USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 923 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 13 HIS : no HE2:sc= -4.17 K(o=-8.4,f=-5.1!) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.43 X(o=-8.4,f=-8.3!) USER MOD Set 1.3: A 117 GLN : amide:sc= -2.8! K(o=-8.4!,f=-5.1) USER MOD Set 2.1: A 25 TYR OH : rot 23:sc= 0.328 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.01 K(o=-0.97,f=-7.6!) USER MOD Set 2.3: A 79 THR OG1 : rot 85:sc= 0.719 USER MOD Set 3.1: A 44 THR OG1 : rot 161:sc= 0.912 USER MOD Set 3.2: A 80 THR OG1 : rot -73:sc= 0.0159 USER MOD Set 4.1: A 4 SER OG : rot -73:sc= 0.173 USER MOD Set 4.2: A 8 HIS : no HD1:sc= -0.336 X(o=-0.16,f=-0.024) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0.0045) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.859 USER MOD Single : A 12 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.011) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0715) USER MOD Single : A 19 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.089) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -154:sc= -0.43 (180deg=-1.92) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0658 K(o=-0.066,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0645) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.131 K(o=-0.13,f=-3!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 65 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.025) USER MOD Single : A 68 ASN : amide:sc= 0.00299 X(o=0.003,f=-0.017) USER MOD Single : A 72 SER OG : rot 170:sc= 0.14 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 111:sc= 0.742 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= -0.0149 (180deg=-0.191) USER MOD Single : A 84 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 87 SER OG : rot -98:sc= 0.342 USER MOD Single : A 93 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.59) USER MOD Single : A 94 TYR OH : rot 10:sc= 0.0855 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.4) USER MOD Single : A 109 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.017) USER MOD Single : A 114 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.044) USER MOD Single : A 118 SER OG : rot -106:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.598 -5.244 2.656 1.00 0.00 N ATOM 33 CA ASN A 3 5.218 -5.284 3.945 1.00 0.00 C ATOM 34 C ASN A 3 5.557 -3.866 4.237 1.00 0.00 C ATOM 35 O ASN A 3 6.118 -3.555 5.284 1.00 0.00 O ATOM 36 CB ASN A 3 6.518 -6.108 3.995 1.00 0.00 C ATOM 37 CG ASN A 3 6.199 -7.599 3.892 1.00 0.00 C ATOM 38 OD1 ASN A 3 5.683 -8.097 2.885 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.550 -8.330 4.991 1.00 0.00 N ATOM 0 HA ASN A 3 4.541 -5.757 4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.177 -5.812 3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.051 -5.905 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.389 -9.337 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.973 -7.869 5.796 1.00 0.00 H new ATOM 46 N SER A 4 5.216 -2.977 3.280 1.00 0.00 N ATOM 47 CA SER A 4 5.293 -1.554 3.450 1.00 0.00 C ATOM 48 C SER A 4 3.950 -1.095 3.921 1.00 0.00 C ATOM 49 O SER A 4 3.831 -0.056 4.569 1.00 0.00 O ATOM 50 CB SER A 4 5.639 -0.827 2.140 1.00 0.00 C ATOM 51 OG SER A 4 5.840 0.558 2.376 1.00 0.00 O ATOM 0 H SER A 4 4.876 -3.257 2.360 1.00 0.00 H new ATOM 0 HA SER A 4 6.084 -1.323 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.538 -1.261 1.703 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.835 -0.965 1.417 1.00 0.00 H new ATOM 0 HG SER A 4 4.976 0.990 2.543 1.00 0.00 H new ATOM 57 N ARG A 5 2.907 -1.891 3.587 1.00 0.00 N ATOM 58 CA ARG A 5 1.528 -1.625 3.900 1.00 0.00 C ATOM 59 C ARG A 5 1.322 -1.745 5.377 1.00 0.00 C ATOM 60 O ARG A 5 0.572 -0.966 5.968 1.00 0.00 O ATOM 61 CB ARG A 5 0.591 -2.638 3.211 1.00 0.00 C ATOM 62 CG ARG A 5 -0.882 -2.210 3.115 1.00 0.00 C ATOM 63 CD ARG A 5 -1.138 -1.065 2.130 1.00 0.00 C ATOM 64 NE ARG A 5 -0.752 -1.543 0.771 1.00 0.00 N ATOM 65 CZ ARG A 5 -0.808 -0.709 -0.309 1.00 0.00 C ATOM 66 NH1 ARG A 5 -1.232 0.579 -0.164 1.00 0.00 N ATOM 67 NH2 ARG A 5 -0.440 -1.171 -1.540 1.00 0.00 N ATOM 0 H ARG A 5 3.033 -2.763 3.073 1.00 0.00 H new ATOM 0 HA ARG A 5 1.296 -0.620 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.964 -2.826 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.643 -3.583 3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.481 -3.071 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.227 -1.908 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.188 -0.772 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.556 -0.186 2.406 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.442 -2.507 0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.509 0.924 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.272 1.197 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.125 -2.135 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.480 -0.552 -2.350 1.00 0.00 H new ATOM 81 N TYR A 6 2.011 -2.734 5.988 1.00 0.00 N ATOM 82 CA TYR A 6 2.212 -2.914 7.364 1.00 0.00 C ATOM 83 C TYR A 6 2.705 -1.710 8.067 1.00 0.00 C ATOM 84 O TYR A 6 2.047 -1.252 8.987 1.00 0.00 O ATOM 85 CB TYR A 6 3.326 -3.933 7.444 1.00 0.00 C ATOM 86 CG TYR A 6 3.562 -4.305 8.830 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.526 -4.852 9.527 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.816 -4.236 9.375 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.759 -5.481 10.717 1.00 0.00 C ATOM 90 CE2 TYR A 6 5.060 -4.860 10.573 1.00 0.00 C ATOM 91 CZ TYR A 6 4.039 -5.513 11.240 1.00 0.00 C ATOM 92 OH TYR A 6 4.306 -6.204 12.439 1.00 0.00 O ATOM 0 H TYR A 6 2.463 -3.469 5.444 1.00 0.00 H new ATOM 0 HA TYR A 6 1.264 -3.189 7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.064 -4.816 6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.237 -3.523 7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.520 -4.788 9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.603 -3.697 8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.945 -5.952 11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.053 -4.841 10.997 1.00 0.00 H new ATOM 0 HH TYR A 6 5.258 -6.123 12.658 1.00 0.00 H new ATOM 102 N THR A 7 3.893 -1.202 7.674 1.00 0.00 N ATOM 103 CA THR A 7 4.493 -0.044 8.271 1.00 0.00 C ATOM 104 C THR A 7 3.771 1.252 8.039 1.00 0.00 C ATOM 105 O THR A 7 4.029 2.204 8.765 1.00 0.00 O ATOM 106 CB THR A 7 5.945 0.168 7.940 1.00 0.00 C ATOM 107 OG1 THR A 7 6.085 1.052 6.837 1.00 0.00 O ATOM 108 CG2 THR A 7 6.645 -1.158 7.620 1.00 0.00 C ATOM 0 H THR A 7 4.450 -1.608 6.922 1.00 0.00 H new ATOM 0 HA THR A 7 4.405 -0.306 9.325 1.00 0.00 H new ATOM 0 HB THR A 7 6.416 0.608 8.819 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.036 1.179 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.693 -0.969 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.580 -1.821 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.160 -1.628 6.764 1.00 0.00 H new ATOM 116 N HIS A 8 2.848 1.334 7.053 1.00 0.00 N ATOM 117 CA HIS A 8 1.984 2.479 6.927 1.00 0.00 C ATOM 118 C HIS A 8 0.991 2.469 8.050 1.00 0.00 C ATOM 119 O HIS A 8 0.857 3.457 8.775 1.00 0.00 O ATOM 120 CB HIS A 8 1.210 2.525 5.599 1.00 0.00 C ATOM 121 CG HIS A 8 2.119 2.666 4.417 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.645 2.691 3.134 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.463 2.817 4.351 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.673 2.856 2.313 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.789 2.937 3.027 1.00 0.00 N ATOM 0 H HIS A 8 2.700 0.613 6.347 1.00 0.00 H new ATOM 0 HA HIS A 8 2.628 3.358 6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.619 1.615 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.510 3.360 5.618 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.148 2.839 5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.612 2.915 1.236 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.729 3.067 2.653 1.00 0.00 H new ATOM 134 N PHE A 9 0.318 1.306 8.213 1.00 0.00 N ATOM 135 CA PHE A 9 -0.615 0.982 9.270 1.00 0.00 C ATOM 136 C PHE A 9 0.022 1.104 10.625 1.00 0.00 C ATOM 137 O PHE A 9 -0.649 1.479 11.575 1.00 0.00 O ATOM 138 CB PHE A 9 -1.201 -0.446 9.080 1.00 0.00 C ATOM 139 CG PHE A 9 -1.662 -1.146 10.333 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.879 -0.858 10.940 1.00 0.00 C ATOM 141 CD2 PHE A 9 -0.912 -2.205 10.823 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.316 -1.595 12.029 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.347 -2.937 11.906 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.547 -2.629 12.517 1.00 0.00 C ATOM 0 H PHE A 9 0.433 0.533 7.558 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.430 1.704 9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.045 -0.382 8.393 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.444 -1.066 8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.489 -0.052 10.559 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.025 -2.459 10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.261 -1.359 12.496 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.748 -3.755 12.279 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.881 -3.196 13.373 1.00 0.00 H new ATOM 154 N LEU A 10 1.323 0.784 10.759 1.00 0.00 N ATOM 155 CA LEU A 10 1.967 0.704 12.031 1.00 0.00 C ATOM 156 C LEU A 10 2.729 1.980 12.319 1.00 0.00 C ATOM 157 O LEU A 10 3.172 2.182 13.440 1.00 0.00 O ATOM 158 CB LEU A 10 2.583 -0.701 12.282 1.00 0.00 C ATOM 159 CG LEU A 10 4.027 -1.116 11.951 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.150 -0.159 12.338 1.00 0.00 C ATOM 161 CD2 LEU A 10 4.308 -2.397 12.742 1.00 0.00 C ATOM 0 H LEU A 10 1.936 0.578 9.970 1.00 0.00 H new ATOM 0 HA LEU A 10 1.270 0.712 12.869 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.455 -0.895 13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.943 -1.405 11.751 1.00 0.00 H new ATOM 0 HG LEU A 10 4.048 -1.183 10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.109 -0.585 12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.005 0.795 11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.139 -0.003 13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.325 -2.733 12.540 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.196 -2.198 13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.603 -3.172 12.441 1.00 0.00 H new ATOM 173 N THR A 11 2.874 2.909 11.347 1.00 0.00 N ATOM 174 CA THR A 11 3.367 4.231 11.667 1.00 0.00 C ATOM 175 C THR A 11 2.243 4.976 12.302 1.00 0.00 C ATOM 176 O THR A 11 2.421 5.642 13.322 1.00 0.00 O ATOM 177 CB THR A 11 3.923 5.001 10.484 1.00 0.00 C ATOM 178 OG1 THR A 11 5.161 4.419 10.109 1.00 0.00 O ATOM 179 CG2 THR A 11 4.186 6.485 10.813 1.00 0.00 C ATOM 0 H THR A 11 2.657 2.756 10.362 1.00 0.00 H new ATOM 0 HA THR A 11 4.218 4.122 12.339 1.00 0.00 H new ATOM 0 HB THR A 11 3.182 4.953 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.996 3.594 9.607 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.583 6.988 9.931 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.253 6.962 11.114 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.908 6.555 11.627 1.00 0.00 H new ATOM 187 N GLN A 12 1.057 4.853 11.685 1.00 0.00 N ATOM 188 CA GLN A 12 -0.166 5.456 12.076 1.00 0.00 C ATOM 189 C GLN A 12 -0.635 4.958 13.394 1.00 0.00 C ATOM 190 O GLN A 12 -1.045 5.756 14.232 1.00 0.00 O ATOM 191 CB GLN A 12 -1.139 5.059 10.952 1.00 0.00 C ATOM 192 CG GLN A 12 -2.022 6.158 10.385 1.00 0.00 C ATOM 193 CD GLN A 12 -3.271 6.397 11.220 1.00 0.00 C ATOM 194 OE1 GLN A 12 -4.333 5.816 10.966 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.134 7.307 12.223 1.00 0.00 N ATOM 0 H GLN A 12 0.952 4.284 10.845 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.075 6.535 12.202 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.557 4.636 10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.785 4.265 11.327 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.449 7.083 10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.314 5.895 9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.232 7.755 12.386 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.933 7.541 12.812 1.00 0.00 H new ATOM 204 N HIS A 13 -0.593 3.636 13.602 1.00 0.00 N ATOM 205 CA HIS A 13 -1.160 3.057 14.762 1.00 0.00 C ATOM 206 C HIS A 13 -0.113 2.618 15.730 1.00 0.00 C ATOM 207 O HIS A 13 -0.238 2.928 16.907 1.00 0.00 O ATOM 208 CB HIS A 13 -2.048 1.889 14.368 1.00 0.00 C ATOM 209 CG HIS A 13 -3.176 2.375 13.511 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.318 2.853 14.077 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.338 2.452 12.169 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.173 3.152 13.113 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.601 2.922 11.942 1.00 0.00 N ATOM 0 H HIS A 13 -0.163 2.969 12.961 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.761 3.816 15.262 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.465 1.143 13.828 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.441 1.402 15.260 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.486 2.962 15.077 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.606 2.191 11.419 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.176 3.524 13.258 1.00 0.00 H new ATOM 222 N TYR A 14 0.928 1.875 15.309 1.00 0.00 N ATOM 223 CA TYR A 14 1.778 1.235 16.277 1.00 0.00 C ATOM 224 C TYR A 14 2.703 2.242 16.895 1.00 0.00 C ATOM 225 O TYR A 14 3.476 2.902 16.204 1.00 0.00 O ATOM 226 CB TYR A 14 2.625 0.119 15.666 1.00 0.00 C ATOM 227 CG TYR A 14 3.339 -0.647 16.683 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.655 -1.485 17.528 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.708 -0.573 16.717 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.341 -2.172 18.508 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.398 -1.237 17.700 1.00 0.00 C ATOM 232 CZ TYR A 14 4.712 -2.003 18.618 1.00 0.00 C ATOM 233 OH TYR A 14 5.450 -2.624 19.640 1.00 0.00 O ATOM 0 H TYR A 14 1.179 1.718 14.333 1.00 0.00 H new ATOM 0 HA TYR A 14 1.120 0.797 17.027 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.983 -0.550 15.093 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.342 0.550 14.967 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.587 -1.606 17.426 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.240 0.004 15.975 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.816 -2.833 19.181 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.474 -1.160 17.754 1.00 0.00 H new ATOM 0 HH TYR A 14 6.397 -2.386 19.551 1.00 0.00 H new ATOM 243 N ASP A 15 2.632 2.367 18.233 1.00 0.00 N ATOM 244 CA ASP A 15 3.517 3.219 18.959 1.00 0.00 C ATOM 245 C ASP A 15 3.817 2.402 20.162 1.00 0.00 C ATOM 246 O ASP A 15 3.022 2.376 21.096 1.00 0.00 O ATOM 247 CB ASP A 15 2.912 4.573 19.381 1.00 0.00 C ATOM 248 CG ASP A 15 3.978 5.302 20.191 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.061 5.595 19.616 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.722 5.586 21.392 1.00 0.00 O ATOM 0 H ASP A 15 1.955 1.873 18.814 1.00 0.00 H new ATOM 0 HA ASP A 15 4.375 3.504 18.350 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.625 5.157 18.506 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.010 4.425 19.975 1.00 0.00 H new ATOM 255 N ALA A 16 4.971 1.699 20.111 1.00 0.00 N ATOM 256 CA ALA A 16 5.429 0.648 20.997 1.00 0.00 C ATOM 257 C ALA A 16 5.166 0.791 22.460 1.00 0.00 C ATOM 258 O ALA A 16 4.761 -0.173 23.105 1.00 0.00 O ATOM 259 CB ALA A 16 6.926 0.348 20.853 1.00 0.00 C ATOM 0 H ALA A 16 5.654 1.883 19.376 1.00 0.00 H new ATOM 0 HA ALA A 16 4.799 -0.166 20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.206 -0.448 21.543 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.137 0.033 19.