USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 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 66 LYS NZ :NH3+ 148:sc= 1.74 (180deg=-0.538) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 114 ASN :FLIP amide:sc= -0.857 F(o=-0.37,f=0.88) USER MOD Set 2.1: A 51 SER OG : rot -150:sc= -0.231 USER MOD Set 2.2: A 88 MET CE :methyl -170:sc= -1.06 (180deg=-1.4) USER MOD Single : A 10 TYR OH : rot 130:sc= 0.741 USER MOD Single : A 13 SER OG : rot 93:sc= 0.175 USER MOD Single : A 15 MET CE :methyl -166:sc= -3.71 (180deg=-5.53!) USER MOD Single : A 20 THR OG1 : rot -83:sc= 1.21 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.0705 (180deg=-0.445) USER MOD Single : A 36 CYS SG : rot 66:sc= -0.396 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 56:sc= 1.24 USER MOD Single : A 43 HIS : no HD1:sc= -0.0435 X(o=-0.044,f=-0.035) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.0752 (180deg=-0.316) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.198 F(o=-0.9,f=-0.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 67 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.79) USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.11) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 100:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 147:sc= -0.156 (180deg=-1.49!) USER MOD Single : A 80 SER OG : rot 78:sc= 1.12 USER MOD Single : A 82 SER OG : rot 108:sc= 1.27 USER MOD Single : A 89 GLN : amide:sc= 0.587 K(o=0.59,f=0.065) USER MOD Single : A 91 ASN : amide:sc= -0.948 X(o=-0.95,f=-1) USER MOD Single : A 92 SER OG : rot -86:sc= 1.23 USER MOD Single : A 97 ASN : amide:sc=-0.00568 K(o=-0.0057,f=-0.61) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 118:sc= 0.16 USER MOD Single : A 122 HIS : no HD1:sc= -0.463 X(o=-0.46,f=0.0016) USER MOD Single : A 124 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 10.215 14.940 2.733 1.00 0.00 N ATOM 93 CA TYR A 10 8.773 15.159 2.824 1.00 0.00 C ATOM 94 C TYR A 10 8.106 14.785 1.497 1.00 0.00 C ATOM 95 O TYR A 10 7.084 14.100 1.474 1.00 0.00 O ATOM 96 CB TYR A 10 8.514 16.631 3.173 1.00 0.00 C ATOM 97 CG TYR A 10 7.092 17.107 2.940 1.00 0.00 C ATOM 98 CD1 TYR A 10 6.130 17.011 3.961 1.00 0.00 C ATOM 99 CD2 TYR A 10 6.733 17.651 1.690 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.818 17.470 3.748 1.00 0.00 C ATOM 101 CE2 TYR A 10 5.422 18.091 1.457 1.00 0.00 C ATOM 102 CZ TYR A 10 4.461 18.001 2.487 1.00 0.00 C ATOM 103 OH TYR A 10 3.198 18.430 2.235 1.00 0.00 O ATOM 0 HA TYR A 10 8.347 14.530 3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.767 16.790 4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.190 17.252 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.400 16.582 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.472 17.729 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.088 17.417 4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.149 18.497 0.494 1.00 0.00 H new ATOM 0 HH TYR A 10 3.229 19.329 1.846 1.00 0.00 H new ATOM 113 N TRP A 11 8.692 15.175 0.357 1.00 0.00 N ATOM 114 CA TRP A 11 8.082 14.894 -0.938 1.00 0.00 C ATOM 115 C TRP A 11 8.020 13.391 -1.260 1.00 0.00 C ATOM 116 O TRP A 11 7.239 12.962 -2.107 1.00 0.00 O ATOM 117 CB TRP A 11 8.729 15.726 -2.051 1.00 0.00 C ATOM 118 CG TRP A 11 7.721 16.225 -3.039 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.050 17.395 -2.946 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.216 15.570 -4.239 1.00 0.00 C ATOM 121 NE1 TRP A 11 6.160 17.506 -3.995 1.00 