1.00 0.00 O ATOM 1497 CB THR A 105 8.340 6.067 -13.611 1.00 0.00 C ATOM 1498 OG1 THR A 105 7.007 5.932 -14.096 1.00 0.00 O ATOM 1499 CG2 THR A 105 9.197 5.382 -14.679 1.00 0.00 C ATOM 0 H THR A 105 6.705 4.012 -12.559 1.00 0.00 H new ATOM 0 HA THR A 105 9.365 5.198 -11.948 1.00 0.00 H new ATOM 0 HB THR A 105 8.709 7.079 -13.444 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.384 5.909 -13.340 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.167 5.966 -15.599 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.227 5.310 -14.328 1.00 0.00 H new ATOM 0 HG23 THR A 105 8.808 4.382 -14.871 1.00 0.00 H new ATOM 1507 N PHE A 106 8.372 6.810 -10.406 1.00 0.00 N ATOM 1508 CA PHE A 106 7.848 7.447 -9.210 1.00 0.00 C ATOM 1509 C PHE A 106 8.145 8.948 -9.212 1.00 0.00 C ATOM 1510 O PHE A 106 9.097 9.394 -9.851 1.00 0.00 O ATOM 1511 CB PHE A 106 8.550 6.801 -8.015 1.00 0.00 C ATOM 1512 CG PHE A 106 8.349 5.287 -7.917 1.00 0.00 C ATOM 1513 CD1 PHE A 106 8.973 4.461 -8.800 1.00 0.00 C ATOM 1514 CD2 PHE A 106 7.547 4.768 -6.949 1.00 0.00 C ATOM 1515 CE1 PHE A 106 8.787 3.056 -8.712 1.00 0.00 C ATOM 1516 CE2 PHE A 106 7.362 3.363 -6.860 1.00 0.00 C ATOM 1517 CZ PHE A 106 7.985 2.537 -7.743 1.00 0.00 C ATOM 0 H PHE A 106 9.354 7.007 -10.598 1.00 0.00 H new ATOM 0 HA PHE A 106 6.767 7.319 -9.164 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.618 7.012 -8.077 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.186 7.265 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.610 4.874 -9.568 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.051 5.424 -6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.281 2.400 -9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.726 2.950 -6.091 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.843 1.469 -7.675 1.00 0.00 H new ATOM 1526 N THR A 107 7.315 9.685 -8.489 1.00 0.00 N ATOM 1527 CA THR A 107 7.515 11.117 -8.348 1.00 0.00 C ATOM 1528 C THR A 107 7.461 11.521 -6.874 1.00 0.00 C ATOM 1529 O THR A 107 6.590 11.065 -6.133 1.00 0.00 O ATOM 1530 CB THR A 107 6.470 11.826 -9.212 1.00 0.00 C ATOM 1531 OG1 THR A 107 6.776 11.410 -10.540 1.00 0.00 O ATOM 1532 CG2 THR A 107 6.668 13.344 -9.242 1.00 0.00 C ATOM 0 H THR A 107 6.502 9.317 -7.994 1.00 0.00 H new ATOM 0 HA THR A 107 8.504 11.415 -8.697 1.00 0.00 H new ATOM 0 HB THR A 107 5.473 11.597 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.145 11.823 -11.166 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.901 13.799 -9.869 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.592 13.741 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.653 13.575 -9.649 1.00 0.00 H new ATOM 1540 N LYS A 108 8.401 12.372 -6.491 1.00 0.00 N ATOM 1541 CA LYS A 108 8.577 12.713 -5.090 1.00 0.00 C ATOM 1542 C LYS A 108 7.636 13.863 -4.727 1.00 0.00 C ATOM 1543 O LYS A 108 7.717 14.943 -5.309 1.00 0.00 O ATOM 1544 CB LYS A 108 10.050 13.006 -4.791 1.00 0.00 C ATOM 1545 CG LYS A 108 10.331 12.921 -3.289 1.00 0.00 C ATOM 1546 CD LYS A 108 11.823 13.093 -3.000 1.00 0.00 C ATOM 1547 CE LYS A 108 12.213 14.572 -2.986 1.00 0.00 C ATOM 1548 NZ LYS A 108 11.874 15.184 -1.682 1.00 0.00 N ATOM 0 H LYS A 108 9.049 12.836 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 108 8.308 11.868 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.682 12.295 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.309 13.999 -5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.764 13.691 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.991 11.959 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.065 12.641 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.406 12.567 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.281 14.674 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.695 15.099 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.034 16.211 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.875 14.999 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.475 14.773 -0.939 1.00 0.00 H new ATOM 1558 N ILE A 109 6.764 13.590 -3.767 1.00 0.00 N ATOM 1559 CA ILE A 109 5.696 14.520 -3.441 1.00 0.00 C ATOM 1560 C ILE A 109 6.010 15.204 -2.108 1.00 0.00 C ATOM 1561 O ILE A 109 5.320 16.140 -1.710 1.00 0.00 O ATOM 1562 CB ILE A 109 4.342 13.809 -3.461 1.00 0.00 C ATOM 1563 CG1 ILE A 109 4.316 12.649 -2.465 1.00 0.00 C ATOM 1564 CG2 ILE A 109 3.982 13.356 -4.879 1.00 0.00 C ATOM 1565 CD1 ILE A 109 2.886 12.160 -2.229 1.00 0.00 C ATOM 0 H ILE A 109 6.775 12.739 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 109 5.631 15.304 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 109 3.578 14.520 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.927 11.829 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.756 12.967 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.015 12.853 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.931 14.224 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.744 12.668 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.896 11.335 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.284 12.976 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.457 11.820 -3.172 1.00 0.00 H new ATOM 1576 N ARG A 110 7.053 14.709 -1.458 1.00 0.00 N ATOM 1577 CA ARG A 110 7.763 15.503 -0.469 1.00 0.00 C ATOM 1578 C ARG A 110 8.665 16.528 -1.160 1.00 0.00 C ATOM 1579 O ARG A 110 8.725 17.658 -0.735 1.00 0.00 O ATOM 1580 CB ARG A 110 8.615 14.616 0.441 1.00 0.00 C ATOM 1581 CG ARG A 110 7.736 13.809 1.398 1.00 0.00 C ATOM 1582 CD ARG A 110 8.035 14.170 2.854 1.00 0.00 C ATOM 1583 NE ARG A 110 7.649 15.573 3.118 1.00 0.00 N ATOM 1584 CZ ARG A 110 7.934 16.232 4.250 1.00 0.00 C ATOM 1585 NH1 ARG A 110 8.540 15.593 5.261 1.00 0.00 N ATOM 1586 NH2 ARG A 110 7.611 17.526 4.372 1.00 0.00 N ATOM 0 H ARG A 110 7.423 13.769 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 110 7.019 16.019 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.216 13.938 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.308 15.234 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.685 14.000 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.905 12.744 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.490 13.503 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.096 14.031 3.061 1.00 0.00 H new ATOM 0 HE ARG A 110 7.133 16.071 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.783 14.607 5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.758 16.093 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.148 18.011 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.828 18.027 5.234 1.00 0.00 H new TER 1597 ARG A 110