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.501 1.245 21.082 1.00 0.00 H new ATOM 265 N LYS A 17 5.380 1.992 23.014 1.00 0.00 N ATOM 266 CA LYS A 17 4.871 2.279 24.321 1.00 0.00 C ATOM 267 C LYS A 17 4.740 3.776 24.399 1.00 0.00 C ATOM 268 O LYS A 17 5.537 4.473 23.770 1.00 0.00 O ATOM 269 CB LYS A 17 5.762 1.786 25.489 1.00 0.00 C ATOM 270 CG LYS A 17 7.234 2.224 25.426 1.00 0.00 C ATOM 271 CD LYS A 17 8.065 1.628 26.572 1.00 0.00 C ATOM 272 CE LYS A 17 9.553 1.986 26.492 1.00 0.00 C ATOM 273 NZ LYS A 17 9.745 3.448 26.611 1.00 0.00 N ATOM 0 H LYS A 17 5.894 2.754 22.572 1.00 0.00 H new ATOM 0 HA LYS A 17 3.928 1.746 24.441 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.334 2.143 26.426 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.726 0.697 25.517 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.662 1.918 24.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.290 3.312 25.466 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.665 1.980 27.523 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.958 0.543 26.563 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.098 1.477 27.287 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.966 1.635 25.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.761 3.661 26.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.343 3.920 25.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.266 3.793 27.467 1.00 0.00 H new ATOM 287 N PRO A 18 3.778 4.297 25.151 1.00 0.00 N ATOM 288 CA PRO A 18 3.553 5.710 25.210 1.00 0.00 C ATOM 289 C PRO A 18 4.597 6.422 26.013 1.00 0.00 C ATOM 290 O PRO A 18 5.370 5.792 26.736 1.00 0.00 O ATOM 291 CB PRO A 18 2.237 5.849 25.967 1.00 0.00 C ATOM 292 CG PRO A 18 1.458 4.568 25.705 1.00 0.00 C ATOM 293 CD PRO A 18 2.520 3.589 25.230 1.00 0.00 C ATOM 0 HA PRO A 18 3.562 6.135 24.206 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.414 5.985 27.034 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.680 6.720 25.623 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.960 4.211 26.606 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.685 4.717 24.951 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.599 2.748 25.919 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.252 3.179 24.256 1.00 0.00 H new ATOM 301 N GLN A 19 4.564 7.766 25.905 1.00 0.00 N ATOM 302 CA GLN A 19 5.324 8.671 26.716 1.00 0.00 C ATOM 303 C GLN A 19 4.700 8.637 28.075 1.00 0.00 C ATOM 304 O GLN A 19 5.289 8.142 29.036 1.00 0.00 O ATOM 305 CB GLN A 19 5.291 10.093 26.109 1.00 0.00 C ATOM 306 CG GLN A 19 6.046 11.182 26.884 1.00 0.00 C ATOM 307 CD GLN A 19 7.519 10.797 27.025 1.00 0.00 C ATOM 308 OE1 GLN A 19 8.001 10.527 28.132 1.00 0.00 O ATOM 309 NE2 GLN A 19 8.243 10.783 25.865 1.00 0.00 N ATOM 0 H GLN A 19 3.979 8.243 25.219 1.00 0.00 H new ATOM 0 HA GLN A 19 6.374 8.383 26.770 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.702 10.044 25.101 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.250 10.400 26.014 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.959 12.136 26.364 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.600 11.314 27.870 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.792 11.015 24.980 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.234 10.541 25.885 1.00 0.00 H new ATOM 318 N GLY A 20 3.460 9.144 28.150 1.00 0.00 N ATOM 319 CA GLY A 20 2.581 8.886 29.250 1.00 0.00 C ATOM 320 C GLY A 20 1.338 8.480 28.566 1.00 0.00 C ATOM 321 O GLY A 20 1.297 8.425 27.344 1.00 0.00 O ATOM 0 H GLY A 20 3.057 9.746 27.433 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.963 8.100 29.901 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.434 9.770 29.870 1.00 0.00 H new ATOM 325 N ARG A 21 0.289 8.196 29.345 1.00 0.00 N ATOM 326 CA ARG A 21 -0.978 7.802 28.787 1.00 0.00 C ATOM 327 C ARG A 21 -1.919 8.909 29.112 1.00 0.00 C ATOM 328 O ARG A 21 -2.773 8.782 29.989 1.00 0.00 O ATOM 329 CB ARG A 21 -1.490 6.458 29.341 1.00 0.00 C ATOM 330 CG ARG A 21 -0.682 5.269 28.793 1.00 0.00 C ATOM 331 CD ARG A 21 -0.925 3.949 29.530 1.00 0.00 C ATOM 332 NE ARG A 21 -2.356 3.568 29.372 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.868 2.507 30.061 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.062 1.746 30.857 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.196 2.207 29.961 1.00 0.00 N ATOM 0 H ARG A 21 0.308 8.236 30.364 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.885 7.640 27.713 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.430 6.467 30.429 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.541 6.334 29.080 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.926 5.134 27.739 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.379 5.511 28.846 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.280 3.168 29.128 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.677 4.055 30.586 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.957 4.103 28.745 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.070 1.969 30.940 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.452 0.955 31.369 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.804 2.776 29.372 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.580 1.414 30.475 1.00 0.00 H new ATOM 349 N ASP A 22 -1.746 10.046 28.404 1.00 0.00 N ATOM 350 CA ASP A 22 -2.458 11.246 28.719 1.00 0.00 C ATOM 351 C ASP A 22 -2.624 12.036 27.461 1.00 0.00 C ATOM 352 O ASP A 22 -2.119 11.664 26.400 1.00 0.00 O ATOM 353 CB ASP A 22 -1.777 12.115 29.802 1.00 0.00 C ATOM 354 CG ASP A 22 -0.435 12.679 29.335 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.497 11.886 29.045 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.324 13.933 29.291 1.00 0.00 O ATOM 0 H ASP A 22 -1.110 10.131 27.611 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.420 10.953 29.140 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.439 12.937 30.074 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.624 11.518 30.701 1.00 0.00 H new ATOM 361 N ASP A 23 -3.359 13.163 27.574 1.00 0.00 N ATOM 362 CA ASP A 23 -3.793 13.971 26.468 1.00 0.00 C ATOM 363 C ASP A 23 -2.672 14.709 25.801 1.00 0.00 C ATOM 364 O ASP A 23 -2.779 15.041 24.624 1.00 0.00 O ATOM 365 CB ASP A 23 -4.888 14.993 26.853 1.00 0.00 C ATOM 366 CG ASP A 23 -4.371 16.036 27.843 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.078 15.668 29.012 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.282 17.227 27.440 1.00 0.00 O ATOM 0 H ASP A 23 -3.664 13.527 28.476 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.211 13.249 25.767 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.250 15.493 25.955 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.738 14.468 27.290 1.00 0.00 H new ATOM 373 N ARG A 24 -1.569 14.971 26.537 1.00 0.00 N ATOM 374 CA ARG A 24 -0.440 15.682 26.013 1.00 0.00 C ATOM 375 C ARG A 24 0.487 14.709 25.339 1.00 0.00 C ATOM 376 O ARG A 24 1.308 15.120 24.520 1.00 0.00 O ATOM 377 CB ARG A 24 0.317 16.467 27.109 1.00 0.00 C ATOM 378 CG ARG A 24 1.316 17.527 26.613 1.00 0.00 C ATOM 379 CD ARG A 24 0.685 18.631 25.758 1.00 0.00 C ATOM 380 NE ARG A 24 1.753 19.620 25.445 1.00 0.00 N ATOM 381 CZ ARG A 24 1.487 20.711 24.669 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.236 20.906 24.159 1.00 0.00 N ATOM 383 NH2 ARG A 24 2.482 21.602 24.387 1.00 0.00 N ATOM 0 H ARG A 24 -1.462 14.684 27.510 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.807 16.413 25.293 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.417 16.959 27.748 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.855 15.753 27.733 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.803 17.983 27.475 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.095 17.033 26.032 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.267 18.215 24.841 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.135 19.109 26.293 1.00 0.00 H new ATOM 0 HE ARG A 24 2.694 19.481 25.814 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.506 20.235 24.357 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.043 21.723 23.580 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.421 21.451 24.756 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.286 22.418 23.807 1.00 0.00 H new ATOM 397 N TYR A 25 0.354 13.391 25.645 1.00 0.00 N ATOM 398 CA TYR A 25 1.076 12.377 24.923 1.00 0.00 C ATOM 399 C TYR A 25 0.424 12.258 23.599 1.00 0.00 C ATOM 400 O TYR A 25 1.133 12.123 22.605 1.00 0.00 O ATOM 401 CB TYR A 25 1.104 10.982 25.595 1.00 0.00 C ATOM 402 CG TYR A 25 1.092 9.827 24.617 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.195 9.468 23.848 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.059 9.055 24.513 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.122 8.407 22.968 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.128 7.995 23.633 1.00 0.00 C ATOM 407 CZ TYR A 25 0.960 7.673 22.854 1.00 0.00 C ATOM 408 OH TYR A 25 0.880 6.592 21.952 1.00 0.00 O ATOM 0 H TYR A 25 -0.249 13.035 26.386 1.00 0.00 H new ATOM 0 HA TYR A 25 2.119 12.689 24.876 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.995 10.908 26.218 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.244 10.892 26.258 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.116 10.024 23.941 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.913 9.289 25.131 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.980 8.150 22.365 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.037 7.417 23.555 1.00 0.00 H new ATOM 0 HH TYR A 25 1.781 6.258 21.761 1.00 0.00 H new ATOM 418 N CYS A 26 -0.929 12.290 23.554 1.00 0.00 N ATOM 419 CA CYS A 26 -1.568 12.045 22.300 1.00 0.00 C ATOM 420 C CYS A 26 -1.519 13.215 21.362 1.00 0.00 C ATOM 421 O CYS A 26 -1.519 13.034 20.146 1.00 0.00 O ATOM 422 CB CYS A 26 -2.953 11.425 22.346 1.00 0.00 C ATOM 423 SG CYS A 26 -3.002 10.282 20.943 1.00 0.00 S ATOM 0 H CYS A 26 -1.547 12.476 24.344 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.939 11.255 21.889 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.120 10.902 23.287 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.729 12.186 22.262 1.00 0.00 H new ATOM 428 N GLU A 27 -1.422 14.444 21.915 1.00 0.00 N ATOM 429 CA GLU A 27 -1.164 15.618 21.127 1.00 0.00 C ATOM 430 C GLU A 27 0.227 15.580 20.580 1.00 0.00 C ATOM 431 O GLU A 27 0.433 15.973 19.434 1.00 0.00 O ATOM 432 CB GLU A 27 -1.305 16.934 21.907 1.00 0.00 C ATOM 433 CG GLU A 27 -2.766 17.303 22.172 1.00 0.00 C ATOM 434 CD GLU A 27 -2.792 18.526 23.075 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.340 19.609 22.619 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.269 18.392 24.235 1.00 0.00 O ATOM 0 H GLU A 27 -1.523 14.625 22.914 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.917 15.602 20.339 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.777 16.848 22.857 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.826 17.738 21.347 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.281 17.512 21.234 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.288 16.471 22.644 1.00 0.00 H new ATOM 443 N SER A 28 1.207 15.107 21.388 1.00 0.00 N ATOM 444 CA SER A 28 2.589 15.036 20.992 1.00 0.00 C ATOM 445 C SER A 28 2.836 14.049 19.896 1.00 0.00 C ATOM 446 O SER A 28 3.648 14.316 19.014 1.00 0.00 O ATOM 447 CB SER A 28 3.543 14.704 22.152 1.00 0.00 C ATOM 448 OG SER A 28 4.893 14.744 21.714 1.00 0.00 O ATOM 0 H SER A 28 1.034 14.768 22.334 1.00 0.00 H new ATOM 0 HA SER A 28 2.802 16.042 20.631 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.397 15.415 22.965 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.312 13.715 22.548 1.00 0.00 H new ATOM 0 HG SER A 28 5.487 14.532 22.464 1.00 0.00 H new ATOM 454 N ILE A 29 2.142 12.893 19.921 1.00 0.00 N ATOM 455 CA ILE A 29 2.356 11.858 18.944 1.00 0.00 C ATOM 456 C ILE A 29 1.620 12.169 17.683 1.00 0.00 C ATOM 457 O ILE A 29 2.054 11.758 16.610 1.00 0.00 O ATOM 458 CB ILE A 29 2.105 10.435 19.418 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.537 9.392 18.379 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.640 10.205 19.810 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.628 8.005 18.975 1.00 0.00 C ATOM 0 H ILE A 29 1.431 12.672 20.618 1.00 0.00 H new ATOM 0 HA ILE A 29 3.429 11.869 18.750 1.00 0.00 H new ATOM 0 HB ILE A 29 2.722 10.306 20.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.826 9.386 17.553 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.505 9.673 17.964 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.510 9.175 20.142 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.369 10.884 20.619 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.001 10.393 18.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.937 7.298 18.205 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.359 8.004 19.783 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.654 7.713 19.366 1.00 0.00 H new ATOM 473 N MET A 30 0.510 12.930 17.760 1.00 0.00 N ATOM 474 CA MET A 30 -0.138 13.344 16.552 1.00 0.00 C ATOM 475 C MET A 30 0.601 14.452 15.870 1.00 0.00 C ATOM 476 O MET A 30 0.462 14.609 14.663 1.00 0.00 O ATOM 477 CB MET A 30 -1.577 13.819 16.737 1.00 0.00 C ATOM 478 CG MET A 30 -2.600 12.735 16.369 1.00 0.00 C ATOM 479 SD MET A 30 -3.397 11.929 17.784 1.00 0.00 S ATOM 480 CE MET A 30 -4.663 11.057 16.817 1.00 0.00 C ATOM 0 H MET A 30 0.074 13.249 18.625 1.00 0.00 H new ATOM 0 HA MET A 30 -0.143 12.437 15.947 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.727 14.120 17.774 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.748 14.701 16.120 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.371 13.181 15.741 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.102 11.974 15.769 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.534 10.869 17.444 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.956 11.670 15.964 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.260 10.109 16.461 1.00 0.00 H new ATOM 490 N ARG A 31 1.398 15.247 16.610 1.00 0.00 N ATOM 491 CA ARG A 31 2.265 16.227 16.009 1.00 0.00 C ATOM 492 C ARG A 31 3.480 15.592 15.385 1.00 0.00 C ATOM 493 O ARG A 31 3.964 16.089 14.368 1.00 0.00 O ATOM 494 CB ARG A 31 2.758 17.291 17.005 1.00 0.00 C ATOM 495 CG ARG A 31 1.675 18.329 17.334 1.00 0.00 C ATOM 496 CD ARG A 31 2.079 19.322 18.430 1.00 0.00 C ATOM 497 NE ARG A 31 2.234 18.557 19.701 1.00 0.00 N ATOM 498 CZ ARG A 31 2.315 19.187 20.909 1.00 0.00 C ATOM 499 NH1 ARG A 31 2.291 20.549 20.983 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.417 18.444 22.050 1.00 0.00 N ATOM 0 H ARG A 31 1.445 15.214 17.628 1.00 0.00 H new ATOM 0 HA ARG A 31 1.651 16.708 15.248 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.081 16.803 17.924 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.629 17.798 16.590 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.429 18.883 16.428 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.769 17.809 17.645 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.012 19.822 18.168 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.322 20.098 18.541 1.00 0.00 H new ATOM 0 HE ARG A 31 2.281 17.539 19.667 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.212 21.105 20.131 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.352 21.012 21.890 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.432 17.426 21.996 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.478 18.907 22.957 1.00 0.00 H new ATOM 514 N ARG A 32 4.012 14.497 15.984 1.00 0.00 N ATOM 515 CA ARG A 32 5.215 13.858 15.507 1.00 0.00 C ATOM 516 C ARG A 32 4.956 13.024 14.292 1.00 0.00 C ATOM 517 O ARG A 32 5.719 13.101 13.328 1.00 0.00 O ATOM 518 CB ARG A 32 5.881 12.928 16.542 1.00 0.00 C ATOM 519 CG ARG A 32 6.613 13.672 17.671 1.00 0.00 C ATOM 520 CD ARG A 32 7.881 14.398 17.214 1.00 0.00 C ATOM 521 NE ARG A 32 8.473 15.062 18.409 1.00 0.00 N ATOM 522 CZ ARG A 32 9.550 15.891 18.287 1.00 0.00 C ATOM 523 NH1 ARG A 32 10.117 16.111 17.064 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.064 16.504 19.393 1.00 0.00 N ATOM 0 H ARG A 32 3.604 14.051 16.806 1.00 0.00 H new ATOM 0 HA ARG A 32 5.883 14.691 15.287 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.119 12.284 16.980 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.590 12.279 16.029 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.932 14.397 18.117 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.876 12.959 18.452 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.589 13.694 16.777 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.646 15.133 16.444 1.00 0.00 H new ATOM 0 HE ARG A 32 8.068 14.895 19.330 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.735 15.655 16.235 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.922 16.732 16.979 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.643 16.342 20.308 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.869 17.124 19.305 1.00 0.00 H new ATOM 538 N ARG A 33 3.881 12.202 14.314 1.00 0.00 N ATOM 539 CA ARG A 33 3.490 11.392 13.187 1.00 0.00 C ATOM 540 C ARG A 33 2.887 12.265 12.127 1.00 0.00 C ATOM 541 O ARG A 33 3.068 12.014 10.936 1.00 0.00 O ATOM 542 CB ARG A 33 2.470 10.287 13.541 1.00 0.00 C ATOM 543 CG ARG A 33 3.097 8.923 13.873 1.00 0.00 C ATOM 544 CD ARG A 33 4.092 8.971 15.034 1.00 0.00 C ATOM 545 NE ARG A 33 4.210 7.603 15.622 1.00 0.00 N ATOM 546 CZ ARG A 33 5.155 6.706 15.213 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.030 7.014 14.214 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.219 5.480 15.813 1.00 0.00 N ATOM 0 H ARG A 33 3.273 12.097 15.126 1.00 0.00 H new ATOM 0 HA ARG A 33 4.398 10.900 12.838 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.877 10.617 14.394 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.783 10.163 12.704 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.303 8.217 14.116 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.604 8.540 12.987 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.065 9.317 14.684 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.755 9.680 15.791 1.00 0.00 H new ATOM 0 HE ARG A 33 3.559 7.328 16.358 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.985 7.926 13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.730 6.332 13.921 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.565 5.242 16.559 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.921 4.802 15.515 1.00 0.00 H new ATOM 562 N GLY A 34 2.174 13.323 12.557 1.00 0.00 N ATOM 563 CA GLY A 34 1.593 14.312 11.693 1.00 0.00 C ATOM 564 C GLY A 34 0.337 13.778 11.126 1.00 0.00 C ATOM 565 O GLY A 34 0.244 13.474 9.938 1.00 0.00 O ATOM 0 H GLY A 34 1.994 13.499 13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.395 15.228 12.249 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.288 14.568 10.893 1.00 0.00 H new ATOM 569 N LEU A 35 -0.679 13.706 12.004 1.00 0.00 N ATOM 570 CA LEU A 35 -2.029 13.478 11.611 1.00 0.00 C ATOM 571 C LEU A 35 -2.730 14.750 11.944 1.00 0.00 C ATOM 572 O LEU A 35 -3.949 14.773 12.100 1.00 0.00 O ATOM 573 CB LEU A 35 -2.754 12.421 12.451 1.00 0.00 C ATOM 574 CG LEU A 35 -2.001 11.093 12.689 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.860 10.168 13.566 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.595 10.382 11.385 1.00 0.00 C ATOM 0 H LEU A 35 -0.556 13.809 13.011 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.033 13.156 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.989 12.859 13.421 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.703 12.193 11.966 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.070 11.336 13.201 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.330 9.231 13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.055 10.652 14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.805 9.965 13.063 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.070 9.457 11.623 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.487 10.154 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.939 11.032 10.805 1.00 0.00 H new ATOM 588 N THR A 36 -1.947 15.846 12.086 1.00 0.00 N ATOM 589 CA THR A 36 -2.482 17.110 12.519 1.00 0.00 C ATOM 590 C THR A 36 -2.947 17.908 11.345 1.00 0.00 C ATOM 591 O THR A 36 -3.562 18.959 11.513 1.00 0.00 O ATOM 592 CB THR A 36 -1.490 17.960 13.264 1.00 0.00 C ATOM 593 OG1 THR A 36 -0.208 17.830 12.669 1.00 0.00 O ATOM 594 CG2 THR A 36 -1.447 17.505 14.730 1.00 0.00 C ATOM 0 H THR A 36 -0.944 15.856 11.901 1.00 0.00 H new ATOM 0 HA THR A 36 -3.302 16.858 13.192 1.00 0.00 H new ATOM 0 HB THR A 36 -1.788 19.007 13.220 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.436 18.386 13.155 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.730 18.115 15.279 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.436 17.617 15.175 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.145 16.459 14.778 1.00 0.00 H new ATOM 602 N SER A 37 -2.670 17.420 10.124 1.00 0.00 N ATOM 603 CA SER A 37 -2.995 18.118 8.924 1.00 0.00 C ATOM 604 C SER A 37 -3.810 17.211 8.050 1.00 0.00 C ATOM 605 O SER A 37 -3.216 16.373 7.375 1.00 0.00 O ATOM 606 CB SER A 37 -1.708 18.430 8.158 1.00 0.00 C ATOM 607 OG SER A 37 -1.033 19.524 8.759 1.00 0.00 O ATOM 0 H SER A 37 -2.211 16.522 9.969 1.00 0.00 H new ATOM 0 HA SER A 37 -3.535 19.032 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.060 17.554 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.942 18.664 7.119 1.00 0.00 H new ATOM 0 HG SER A 37 -0.210 19.714 8.262 1.00 0.00 H new ATOM 613 N PRO A 38 -5.132 17.312 7.960 1.00 0.00 N ATOM 614 CA PRO A 38 -6.045 17.905 8.910 1.00 0.00 C ATOM 615 C PRO A 38 -6.185 16.935 10.053 1.00 0.00 C ATOM 616 O PRO A 38 -5.750 15.789 9.919 1.00 0.00 O ATOM 617 CB PRO A 38 -7.361 17.995 8.134 1.00 0.00 C ATOM 618 CG PRO A 38 -7.309 16.828 7.143 1.00 0.00 C ATOM 619 CD PRO A 38 -5.816 16.695 6.840 1.00 0.00 C ATOM 0 HA PRO A 38 -5.733 18.872 9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.220 17.911 8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.451 18.950 7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.715 15.914 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.886 17.038 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.530 15.649 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.561 17.191 5.904 1.00 0.00 H new ATOM 627 N CYS A 39 -6.787 17.388 11.183 1.00 0.00 N ATOM 628 CA CYS A 39 -6.953 16.608 12.368 1.00 0.00 C ATOM 629 C CYS A 39 -7.764 15.381 12.094 1.00 0.00 C ATOM 630 O CYS A 39 -8.870 15.450 11.557 1.00 0.00 O ATOM 631 CB CYS A 39 -7.719 17.357 13.468 1.00 0.00 C ATOM 632 SG CYS A 39 -7.050 18.996 13.874 1.00 0.00 S ATOM 0 H CYS A 39 -7.168 18.331 11.265 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.939 16.374 12.693 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.757 17.470 13.157 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.722 16.746 14.371 1.00 0.00 H new ATOM 637 N LYS A 40 -7.184 14.227 12.482 1.00 0.00 N ATOM 638 CA LYS A 40 -7.806 12.941 12.400 1.00 0.00 C ATOM 639 C LYS A 40 -8.836 12.913 13.481 1.00 0.00 C ATOM 640 O LYS A 40 -8.594 13.416 14.576 1.00 0.00 O ATOM 641 CB LYS A 40 -6.770 11.819 12.634 1.00 0.00 C ATOM 642 CG LYS A 40 -7.273 10.376 12.474 1.00 0.00 C ATOM 643 CD LYS A 40 -7.777 10.032 11.066 1.00 0.00 C ATOM 644 CE LYS A 40 -8.160 8.555 10.931 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.620 8.267 9.556 1.00 0.00 N ATOM 0 H LYS A 40 -6.241 14.191 12.869 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.245 12.779 11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.942 11.970 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.368 11.930 13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.466 9.692 12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.079 10.204 13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.642 10.652 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.004 10.273 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.303 7.927 11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.947 8.310 11.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.876 7.262 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.450 8.854 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.857 8.482 8.883 1.00 0.00 H new ATOM 659 N ASP A 41 -10.017 12.337 13.168 1.00 0.00 N ATOM 660 CA ASP A 41 -11.143 12.333 14.056 1.00 0.00 C ATOM 661 C ASP A 41 -10.904 11.385 15.182 1.00 0.00 C ATOM 662 O ASP A 41 -11.058 11.767 16.339 1.00 0.00 O ATOM 663 CB ASP A 41 -12.458 11.937 13.355 1.00 0.00 C ATOM 664 CG ASP A 41 -13.609 12.008 14.352 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.861 13.117 14.894 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.258 10.951 14.577 1.00 0.00 O ATOM 0 H ASP A 41 -10.192 11.865 12.281 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.249 13.354 14.422 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.649 12.604 12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.376 10.929 12.949 1.00 0.00 H new ATOM 671 N ILE A 42 -10.537 10.124 14.880 1.00 0.00 N ATOM 672 CA ILE A 42 -10.254 9.202 15.937 1.00 0.00 C ATOM 673 C ILE A 42 -9.196 8.274 15.441 1.00 0.00 C ATOM 674 O ILE A 42 -9.249 7.797 14.308 1.00 0.00 O ATOM 675 CB ILE A 42 -11.483 8.477 16.469 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.165 7.781 17.809 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.113 7.539 15.416 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.424 7.321 18.532 1.00 0.00 C ATOM 0 H ILE A 42 -10.439 9.752 13.935 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.897 9.750 16.809 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.254 9.219 16.676 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.519 6.922 17.626 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.610 8.466 18.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.986 7.046 15.844 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.416 8.121 14.545 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.383 6.788 15.115 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.149 6.837 19.469 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.059 8.182 18.741 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.966 6.614 17.904 1.00 0.00 H new ATOM 690 N ASN A 43 -8.191 8.014 16.300 1.00 0.00 N ATOM 691 CA ASN A 43 -7.155 7.088 15.942 1.00 0.00 C ATOM 692 C ASN A 43 -6.609 6.481 17.188 1.00 0.00 C ATOM 693 O ASN A 43 -6.243 7.178 18.133 1.00 0.00 O ATOM 694 CB ASN A 43 -5.996 7.729 15.161 1.00 0.00 C ATOM 695 CG ASN A 43 -4.969 6.658 14.810 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.268 5.769 14.006 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.746 6.765 15.408 1.00 0.00 N ATOM 0 H ASN A 43 -8.094 8.434 17.224 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.607 6.345 15.286 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.372 8.200 14.253 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.530 8.513 15.758 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.015 6.085 15.199 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.564 7.525 16.064 1.00 0.00 H new ATOM 704 N THR A 44 -6.532 5.136 17.175 1.00 0.00 N ATOM 705 CA THR A 44 -6.028 4.365 18.267 1.00 0.00 C ATOM 706 C THR A 44 -4.598 4.031 18.012 1.00 0.00 C ATOM 707 O THR A 44 -4.287 3.359 17.030 1.00 0.00 O ATOM 708 CB THR A 44 -6.800 3.085 18.406 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.175 3.404 18.525 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.349 2.321 19.656 1.00 0.00 C ATOM 0 H THR A 44 -6.830 4.570 16.380 1.00 0.00 H new ATOM 0 HA THR A 44 -6.128 4.948 19.182 1.00 0.00 H new ATOM 0 HB THR A 44 -6.624 2.458 17.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.714 2.615 18.306 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.918 1.396 19.742 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.287 2.088 19.576 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.520 2.936 20.540 1.00 0.00 H new ATOM 718 N PHE A 45 -3.701 4.467 18.925 1.00 0.00 N ATOM 719 CA PHE A 45 -2.335 4.021 18.875 1.00 0.00 C ATOM 720 C PHE A 45 -2.229 2.781 19.725 1.00 0.00 C ATOM 721 O PHE A 45 -2.620 2.787 20.889 1.00 0.00 O ATOM 722 CB PHE A 45 -1.259 5.038 19.336 1.00 0.00 C ATOM 723 CG PHE A 45 -1.213 6.237 18.427 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.113 7.262 18.651 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.277 6.395 17.405 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.127 8.379 17.840 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.264 7.535 16.631 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.204 8.519 16.823 1.00 0.00 C ATOM 0 H PHE A 45 -3.915 5.115 19.683 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.116 3.852 17.821 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.473 5.360 20.355 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.282 4.554 19.353 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.813 7.188 19.470 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.446 5.615 17.218 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.866 9.150 18.002 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.491 7.656 15.868 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.220 9.391 16.186 1.00 0.00 H new ATOM 738 N ILE A 46 -1.693 1.683 19.138 1.00 0.00 N ATOM 739 CA ILE A 46 -1.531 0.399 19.777 1.00 0.00 C ATOM 740 C ILE A 46 -0.183 0.436 20.412 1.00 0.00 C ATOM 741 O ILE A 46 0.715 1.087 19.896 1.00 0.00 O ATOM 742 CB ILE A 46 -1.375 -0.743 18.776 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.246 -0.599 17.509 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.528 -2.120 19.453 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.752 -0.522 17.750 1.00 0.00 C ATOM 0 H ILE A 46 -1.357 1.690 18.175 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.393 0.239 20.425 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.351 -0.674 18.409 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.935 0.299 16.976 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.044 -1.445 16.852 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.411 -2.907 18.708 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.766 -2.233 20.224 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.516 -2.195 19.907 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.269 -0.422 16.795 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.087 -1.430 18.251 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.977 0.342 18.376 1.00 0.00 H new ATOM 757 N HIS A 47 -0.003 -0.273 21.542 1.00 0.00 N ATOM 758 CA HIS A 47 1.250 -0.355 22.234 1.00 0.00 C ATOM 759 C HIS A 47 1.410 -1.769 22.660 1.00 0.00 C ATOM 760 O HIS A 47 0.460 -2.390 23.134 1.00 0.00 O ATOM 761 CB HIS A 47 1.306 0.453 23.526 1.00 0.00 C ATOM 762 CG HIS A 47 0.421 1.648 23.491 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.585 2.692 22.611 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.672 1.954 24.234 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.400 3.574 22.861 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.189 3.172 23.838 1.00 0.00 N ATOM 0 H HIS A 47 -0.750 -0.805 21.988 1.00 0.00 H new ATOM 0 HA HIS A 47 2.012 0.026 21.554 1.00 0.00 H new ATOM 0 HB2 HIS A 47 1.017 -0.184 24.362 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.333 0.771 23.707 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.314 2.781 21.904 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.079 1.335 25.020 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.529 4.502 22.324 1.00 0.00 H new ATOM 774 N GLY A 48 2.631 -2.309 22.542 1.00 0.00 N ATOM 775 CA GLY A 48 2.858 -3.622 23.056 1.00 0.00 C ATOM 776 C GLY A 48 4.093 -4.119 22.408 1.00 0.00 C ATOM 777 O GLY A 48 5.178 -3.583 22.628 1.00 0.00 O ATOM 0 H GLY A 48 3.436 -1.858 22.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.970 -3.600 24.140 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.014 -4.276 22.836 1.00 0.00 H new ATOM 781 N ASN A 49 3.930 -5.170 21.584 1.00 0.00 N ATOM 782 CA ASN A 49 5.018 -5.731 20.847 1.00 0.00 C ATOM 783 C ASN A 49 4.464 -5.902 19.473 1.00 0.00 C ATOM 784 O ASN A 49 3.345 -6.386 19.306 1.00 0.00 O ATOM 785 CB ASN A 49 5.464 -7.091 21.423 1.00 0.00 C ATOM 786 CG ASN A 49 6.847 -7.510 20.915 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.547 -6.787 20.196 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.253 -8.744 21.347 1.00 0.00 N ATOM 0 H ASN A 49 3.035 -5.634 21.428 1.00 0.00 H new ATOM 0 HA ASN A 49 5.904 -5.097 20.881 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.481 -7.035 22.511 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.734 -7.854 21.154 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.169 -9.103 21.077 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.640 -9.304 21.939 1.00 0.00 H new ATOM 795 N LYS A 50 5.250 -5.502 18.445 1.00 0.00 N ATOM 796 CA LYS A 50 4.848 -5.669 17.077 1.00 0.00 C ATOM 797 C LYS A 50 5.290 -7.005 16.554 1.00 0.00 C ATOM 798 O LYS A 50 5.069 -7.314 15.387 1.00 0.00 O ATOM 799 CB LYS A 50 5.301 -4.560 16.102 1.00 0.00 C ATOM 800 CG LYS A 50 6.782 -4.171 16.191 1.00 0.00 C ATOM 801 CD LYS A 50 7.196 -3.228 15.053 1.00 0.00 C ATOM 802 CE LYS A 50 8.647 -2.750 15.154 1.00 0.00 C ATOM 803 NZ LYS A 50 9.580 -3.895 15.052 1.00 0.00 N ATOM 0 H LYS A 50 6.163 -5.063 18.565 1.00 0.00 H new ATOM 0 HA LYS A 50 3.761 -5.599 17.110 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.089 -4.886 15.084 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.698 -3.671 16.284 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.974 -3.689 17.150 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.396 -5.071 16.158 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.055 -3.738 14.100 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.535 -2.361 15.052 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.855 -2.032 14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.800 -2.232 16.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.558 -3.544 15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.461 -4.514 15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.377 -4.432 14.185 1.00 0.00 H new ATOM 817 N ARG A 51 5.896 -7.847 17.419 1.00 0.00 N ATOM 818 CA ARG A 51 6.146 -9.221 17.103 1.00 0.00 C ATOM 819 C ARG A 51 4.892 -9.967 17.437 1.00 0.00 C ATOM 820 O ARG A 51 4.591 -10.990 16.829 1.00 0.00 O ATOM 821 CB ARG A 51 7.323 -9.811 17.901 1.00 0.00 C ATOM 822 CG ARG A 51 7.842 -11.157 17.371 1.00 0.00 C ATOM 823 CD ARG A 51 9.026 -11.701 18.178 1.00 0.00 C ATOM 824 NE ARG A 51 10.164 -10.745 18.044 1.00 0.00 N ATOM 825 CZ ARG A 51 11.320 -10.930 18.745 1.00 0.00 C ATOM 826 NH1 ARG A 51 11.459 -12.002 19.578 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.344 -10.036 18.609 1.00 0.00 N ATOM 0 H ARG A 51 6.215 -7.569 18.347 1.00 0.00 H new ATOM 0 HA ARG A 51 6.417 -9.306 16.051 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.143 -9.093 17.898 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.014 -9.938 18.939 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.031 -11.886 17.389 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.142 -11.040 16.330 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.750 -11.818 19.226 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.313 -12.687 17.813 1.00 0.00 H new ATOM 0 HE ARG A 51 10.077 -9.943 17.420 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.696 -12.671 19.680 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.326 -12.134 20.099 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.242 -9.235 17.986 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.210 -10.170 19.131 1.00 0.00 H new ATOM 841 N SER A 52 4.130 -9.440 18.419 1.00 0.00 N ATOM 842 CA SER A 52 2.857 -9.955 18.798 1.00 0.00 C ATOM 843 C SER A 52 1.782 -9.401 17.920 1.00 0.00 C ATOM 844 O SER A 52 0.756 -10.058 17.781 1.00 0.00 O ATOM 845 CB SER A 52 2.515 -9.662 20.258 1.00 0.00 C ATOM 846 OG SER A 52 3.454 -10.298 21.112 1.00 0.00 O ATOM 0 H SER A 52 4.416 -8.627 18.964 1.00 0.00 H new ATOM 0 HA SER A 52 2.915 -11.037 18.679 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.522 -8.586 20.433 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.509 -10.015 20.483 1.00 0.00 H new ATOM 0 HG SER A 52 3.230 -10.105 22.046 1.00 0.00 H new ATOM 852 N ILE A 53 1.987 -8.199 17.311 1.00 0.00 N ATOM 853 CA ILE A 53 1.053 -7.670 16.341 1.00 0.00 C ATOM 854 C ILE A 53 1.164 -8.485 15.093 1.00 0.00 C ATOM 855 O ILE A 53 0.156 -8.842 14.498 1.00 0.00 O ATOM 856 CB ILE A 53 1.152 -6.149 16.092 1.00 0.00 C ATOM 857 CG1 ILE A 53 -0.214 -5.441 16.013 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.937 -5.734 14.831 1.00 0.00 C ATOM 859 CD1 ILE A 53 -1.069 -5.670 17.245 1.00 0.00 C ATOM 0 H ILE A 53 2.793 -7.600 17.490 1.00 0.00 H new ATOM 0 HA ILE A 53 0.050 -7.765 16.758 1.00 0.00 H new ATOM 0 HB ILE A 53 1.704 -5.829 16.976 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.056 -4.371 15.880 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.751 -5.795 15.133 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.946 -4.647 14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.961 -6.101 14.902 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.459 -6.160 13.949 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.019 -5.147 17.131 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.255 -6.737 17.366 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.549 -5.291 18.125 1.00 0.00 H new ATOM 871 N LYS A 54 2.404 -8.821 14.699 1.00 0.00 N ATOM 872 CA LYS A 54 2.691 -9.607 13.522 1.00 0.00 C ATOM 873 C LYS A 54 2.076 -10.973 13.644 1.00 0.00 C ATOM 874 O LYS A 54 1.290 -11.405 12.794 1.00 0.00 O ATOM 875 CB LYS A 54 4.203 -9.770 13.280 1.00 0.00 C ATOM 876 CG LYS A 54 4.564 -10.057 11.821 1.00 0.00 C ATOM 877 CD LYS A 54 6.080 -10.094 11.595 1.00 0.00 C ATOM 878 CE LYS A 54 6.464 -9.913 10.124 1.00 0.00 C ATOM 879 NZ LYS A 54 7.931 -10.002 9.960 1.00 0.00 N ATOM 0 H LYS A 54 3.241 -8.541 15.211 1.00 0.00 H new ATOM 0 HA LYS A 54 2.263 -9.069 12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.713 -8.861 13.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.577 -10.582 13.904 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.131 -11.012 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.122 -9.293 11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.551 -9.310 12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.473 -11.045 11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.977 -10.677 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.109 -8.947 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.176 -9.877 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.389 -9.258 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.261 -10.934 10.284 1.00 0.00 H new ATOM 893 N ALA A 55 2.376 -11.649 14.779 1.00 0.00 N ATOM 894 CA ALA A 55 1.917 -12.975 15.088 1.00 0.00 C ATOM 895 C ALA A 55 0.481 -13.023 15.519 1.00 0.00 C ATOM 896 O ALA A 55 0.012 -14.087 15.926 1.00 0.00 O ATOM 897 CB ALA A 55 2.714 -13.623 16.232 1.00 0.00 C ATOM 0 H ALA A 55 2.964 -11.252 15.511 1.00 0.00 H new ATOM 0 HA ALA A 55 2.054 -13.514 14.151 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.326 -14.623 16.425 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.765 -13.689 15.951 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.617 -13.016 17.132 1.00 0.00 H new ATOM 903 N ILE A 56 -0.259 -11.890 15.424 1.00 0.00 N ATOM 904 CA ILE A 56 -1.657 -11.875 15.693 1.00 0.00 C ATOM 905 C ILE A 56 -2.359 -12.462 14.522 1.00 0.00 C ATOM 906 O ILE A 56 -3.389 -13.117 14.671 1.00 0.00 O ATOM 907 CB ILE A 56 -2.179 -10.500 16.090 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.185 -10.673 17.224 1.00 0.00 C ATOM 909 CG2 ILE A 56 -2.767 -9.641 14.955 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.465 -10.938 18.538 1.00 0.00 C ATOM 0 H ILE A 56 0.125 -10.983 15.158 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.862 -12.485 16.573 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.307 -9.928 16.407 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.799 -9.777 17.313 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.858 -11.500 16.998 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.105 -8.687 15.359 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.002 -9.465 14.199 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.610 -10.163 14.503 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.197 -11.059 19.336 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.870 -11.847 18.450 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.811 -10.098 18.770 1.00 0.00 H new ATOM 922 N CYS A 57 -1.792 -12.215 13.327 1.00 0.00 N ATOM 923 CA CYS A 57 -2.502 -12.475 12.101 1.00 0.00 C ATOM 924 C CYS A 57 -2.217 -13.823 11.507 1.00 0.00 C ATOM 925 O CYS A 57 -2.660 -14.098 10.392 1.00 0.00 O ATOM 926 CB CYS A 57 -2.253 -11.409 11.024 1.00 0.00 C ATOM 927 SG CYS A 57 -3.366 -10.001 11.206 1.00 0.00 S ATOM 0 H CYS A 57 -0.852 -11.839 13.204 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.548 -12.446 12.406 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.220 -11.066 11.084 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.385 -11.852 10.037 1.00 0.00 H new ATOM 932 N GLU A 58 -1.513 -14.725 12.238 1.00 0.00 N ATOM 933 CA GLU A 58 -1.169 -16.025 11.711 1.00 0.00 C ATOM 934 C GLU A 58 -2.030 -17.075 12.302 1.00 0.00 C ATOM 935 O GLU A 58 -1.680 -18.255 12.341 1.00 0.00 O ATOM 936 CB GLU A 58 0.289 -16.426 11.994 1.00 0.00 C ATOM 937 CG GLU A 58 1.259 -15.254 11.833 1.00 0.00 C ATOM 938 CD GLU A 58 2.674 -15.751 12.083 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.940 -16.234 13.217 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.510 -15.650 11.146 1.00 0.00 O ATOM 0 H GLU A 58 -1.184 -14.555 13.188 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.315 -15.946 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.364 -16.820 13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.580 -17.230 11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.179 -14.833 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.009 -14.458 12.535 1.00 0.00 H new ATOM 947 N ASN A 59 -3.189 -16.588 12.763 1.00 0.00 N ATOM 948 CA ASN A 59 -4.242 -17.219 13.524 1.00 0.00 C ATOM 949 C ASN A 59 -3.748 -18.101 14.637 1.00 0.00 C ATOM 950 O ASN A 59 -4.330 -19.154 14.896 1.00 0.00 O ATOM 951 CB ASN A 59 -5.218 -18.026 12.650 1.00 0.00 C ATOM 952 CG ASN A 59 -5.780 -17.092 11.578 1.00 0.00 C ATOM 953 OD1 ASN A 59 -5.452 -17.212 10.391 1.00 0.00 O ATOM 954 ND2 ASN A 59 -6.654 -16.141 12.027 1.00 0.00 N ATOM 0 H ASN A 59 -3.427 -15.613 12.579 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.771 -16.376 13.968 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.706 -18.871 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.024 -18.436 13.259 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.073 -15.483 11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.887 -16.090 13.019 1.00 0.00 H new ATOM 961 N LYS A 60 -2.663 -17.681 15.324 1.00 0.00 N ATOM 962 CA LYS A 60 -2.088 -18.445 16.390 1.00 0.00 C ATOM 963 C LYS A 60 -2.509 -17.751 17.634 1.00 0.00 C ATOM 964 O LYS A 60 -2.760 -18.371 18.665 1.00 0.00 O ATOM 965 CB LYS A 60 -0.548 -18.483 16.314 1.00 0.00 C ATOM 966 CG LYS A 60 0.108 -19.421 17.337 1.00 0.00 C ATOM 967 CD LYS A 60 1.626 -19.544 17.136 1.00 0.00 C ATOM 968 CE LYS A 60 2.277 -20.500 18.139 1.00 0.00 C ATOM 969 NZ LYS A 60 3.731 -20.591 17.890 1.00 0.00 N ATOM 0 H LYS A 60 -2.182 -16.802 15.136 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.421 -19.482 16.343 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.252 -18.792 15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.163 -17.474 16.463 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.093 -19.053 18.343 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.346 -20.409 17.262 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.828 -19.893 16.123 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.082 -18.559 17.230 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.096 -20.150 19.155 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.824 -21.488 18.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.161 -21.243 18.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.897 -20.945 16.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.160 -19.649 17.991 1.00 0.00 H new ATOM 983 N ASN A 61 -2.578 -16.411 17.529 1.00 0.00 N ATOM 984 CA ASN A 61 -2.818 -15.546 18.637 1.00 0.00 C ATOM 985 C ASN A 61 -4.067 -14.781 18.313 1.00 0.00 C ATOM 986 O ASN A 61 -4.272 -13.675 18.804 1.00 0.00 O ATOM 987 CB ASN A 61 -1.602 -14.609 18.802 1.00 0.00 C ATOM 988 CG ASN A 61 -1.466 -14.006 20.201 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.227 -14.308 21.128 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.423 -13.125 20.330 1.00 0.00 N ATOM 0 H ASN A 61 -2.463 -15.917 16.644 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.948 -16.086 19.575 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.694 -15.164 18.567 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.678 -13.800 18.075 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.241 -12.679 21.229 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.170 -12.916 19.527 1.00 0.00 H new ATOM 997 N GLY A 62 -4.953 -15.355 17.470 1.00 0.00 N ATOM 998 CA GLY A 62 -6.154 -14.651 17.134 1.00 0.00 C ATOM 999 C GLY A 62 -7.161 -15.579 16.533 1.00 0.00 C ATOM 1000 O GLY A 62 -6.820 -16.567 15.885 1.00 0.00 O ATOM 0 H GLY A 62 -4.844 -16.272 17.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.570 -14.184 18.027 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.927 -13.849 16.432 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.448 -15.241 16.759 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.594 -15.969 16.292 1.00 0.00 C ATOM 1006 C ASN A 63 -10.126 -15.264 15.075 1.00 0.00 C ATOM 1007 O ASN A 63 -10.402 -14.072 15.207 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.736 -15.904 17.318 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.361 -16.781 18.507 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -10.151 -17.992 18.376 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.280 -16.126 19.703 1.00 0.00 N ATOM 0 H ASN A 63 -8.703 -14.413 17.298 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.292 -17.000 16.106 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.898 -14.876 17.641 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.668 -16.249 16.871 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.035 -16.639 20.550 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.465 -15.124 19.749 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.307 -15.889 13.911 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.718 -15.220 12.699 1.00 0.00 C ATOM 1020 C PRO A 64 -12.167 -14.856 12.834 1.00 0.00 C ATOM 1021 O PRO A 64 -12.940 -15.632 13.397 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.504 -16.247 11.586 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.525 -17.606 12.293 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.976 -17.283 13.681 1.00 0.00 C ATOM 0 HA PRO A 64 -10.163 -14.305 12.492 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.289 -16.182 10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.556 -16.083 11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.533 -18.018 12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.906 -18.339 11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.425 -17.924 14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.899 -17.443 13.725 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.533 -13.661 12.320 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.843 -13.117 12.504 1.00 0.00 C ATOM 1034 C HIS A 65 -14.410 -12.846 11.149 1.00 0.00 C ATOM 1035 O HIS A 65 -14.424 -11.704 10.689 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.831 -11.817 13.333 1.00 0.00 C ATOM 1037 CG HIS A 65 -15.197 -11.235 13.536 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -16.187 -11.894 14.212 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -15.716 -10.057 13.117 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -17.275 -11.137 14.202 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -17.016 -10.015 13.544 1.00 0.00 N ATOM 0 H HIS A 65 -11.910 -13.069 11.771 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.448 -13.834 13.058 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -13.380 -12.017 14.305 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.200 -11.081 12.834 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.201 -9.294 12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.221 -11.393 14.657 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -17.673 -9.251 13.384 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.921 -13.928 10.519 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.710 -13.924 9.314 1.00 0.00 C ATOM 1052 C ARG A 66 -14.977 -13.458 8.092 1.00 0.00 C ATOM 1053 O ARG A 66 -14.272 -14.242 7.459 1.00 0.00 O ATOM 1054 CB ARG A 66 -17.073 -13.207 9.438 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.970 -13.862 10.497 1.00 0.00 C ATOM 1056 CD ARG A 66 -19.388 -13.294 10.526 1.00 0.00 C ATOM 1057 NE ARG A 66 -20.152 -14.076 11.539 1.00 0.00 N ATOM 1058 CZ ARG A 66 -21.509 -13.963 11.641 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -22.193 -13.098 10.837 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -22.185 -14.722 12.553 1.00 0.00 N ATOM 0 H ARG A 66 -14.772 -14.871 10.877 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.922 -14.984 9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.911 -12.161 9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.580 -13.222 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.020 -14.934 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.515 -13.733 11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.374 -12.236 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.855 -13.374 9.545 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.653 -14.706 12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.691 -12.531 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -23.207 -13.019 10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.676 -15.370 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.199 -14.641 12.633 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.181 -12.178 7.712 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.827 -11.670 6.419 1.00 0.00 C ATOM 1076 C GLU A 67 -13.548 -10.903 6.531 1.00 0.00 C ATOM 1077 O GLU A 67 -13.525 -9.676 6.433 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.941 -10.783 5.822 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.773 -10.482 4.326 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.964 -9.649 3.874 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.114 -10.157 3.962 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.738 -8.489 3.433 1.00 0.00 O ATOM 0 H GLU A 67 -15.604 -11.479 8.322 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.697 -12.513 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.902 -11.273 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.972 -9.841 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.842 -9.943 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.718 -11.409 3.755 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.448 -11.669 6.719 1.00 0.00 N ATOM 1090 CA ASN A 68 -11.049 -11.289 6.720 1.00 0.00 C ATOM 1091 C ASN A 68 -10.684 -10.224 7.719 1.00 0.00 C ATOM 1092 O ASN A 68 -9.746 -9.458 7.505 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.411 -11.023 5.320 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.063 -9.894 4.503 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.952 -10.153 3.682 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.583 -8.631 4.711 1.00 0.00 N ATOM 0 H ASN A 68 -12.549 -12.669 6.890 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.580 -12.209 7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.356 -10.786 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.457 -11.943 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.959 -7.848 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.849 -8.472 5.401 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.403 -10.183 8.860 1.00 0.00 N ATOM 1104 CA LEU A 69 -11.076 -9.310 9.945 1.00 0.00 C ATOM 1105 C LEU A 69 -10.830 -10.325 10.980 1.00 0.00 C ATOM 1106 O LEU A 69 -11.242 -11.468 10.800 1.00 0.00 O ATOM 1107 CB LEU A 69 -12.224 -8.395 10.416 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.876 -7.525 9.313 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.939 -6.600 9.919 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.885 -6.659 8.522 1.00 0.00 C ATOM 0 H LEU A 69 -12.223 -10.765 9.029 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.278 -8.610 9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.997 -9.015 10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.844 -7.736 11.197 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.316 -8.238 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.387 -5.995 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.712 -7.200 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.474 -5.947 10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.425 -6.082 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.373 -5.979 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.153 -7.300 8.031 1.00 0.00 H new ATOM 1122 N ARG A 70 -10.130 -9.970 12.067 1.00 0.00 N ATOM 1123 CA ARG A 70 -9.736 -11.011 12.966 1.00 0.00 C ATOM 1124 C ARG A 70 -9.527 -10.317 14.268 1.00 0.00 C ATOM 1125 O ARG A 70 -9.144 -9.148 14.302 1.00 0.00 O ATOM 1126 CB ARG A 70 -8.495 -11.768 12.417 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.883 -12.874 13.294 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.411 -12.695 13.671 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.321 -11.741 14.820 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.117 -10.406 14.633 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -5.944 -9.902 13.381 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.075 -9.553 15.694 1.00 0.00 N ATOM 0 H ARG A 70 -9.848 -9.022 12.318 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.478 -11.800 13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.770 -12.213 11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.717 -11.032 12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.466 -12.946 14.212 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.991 -13.825 12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.971 -13.655 13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.847 -12.315 12.819 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.415 -12.100 15.770 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.966 -10.524 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.792 -8.902 13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.197 -9.911 16.641 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.922 -8.556 15.541 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.794 -11.043 15.372 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.793 -10.520 16.707 1.00 0.00 C ATOM 1148 C ILE A 71 -8.674 -11.175 17.452 1.00 0.00 C ATOM 1149 O ILE A 71 -8.596 -12.399 17.504 1.00 0.00 O ATOM 1150 CB ILE A 71 -11.127 -10.876 17.359 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -12.156 -9.817 16.933 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.065 -11.032 18.896 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -13.616 -10.219 17.129 1.00 0.00 C ATOM 0 H ILE A 71 -10.020 -12.037 15.333 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.661 -9.438 16.713 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.421 -11.866 17.010 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.968 -8.903 17.496 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.998 -9.582 15.881 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.055 -11.285 19.276 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.364 -11.826 19.153 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.733 -10.095 19.344 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -14.264 -9.407 16.800 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.829 -11.113 16.544 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.798 -10.424 18.184 1.00 0.00 H new ATOM 1165 N SER A 72 -7.784 -10.353 18.057 1.00 0.00 N ATOM 1166 CA SER A 72 -6.692 -10.825 18.876 1.00 0.00 C ATOM 1167 C SER A 72 -7.129 -11.432 20.176 1.00 0.00 C ATOM 1168 O SER A 72 -8.232 -11.188 20.667 1.00 0.00 O ATOM 1169 CB SER A 72 -5.713 -9.707 19.265 1.00 0.00 C ATOM 1170 OG SER A 72 -6.267 -8.842 20.235 1.00 0.00 O ATOM 0 H SER A 72 -7.823 -9.337 17.976 1.00 0.00 H new ATOM 0 HA SER A 72 -6.220 -11.573 18.239 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.794 -10.147 19.652 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.444 -9.134 18.378 1.00 0.00 H new ATOM 0 HG SER A 72 -5.570 -8.245 20.577 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.220 -12.238 20.767 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.431 -12.859 22.043 1.00 0.00 C ATOM 1178 C LYS A 73 -5.405 -12.360 23.006 1.00 0.00 C ATOM 1179 O LYS A 73 -5.601 -12.475 24.214 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.317 -14.394 22.005 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.676 -15.100 21.889 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.490 -15.040 23.192 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.839 -15.758 23.104 1.00 0.00 C ATOM 1184 NZ LYS A 73 -10.535 -15.700 24.408 1.00 0.00 N ATOM 0 H LYS A 73 -5.318 -12.462 20.347 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.447 -12.602 22.344 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.691 -14.684 21.161 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.813 -14.737 22.909 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.251 -14.641 21.085 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.517 -16.142 21.613 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.904 -15.482 23.998 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.660 -13.996 23.457 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.456 -15.295 22.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.688 -16.797 22.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.449 -16.191 24.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.951 -16.162 25.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.695 -14.707 24.672 1.00 0.00 H new ATOM 1198 N SER A 74 -4.292 -11.787 22.496 1.00 0.00 N ATOM 1199 CA SER A 74 -3.294 -11.192 23.335 1.00 0.00 C ATOM 1200 C SER A 74 -3.511 -9.730 23.215 1.00 0.00 C ATOM 1201 O SER A 74 -2.868 -9.059 22.412 1.00 0.00 O ATOM 1202 CB SER A 74 -1.844 -11.509 22.936 1.00 0.00 C ATOM 1203 OG SER A 74 -0.936 -10.850 23.807 1.00 0.00 O ATOM 0 H SER A 74 -4.085 -11.737 21.498 1.00 0.00 H new ATOM 0 HA SER A 74 -3.404 -11.589 24.344 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.677 -12.585 22.973 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.666 -11.194 21.908 1.00 0.00 H new ATOM 0 HG SER A 74 -0.017 -11.062 23.542 1.00 0.00 H new ATOM 1209 N SER A 75 -4.461 -9.245 24.035 1.00 0.00 N ATOM 1210 CA SER A 75 -4.856 -7.870 24.191 1.00 0.00 C ATOM 1211 C SER A 75 -3.695 -6.962 24.464 1.00 0.00 C ATOM 1212 O SER A 75 -2.792 -7.275 25.239 1.00 0.00 O ATOM 1213 CB SER A 75 -5.874 -7.689 25.327 1.00 0.00 C ATOM 1214 OG SER A 75 -5.391 -8.292 26.517 1.00 0.00 O ATOM 0 H SER A 75 -5.000 -9.864 24.641 1.00 0.00 H new ATOM 0 HA SER A 75 -5.309 -7.598 23.238 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.056 -6.628 25.496 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.828 -8.135 25.045 1.00 0.00 H new ATOM 0 HG SER A 75 -5.167 -7.596 27.169 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.712 -5.803 23.774 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.592 -4.911 23.705 1.00 0.00 C ATOM 1222 C PHE A 76 -3.015 -3.688 24.408 1.00 0.00 C ATOM 1223 O PHE A 76 -4.205 -3.483 24.621 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.265 -4.460 22.266 1.00 0.00 C ATOM 1225 CG PHE A 76 -1.873 -5.616 21.410 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.843 -6.373 20.785 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.538 -5.912 21.184 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.499 -7.436 19.991 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.184 -6.978 20.377 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.170 -7.754 19.807 1.00 0.00 C ATOM 0 H PHE A 76 -4.525 -5.478 23.251 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.721 -5.420 24.119 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.133 -3.962 21.833 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.456 -3.730 22.287 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.885 -6.125 20.923 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.231 -5.306 21.641 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.267 -8.023 19.510 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.857 -7.201 20.195 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.901 -8.615 19.213 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.039 -2.835 24.777 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.361 -1.568 25.347 1.00 0.00 C ATOM 1242 C GLN A 77 -2.754 -0.672 24.241 1.00 0.00 C ATOM 1243 O GLN A 77 -2.279 -0.820 23.121 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.229 -0.923 26.163 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.375 -1.858 27.020 1.00 0.00 C ATOM 1246 CD GLN A 77 0.242 -0.988 28.110 1.00 0.00 C ATOM 1247 OE1 GLN A 77 1.326 -0.416 27.950 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -0.512 -0.891 29.248 1.00 0.00 N ATOM 0 H GLN A 77 -1.041 -3.022 24.681 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.167 -1.728 26.063 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.569 -0.399 25.472 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.669 -0.170 26.817 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.982 -2.653 27.453 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.398 -2.338 26.421 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.399 -1.390 29.316 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.187 -0.320 30.028 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.673 0.267 24.528 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.305 1.007 23.478 1.00 0.00 C ATOM 1259 C VAL A 78 -4.520 2.373 24.055 1.00 0.00 C ATOM 1260 O VAL A 78 -4.748 2.510 25.251 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.589 0.289 23.088 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.847 1.178 23.018 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.261 -0.432 21.770 1.00 0.00 C ATOM 0 H VAL A 78 -3.976 0.512 25.471 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.724 1.089 22.560 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.881 -0.412 23.870 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.706 0.571 22.732 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.029 1.628 23.994 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.696 1.964 22.278 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.141 -0.975 21.423 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.967 0.300 21.018 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.443 -1.134 21.933 1.00 0.00 H new ATOM 1273 N THR A 79 -4.435 3.434 23.230 1.00 0.00 N ATOM 1274 CA THR A 79 -4.797 4.751 23.676 1.00 0.00 C ATOM 1275 C THR A 79 -5.541 5.308 22.514 1.00 0.00 C ATOM 1276 O THR A 79 -4.951 5.667 21.495 1.00 0.00 O ATOM 1277 CB THR A 79 -3.636 5.643 24.081 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.021 5.133 25.256 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.120 7.065 24.400 1.00 0.00 C ATOM 0 H THR A 79 -4.119 3.384 22.262 1.00 0.00 H new ATOM 0 HA THR A 79 -5.375 4.701 24.599 1.00 0.00 H new ATOM 0 HB THR A 79 -2.934 5.665 23.247 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.363 4.450 25.010 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.269 7.683 24.687 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.598 7.493 23.519 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.836 7.030 25.221 1.00 0.00 H new ATOM 1287 N THR A 80 -6.879 5.363 22.664 1.00 0.00 N ATOM 1288 CA THR A 80 -7.777 5.789 21.634 1.00 0.00 C ATOM 1289 C THR A 80 -7.954 7.265 21.777 1.00 0.00 C ATOM 1290 O THR A 80 -8.724 7.733 22.612 1.00 0.00 O ATOM 1291 CB THR A 80 -9.116 5.097 21.743 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.915 3.693 21.711 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.042 5.500 20.581 1.00 0.00 C ATOM 0 H THR A 80 -7.350 5.102 23.530 1.00 0.00 H new ATOM 0 HA THR A 80 -7.363 5.533 20.659 1.00 0.00 H new ATOM 0 HB THR A 80 -9.586 5.395 22.680 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.678 3.417 20.801 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.999 4.988 20.684 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.203 6.578 20.601 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.580 5.220 19.634 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.228 8.031 20.942 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.253 9.459 21.010 1.00 0.00 C ATOM 1303 C CYS A 81 -8.292 9.941 20.077 1.00 0.00 C ATOM 1304 O CYS A 81 -8.247 9.635 18.888 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.927 10.069 20.573 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.593 9.136 21.332 1.00 0.00 S ATOM 0 H CYS A 81 -6.619 7.657 20.214 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.450 9.750 22.042 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.838 10.043 19.487 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.875 11.116 20.872 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.250 10.717 20.614 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.309 11.243 19.811 1.00 0.00 C ATOM 1313 C LYS A 82 -10.094 12.714 19.850 1.00 0.00 C ATOM 1314 O LYS A 82 -9.625 13.241 20.856 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.712 10.913 20.359 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.844 11.236 19.372 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.218 10.795 19.884 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.346 11.024 18.873 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.139 10.194 17.667 1.00 0.00 N ATOM 0 H LYS A 82 -9.292 10.979 21.599 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.283 10.811 18.810 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.754 9.854 20.615 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.874 11.471 21.281 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.859 12.309 19.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.641 10.746 18.420 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.179 9.736 20.140 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.447 11.337 20.802 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.306 10.780 19.329 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.384 12.077 18.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.002 10.203 17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.346 10.577 17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.923 9.217 17.951 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.422 13.392 18.736 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.270 14.806 18.574 1.00 0.00 C ATOM 1335 C LEU A 83 -11.300 15.494 19.408 1.00 0.00 C ATOM 1336 O LEU A 83 -12.496 15.455 19.123 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.503 15.180 17.093 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.363 16.660 16.675 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.916 17.171 16.773 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.905 16.822 15.243 1.00 0.00 C ATOM 0 H LEU A 83 -10.811 12.935 17.911 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.268 15.108 18.878 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.805 14.598 16.491 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.507 14.853 16.823 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.944 17.267 17.369 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.878 18.217 16.467 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.567 17.081 17.802 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.276 16.578 16.120 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.812 17.863 14.935 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.333 16.190 14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.954 16.528 15.216 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.804 16.166 20.461 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.573 17.049 21.279 1.00 0.00 C ATOM 1354 C HIS A 84 -11.327 18.390 20.667 1.00 0.00 C ATOM 1355 O HIS A 84 -10.328 18.586 19.976 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.094 16.980 22.743 1.00 0.00 C ATOM 1357 CG HIS A 84 -11.312 18.211 23.566 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.527 18.593 24.068 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -10.405 19.136 23.956 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -12.359 19.725 24.740 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -11.079 20.075 24.687 1.00 0.00 N ATOM 0 H HIS A 84 -9.830 16.091 20.754 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.634 16.804 21.313 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.600 16.147 23.231 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.028 16.750 22.745 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.348 19.133 23.732 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.138 20.274 25.248 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.668 20.903 25.118 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.260 19.338 20.888 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.206 20.629 20.263 1.00 0.00 C ATOM 1372 C GLY A 85 -13.205 20.595 19.164 1.00 0.00 C ATOM 1373 O GLY A 85 -14.319 21.099 19.305 1.00 0.00 O ATOM 0 H GLY A 85 -13.061 19.208 21.507 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.439 21.418 20.978 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.208 20.834 19.876 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.802 19.976 18.040 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.662 19.765 16.915 1.00 0.00 C ATOM 1379 C GLY A 86 -13.308 20.764 15.871 1.00 0.00 C ATOM 1380 O GLY A 86 -14.148 21.132 15.052 1.00 0.00 O ATOM 0 H GLY A 86 -11.858 19.614 17.909 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.543 18.752 16.529 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.706 19.874 17.208 1.00 0.00 H new ATOM 1384 N SER A 87 -12.035 21.208 15.881 1.00 0.00 N ATOM 1385 CA SER A 87 -11.497 22.026 14.835 1.00 0.00 C ATOM 1386 C SER A 87 -10.948 21.047 13.837 1.00 0.00 C ATOM 1387 O SER A 87 -10.159 20.205 14.264 1.00 0.00 O ATOM 1388 CB SER A 87 -10.337 22.915 15.313 1.00 0.00 C ATOM 1389 OG SER A 87 -9.861 23.710 14.238 1.00 0.00 O ATOM 0 H SER A 87 -11.371 20.996 16.625 1.00 0.00 H new ATOM 0 HA SER A 87 -12.267 22.692 14.446 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.671 23.555 16.130 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.530 22.295 15.703 1.00 0.00 H new ATOM 0 HG SER A 87 -9.066 23.290 13.847 1.00 0.00 H new ATOM 1395 N PRO A 88 -11.274 21.077 12.545 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.768 20.097 11.619 1.00 0.00 C ATOM 1397 C PRO A 88 -9.374 20.475 11.229 1.00 0.00 C ATOM 1398 O PRO A 88 -8.659 19.611 10.735 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.655 20.207 10.379 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.944 20.855 10.883 1.00 0.00 C ATOM 1401 CD PRO A 88 -12.451 21.751 12.019 1.00 0.00 C ATOM 0 HA PRO A 88 -10.768 19.094 12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.182 20.813 9.606 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.848 19.227 9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.440 21.430 10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.659 20.112 11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.205 22.749 11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.214 21.870 12.788 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.992 21.754 11.400 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.736 22.260 10.949 1.00 0.00 C ATOM 1411 C TRP A 89 -6.834 22.330 12.143 1.00 0.00 C ATOM 1412 O TRP A 89 -7.353 22.265 13.256 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.943 23.649 10.329 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.955 23.551 9.215 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -10.257 23.959 9.191 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.733 22.815 8.000 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.852 23.551 8.022 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.929 22.838 7.285 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.632 22.156 7.529 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -10.037 22.204 6.079 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.746 21.502 6.322 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.930 21.528 5.606 1.00 0.00 C ATOM 0 H TRP A 89 -9.573 22.453 11.864 1.00 0.00 H new ATOM 0 HA TRP A 89 -7.293 21.619 10.187 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -8.287 24.351 11.088 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.998 24.033 9.945 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.746 24.519 9.974 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.815 23.743 7.745 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.705 22.148 8.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.958 22.231 5.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.898 20.961 5.928 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.989 21.010 4.660 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.519 22.452 11.984 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.612 22.416 13.098 1.00 0.00 C ATOM 1435 C PRO A 90 -4.744 23.732 13.836 1.00 0.00 C ATOM 1436 O PRO A 90 -4.939 24.728 13.139 1.00 0.00 O ATOM 1437 CB PRO A 90 -3.212 22.261 12.489 1.00 0.00 C ATOM 1438 CG PRO A 90 -3.383 22.519 10.989 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.841 22.150 10.735 1.00 0.00 C ATOM 0 HA PRO A 90 -4.810 21.605 13.799 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.512 22.970 12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.813 21.263 12.672 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.181 23.559 10.734 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.704 21.907 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.257 22.726 9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.943 21.097 10.473 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.646 23.838 15.159 1.00 0.00 N ATOM 1448 CA PRO A 91 -4.145 22.803 16.024 1.00 0.00 C ATOM 1449 C PRO A 91 -5.227 21.836 16.358 1.00 0.00 C ATOM 1450 O PRO A 91 -6.411 22.123 16.182 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.746 23.492 17.319 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.492 24.934 16.905 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.483 25.148 15.761 1.00 0.00 C ATOM 0 HA PRO A 91 -3.323 22.273 15.543 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.536 23.425 18.067 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.855 23.039 17.754 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.671 25.627 17.727 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.463 25.084 16.580 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.433 25.535 16.129 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.103 25.870 15.039 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.778 20.675 16.850 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.620 19.558 17.143 1.00 0.00 C ATOM 1463 C CYS A 92 -5.320 19.212 18.565 1.00 0.00 C ATOM 1464 O CYS A 92 -4.188 18.862 18.896 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.293 18.320 16.284 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.162 18.653 14.502 1.00 0.00 S ATOM 0 H CYS A 92 -3.793 20.504 17.053 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.659 19.820 16.946 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.353 17.891 16.631 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.065 17.568 16.444 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.339 19.327 19.440 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.168 19.144 20.855 1.00 0.00 C ATOM 1473 C GLN A 93 -6.868 17.878 21.248 1.00 0.00 C ATOM 1474 O GLN A 93 -8.010 17.865 21.698 1.00 0.00 O ATOM 1475 CB GLN A 93 -6.639 20.340 21.713 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.006 20.928 21.323 1.00 0.00 C ATOM 1477 CD GLN A 93 -7.917 21.869 20.115 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -8.537 21.618 19.074 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -7.130 22.976 20.275 1.00 0.00 N ATOM 0 H GLN A 93 -7.295 19.550 19.164 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.099 19.076 21.056 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.681 20.024 22.755 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.890 21.130 21.649 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.696 20.115 21.097 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.420 21.471 22.173 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.642 23.131 21.157 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.031 23.646 19.512 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.139 16.770 21.065 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.592 15.423 21.281 1.00 0.00 C ATOM 1490 C TYR A 94 -6.787 15.128 22.725 1.00 0.00 C ATOM 1491 O TYR A 94 -5.896 15.362 23.540 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.559 14.389 20.819 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.550 14.437 19.342 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.575 13.818 18.662 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.570 15.112 18.642 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.663 13.912 17.293 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.660 15.211 17.270 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.708 14.620 16.597 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.776 14.712 15.195 1.00 0.00 O ATOM 0 H TYR A 94 -5.171 16.809 20.746 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.522 15.353 20.717 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.572 14.620 21.221 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.822 13.392 21.173 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.316 13.254 19.209 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.738 15.560 19.166 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.476 13.434 16.767 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.906 15.754 16.720 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.637 14.361 14.886 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.968 14.560 23.044 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.235 14.018 24.345 1.00 0.00 C ATOM 1511 C ARG A 95 -7.978 12.553 24.220 1.00 0.00 C ATOM 1512 O ARG A 95 -8.618 11.871 23.422 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.682 14.267 24.822 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.013 13.706 26.216 1.00 0.00 C ATOM 1515 CD ARG A 95 -10.907 12.460 26.188 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.008 11.940 27.581 1.00 0.00 N ATOM 1517 CZ ARG A 95 -11.897 10.953 27.898 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -12.762 10.472 26.959 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -11.919 10.444 29.164 1.00 0.00 N ATOM 0 H ARG A 95 -8.747 14.476 22.391 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.603 14.501 25.090 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.868 15.341 24.826 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.368 13.828 24.098 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.083 13.462 26.729 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.506 14.482 26.802 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.895 12.708 25.800 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.486 11.702 25.527 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.405 12.326 28.307 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.748 10.850 26.012 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.423 9.735 27.204 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.273 10.801 29.868 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.581 9.707 29.406 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.028 12.043 25.028 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.681 10.654 25.012 1.00 0.00 C ATOM 1535 C ALA A 96 -7.607 9.905 25.909 1.00 0.00 C ATOM 1536 O ALA A 96 -7.878 10.336 27.030 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.272 10.405 25.556 1.00 0.00 C ATOM 0 H ALA A 96 -6.496 12.599 25.698 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.742 10.327 23.974 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.053 9.338 25.524 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.546 10.943 24.946 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.212 10.757 26.586 1.00 0.00 H new ATOM 1543 N THR A 97 -8.092 8.742 25.422 1.00 0.00 N ATOM 1544 CA THR A 97 -8.881 7.841 26.211 1.00 0.00 C ATOM 1545 C THR A 97 -8.045 6.606 26.320 1.00 0.00 C ATOM 1546 O THR A 97 -8.001 5.793 25.400 1.00 0.00 O ATOM 1547 CB THR A 97 -10.213 7.504 25.587 1.00 0.00 C ATOM 1548 OG1 THR A 97 -10.830 8.694 25.118 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.123 6.835 26.635 1.00 0.00 C ATOM 0 H THR A 97 -7.933 8.424 24.466 1.00 0.00 H new ATOM 0 HA THR A 97 -9.125 8.295 27.171 1.00 0.00 H new ATOM 0 HB THR A 97 -10.058 6.819 24.753 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.694 8.476 24.711 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.084 6.593 26.181 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.652 5.921 26.996 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.278 7.517 27.471 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.341 6.458 27.460 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.408 5.384 27.648 1.00 0.00 C ATOM 1559 C ALA A 98 -7.141 4.131 28.010 1.00 0.00 C ATOM 1560 O ALA A 98 -8.121 4.164 28.753 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.410 5.679 28.772 1.00 0.00 C ATOM 0 H ALA A 98 -7.419 7.088 28.259 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.865 5.269 26.710 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.723 4.839 28.879 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.846 6.580 28.531 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.949 5.828 29.708 1.00 0.00 H new ATOM 1567 N GLY A 99 -6.668 2.985 27.479 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.328 1.738 27.720 1.00 0.00 C ATOM 1569 C GLY A 99 -6.394 0.612 27.409 1.00 0.00 C ATOM 1570 O GLY A 99 -5.177 0.776 27.327 1.00 0.00 O ATOM 0 H GLY A 99 -5.838 2.923 26.890 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.651 1.680 28.759 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.223 1.663 27.103 1.00 0.00 H new ATOM 1574 N PHE A 100 -6.971 -0.590 27.246 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.202 -1.784 27.079 1.00 0.00 C ATOM 1576 C PHE A 100 -7.205 -2.734 26.506 1.00 0.00 C ATOM 1577 O PHE A 100 -8.137 -3.138 27.199 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.641 -2.277 28.436 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.851 -3.533 28.312 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.532 -3.499 27.905 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.408 -4.739 28.696 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.801 -4.669 27.829 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.670 -5.903 28.646 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.366 -5.871 28.200 1.00 0.00 C ATOM 0 H PHE A 100 -7.980 -0.737 27.230 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.323 -1.661 26.446 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.012 -1.499 28.868 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.467 -2.440 29.128 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.071 -2.557 27.646 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.432 -4.770 29.039 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.780 -4.642 27.477 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.113 -6.838 28.956 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.790 -6.783 28.141 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.059 -3.074 25.204 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.106 -3.757 24.500 1.00 0.00 C ATOM 1596 C ARG A 101 -7.508 -4.694 23.498 1.00 0.00 C ATOM 1597 O ARG A 101 -6.428 -4.449 22.962 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.001 -2.796 23.693 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.480 -3.209 23.683 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.214 -2.733 22.421 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.689 -2.920 22.562 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.296 -4.146 22.570 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.581 -5.292 22.382 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.652 -4.220 22.727 1.00 0.00 N ATOM 0 H ARG A 101 -6.227 -2.878 24.648 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.699 -4.268 25.259 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.914 -1.793 24.110 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.637 -2.747 22.667 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.551 -4.294 23.754 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.975 -2.799 24.564 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.992 -1.681 22.241 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.854 -3.288 21.555 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.274 -2.090 22.657 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.573 -5.245 22.232 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.054 -6.196 22.392 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.200 -3.367 22.837 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.116 -5.128 22.735 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.249 -5.787 23.213 1.00 0.00 N ATOM 1619 CA ASN A 102 -7.970 -6.689 22.131 1.00 0.00 C ATOM 1620 C ASN A 102 -8.389 -6.011 20.867 1.00 0.00 C ATOM 1621 O ASN A 102 -9.450 -5.393 20.786 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.693 -8.053 22.262 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.195 -7.904 22.522 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.631 -7.531 23.618 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.004 -8.253 21.474 1.00 0.00 N ATOM 0 H ASN A 102 -9.071 -6.052 23.755 1.00 0.00 H new ATOM 0 HA ASN A 102 -6.904 -6.917 22.140 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.542 -8.629 21.349 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.242 -8.622 23.075 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.018 -8.212 21.577 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.593 -8.554 20.590 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.507 -6.109 19.856 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.629 -5.351 18.651 1.00 0.00 C ATOM 1634 C VAL A 103 -8.311 -6.196 17.618 1.00 0.00 C ATOM 1635 O VAL A 103 -7.995 -7.374 17.459 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.289 -4.826 18.146 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.682 -3.928 19.243 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.305 -5.957 17.777 1.00 0.00 C ATOM 0 H VAL A 103 -6.695 -6.726 19.876 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.230 -4.466 18.860 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.463 -4.262 17.230 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.721 -3.540 18.905 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.357 -3.097 19.448 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.538 -4.511 20.152 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.369 -5.524 17.424 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.112 -6.572 18.656 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.739 -6.574 16.990 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.264 -5.592 16.876 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.761 -6.173 15.662 1.00 0.00 C ATOM 1650 C VAL A 104 -8.863 -5.562 14.643 1.00 0.00 C ATOM 1651 O VAL A 104 -9.025 -4.387 14.332 1.00 0.00 O ATOM 1652 CB VAL A 104 -11.174 -5.767 15.268 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.560 -6.403 13.912 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -12.162 -6.257 16.328 1.00 0.00 C ATOM 0 H VAL A 104 -9.691 -4.698 17.119 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.782 -7.258 15.759 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.210 -4.681 15.186 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.573 -6.103 13.645 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.866 -6.066 13.142 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.513 -7.489 13.993 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.173 -5.966 16.045 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.105 -7.343 16.404 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.913 -5.812 17.291 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.906 -6.331 14.094 1.00 0.00 N ATOM 1665 CA VAL A 105 -7.104 -5.805 13.000 1.00 0.00 C ATOM 1666 C VAL A 105 -7.436 -6.711 11.854 1.00 0.00 C ATOM 1667 O VAL A 105 -7.881 -7.841 12.063 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.611 -5.630 13.237 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -5.435 -4.479 14.240 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.917 -6.896 13.737 1.00 0.00 C ATOM 0 H VAL A 105 -7.682 -7.283 14.383 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.360 -4.760 12.825 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.134 -5.405 12.283 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.374 -4.325 14.434 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.864 -3.567 13.826 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.942 -4.728 15.172 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.856 -6.695 13.883 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.362 -7.205 14.683 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.038 -7.692 13.002 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.265 -6.216 10.613 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.557 -6.990 9.443 1.00 0.00 C ATOM 1682 C ALA A 106 -6.261 -7.326 8.805 1.00 0.00 C ATOM 1683 O ALA A 106 -5.392 -6.463 8.649 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.410 -6.247 8.417 1.00 0.00 C ATOM 0 H ALA A 106 -6.923 -5.275 10.419 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.125 -7.866 9.756 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.591 -6.893 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.362 -5.968 8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.886 -5.349 8.091 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.134 -8.619 8.441 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.895 -9.177 7.992 1.00 0.00 C ATOM 1692 C CYS A 107 -4.876 -9.330 6.511 1.00 0.00 C ATOM 1693 O CYS A 107 -5.908 -9.503 5.865 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.623 -10.581 8.557 1.00 0.00 C ATOM 1695 SG CYS A 107 -5.031 -10.710 10.315 1.00 0.00 S ATOM 0 H CYS A 107 -6.905 -9.286 8.460 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.138 -8.476 8.343 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.205 -11.314 7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.572 -10.830 8.412 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.649 -9.309 5.964 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.363 -9.681 4.614 1.00 0.00 C ATOM 1702 C GLU A 108 -1.993 -10.256 4.714 1.00 0.00 C ATOM 1703 O GLU A 108 -1.084 -9.586 5.199 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.312 -8.487 3.639 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.022 -8.858 2.178 1.00 0.00 C ATOM 1706 CD GLU A 108 -2.999 -7.566 1.373 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.113 -6.712 1.646 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.867 -7.416 0.472 1.00 0.00 O ATOM 0 H GLU A 108 -2.821 -9.021 6.484 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.135 -10.345 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.265 -7.960 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.547 -7.790 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.067 -9.377 2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.786 -9.534 1.795 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.830 -11.520 4.258 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.590 -12.261 4.149 1.00 0.00 C ATOM 1717 C ASN A 109 0.030 -12.664 5.461 1.00 0.00 C ATOM 1718 O ASN A 109 1.196 -13.052 5.503 1.00 0.00 O ATOM 1719 CB ASN A 109 0.458 -11.695 3.137 1.00 0.00 C ATOM 1720 CG ASN A 109 1.279 -10.463 3.569 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.189 -10.530 4.402 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.963 -9.305 2.910 1.00 0.00 N ATOM 0 H ASN A 109 -2.627 -12.070 3.939 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.936 -13.188 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.157 -12.496 2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.068 -11.442 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.488 -8.451 3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.203 -9.296 2.230 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.749 -12.603 6.565 1.00 0.00 N ATOM 1730 CA GLY A 110 -0.271 -12.953 7.872 1.00 0.00 C ATOM 1731 C GLY A 110 0.322 -11.742 8.520 1.00 0.00 C ATOM 1732 O GLY A 110 1.071 -11.860 9.489 1.00 0.00 O ATOM 0 H GLY A 110 -1.725 -12.306 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.089 -13.341 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.476 -13.744 7.799 1.00 0.00 H new ATOM 1736 N LEU A 111 -0.017 -10.549 7.988 1.00 0.00 N ATOM 1737 CA LEU A 111 0.506 -9.304 8.470 1.00 0.00 C ATOM 1738 C LEU A 111 -0.706 -8.452 8.706 1.00 0.00 C ATOM 1739 O LEU A 111 -1.550 -8.450 7.816 1.00 0.00 O ATOM 1740 CB LEU A 111 1.327 -8.663 7.336 1.00 0.00 C ATOM 1741 CG LEU A 111 2.484 -7.729 7.701 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.406 -8.226 8.812 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.327 -7.430 6.455 1.00 0.00 C ATOM 0 H LEU A 111 -0.667 -10.448 7.208 1.00 0.00 H new ATOM 0 HA LEU A 111 1.127 -9.417 9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.734 -9.470 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.637 -8.103 6.705 1.00 0.00 H new ATOM 0 HG LEU A 111 2.003 -6.833 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.190 -7.490 8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.829 -8.371 9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.858 -9.172 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.148 -6.765 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.729 -8.361 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.703 -6.951 5.700 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.909 -7.736 9.798 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.055 -6.875 9.934 1.00 0.00 C ATOM 1757 C PRO A 112 -1.760 -5.650 9.129 1.00 0.00 C ATOM 1758 O PRO A 112 -0.796 -4.955 9.433 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.144 -6.561 11.424 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.749 -6.851 11.978 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.212 -7.944 11.052 1.00 0.00 C ATOM 0 HA PRO A 112 -2.995 -7.305 9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.426 -5.521 11.591 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.898 -7.178 11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.117 -5.963 11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.791 -7.188 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.867 -7.860 10.924 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.409 -8.937 11.455 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.584 -5.374 8.099 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.328 -4.292 7.192 1.00 0.00 C ATOM 1771 C VAL A 113 -3.329 -3.205 7.406 1.00 0.00 C ATOM 1772 O VAL A 113 -3.174 -2.119 6.848 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.370 -4.696 5.731 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.114 -5.538 5.424 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.679 -5.441 5.396 1.00 0.00 C ATOM 0 H VAL A 113 -3.432 -5.902 7.893 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.315 -3.954 7.409 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.362 -3.811 5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.125 -5.839 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.221 -4.945 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.107 -6.426 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.680 -5.718 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.753 -6.340 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.530 -4.792 5.602 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.400 -3.474 8.185 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.483 -2.533 8.259 1.00 0.00 C ATOM 1787 C HIS A 114 -5.995 -2.602 9.649 1.00 0.00 C ATOM 1788 O HIS A 114 -5.875 -3.637 10.299 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.597 -2.918 7.261 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.962 -2.311 7.470 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.225 -1.013 7.125 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.135 -2.858 7.887 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.516 -0.780 7.322 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -10.091 -1.883 7.781 1.00 0.00 N ATOM 0 H HIS A 114 -4.516 -4.317 8.748 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.152 -1.526 8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.259 -2.649 6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.705 -4.002 7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.284 -3.869 8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.018 0.158 7.138 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.078 -1.988 8.015 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.570 -1.481 10.133 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.250 -1.475 11.394 1.00 0.00 C ATOM 1805 C LEU A 115 -8.689 -1.303 11.080 1.00 0.00 C ATOM 1806 O LEU A 115 -9.079 -0.363 10.388 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.860 -0.321 12.330 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.724 -0.738 13.812 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.134 0.373 14.656 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.920 -1.412 14.471 1.00 0.00 C ATOM 0 H LEU A 115 -6.563 -0.582 9.651 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.991 -2.399 11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.914 0.103 11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.609 0.467 12.251 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.012 -1.562 13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.055 0.041 15.691 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.143 0.629 14.280 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.779 1.250 14.605 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.679 -1.647 15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.778 -0.741 14.441 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.160 -2.331 13.937 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.505 -2.218 11.628 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.926 -2.089 11.587 1.00 0.00 C ATOM 1824 C ASP A 116 -11.272 -1.409 12.872 1.00 0.00 C ATOM 1825 O ASP A 116 -11.020 -1.927 13.959 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.640 -3.442 11.480 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.138 -3.216 11.345 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.552 -2.483 10.407 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.892 -3.792 12.172 1.00 0.00 O ATOM 0 H ASP A 116 -9.175 -3.057 12.105 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.247 -1.532 10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.266 -3.995 10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.431 -4.046 12.363 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.850 -0.197 12.750 1.00 0.00 N ATOM 1835 CA GLN A 117 -12.009 0.747 13.823 1.00 0.00 C ATOM 1836 C GLN A 117 -13.435 0.652 14.310 1.00 0.00 C ATOM 1837 O GLN A 117 -14.046 1.670 14.635 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.883 2.202 13.296 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.597 2.539 12.511 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.375 2.768 13.407 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.245 2.823 12.906 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.610 2.928 14.739 1.00 0.00 N ATOM 0 H GLN A 117 -12.224 0.142 11.864 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.259 0.530 14.583 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.739 2.408 12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.952 2.880 14.146 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.381 1.727 11.817 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.771 3.433 11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.563 2.873 15.099 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.833 3.103 15.377 1.00 0.00 H new ATOM 1851 N SER A 118 -14.013 -0.572 14.358 1.00 0.00 N ATOM 1852 CA SER A 118 -15.403 -0.758 14.693 1.00 0.00 C ATOM 1853 C SER A 118 -15.546 -0.867 16.176 1.00 0.00 C ATOM 1854 O SER A 118 -16.621 -0.643 16.730 1.00 0.00 O ATOM 1855 CB SER A 118 -16.038 -2.018 14.081 1.00 0.00 C ATOM 1856 OG SER A 118 -15.445 -3.188 14.624 1.00 0.00 O ATOM 0 H SER A 118 -13.513 -1.439 14.163 1.00 0.00 H new ATOM 0 HA SER A 118 -15.920 0.109 14.281 1.00 0.00 H new ATOM 0 HB2 SER A 118 -17.110 -2.023 14.276 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.911 -2.007 12.999 1.00 0.00 H new ATOM 0 HG SER A 118 -14.852 -3.593 13.958 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.431 -1.211 16.845 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.333 -1.235 18.270 1.00 0.00 C ATOM 1864 C ILE A 119 -13.977 0.104 18.762 1.00 0.00 C ATOM 1865 O ILE A 119 -14.203 0.435 19.925 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.233 -2.123 18.772 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.089 -2.336 17.759 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.926 -3.405 19.179 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -10.950 -3.181 18.326 1.00 0.00 C ATOM 0 H ILE A 119 -13.567 -1.482 16.376 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.301 -1.593 18.620 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.710 -1.666 19.612 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.485 -2.820 16.866 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.698 -1.367 17.450 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.189 -4.112 19.559 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.659 -3.191 19.957 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.430 -3.836 18.314 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.173 -3.298 17.570 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.532 -2.687 19.203 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.331 -4.162 18.610 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.354 0.887 17.866 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.652 2.069 18.217 1.00 0.00 C ATOM 1883 C PHE A 120 -13.491 3.209 17.761 1.00 0.00 C ATOM 1884 O PHE A 120 -13.041 4.100 17.041 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.250 2.077 17.575 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.347 0.965 18.075 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.485 0.370 19.332 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.293 0.521 17.277 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.516 -0.473 19.832 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.371 -0.368 17.769 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.444 -0.837 19.056 1.00 0.00 C ATOM 0 H PHE A 120 -13.341 0.687 16.866 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.486 2.137 19.292 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.354 1.990 16.493 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.774 3.037 17.774 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.366 0.574 19.922 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.202 0.880 16.263 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.601 -0.849 20.841 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.570 -0.706 17.129 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.672 -1.481 19.451 1.00 0.00 H new