0.00 N ATOM 122 CE2 TRP A 11 6.218 16.404 -4.824 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.497 14.350 -4.887 1.00 0.00 C ATOM 124 CZ2 TRP A 11 5.537 16.045 -5.998 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.835 13.987 -6.073 1.00 0.00 C ATOM 126 CH2 TRP A 11 5.861 14.834 -6.631 1.00 0.00 C ATOM 0 H TRP A 11 9.577 15.680 0.310 1.00 0.00 H new ATOM 0 HA TRP A 11 7.040 15.209 -0.876 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.255 16.573 -1.611 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.475 15.122 -2.568 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.189 18.131 -2.168 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.538 18.302 -4.139 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.234 13.682 -4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.775 16.691 -6.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.076 13.053 -6.558 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.362 14.553 -7.547 1.00 0.00 H new ATOM 137 N ARG A 12 8.783 12.552 -0.553 1.00 0.00 N ATOM 138 CA ARG A 12 8.662 11.099 -0.638 1.00 0.00 C ATOM 139 C ARG A 12 7.249 10.662 -0.183 1.00 0.00 C ATOM 140 O ARG A 12 6.771 9.635 -0.658 1.00 0.00 O ATOM 141 CB ARG A 12 9.805 10.473 0.197 1.00 0.00 C ATOM 142 CG ARG A 12 10.486 9.196 -0.320 1.00 0.00 C ATOM 143 CD ARG A 12 11.527 9.355 -1.455 1.00 0.00 C ATOM 144 NE ARG A 12 12.799 10.035 -1.092 1.00 0.00 N ATOM 145 CZ ARG A 12 13.966 9.927 -1.768 1.00 0.00 C ATOM 146 NH1 ARG A 12 14.058 9.147 -2.845 1.00 0.00 N ATOM 147 NH2 ARG A 12 15.048 10.587 -1.373 1.00 0.00 N ATOM 0 H ARG A 12 9.504 12.866 0.096 1.00 0.00 H new ATOM 0 HA ARG A 12 8.768 10.745 -1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.577 11.232 0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.409 10.257 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.978 8.711 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.708 8.517 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.767 8.364 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.063 9.910 -2.270 1.00 0.00 H new ATOM 0 HE ARG A 12 12.791 10.632 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.244 8.624 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.943 9.073 -3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.007 11.186 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.920 10.495 -1.894 1.00 0.00 H new ATOM 161 N SER A 13 6.555 11.421 0.683 1.00 0.00 N ATOM 162 CA SER A 13 5.182 11.144 1.108 1.00 0.00 C ATOM 163 C SER A 13 4.223 11.465 -0.025 1.00 0.00 C ATOM 164 O SER A 13 3.296 10.707 -0.309 1.00 0.00 O ATOM 165 CB SER A 13 4.855 12.016 2.329 1.00 0.00 C ATOM 166 OG SER A 13 3.582 11.739 2.882 1.00 0.00 O ATOM 0 H SER A 13 6.945 12.260 1.113 1.00 0.00 H new ATOM 0 HA SER A 13 5.080 10.091 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.618 11.863 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.899 13.066 2.041 1.00 0.00 H new ATOM 0 HG SER A 13 3.673 11.071 3.593 1.00 0.00 H new ATOM 172 N ARG A 14 4.458 12.591 -0.700 1.00 0.00 N ATOM 173 CA ARG A 14 3.586 13.147 -1.727 1.00 0.00 C ATOM 174 C ARG A 14 3.392 12.207 -2.905 1.00 0.00 C ATOM 175 O ARG A 14 2.453 12.389 -3.677 1.00 0.00 O ATOM 176 CB ARG A 14 4.174 14.476 -2.216 1.00 0.00 C ATOM 177 CG ARG A 14 4.369 15.500 -1.084 1.00 0.00 C ATOM 178 CD ARG A 14 3.067 15.905 -0.400 1.00 0.00 C ATOM 179 NE ARG A 14 2.180 16.594 -1.354 1.00 0.00 N ATOM 180 CZ ARG A 14 1.532 17.753 -1.215 1.00 0.00 C ATOM 181 NH1 ARG A 14 1.593 18.477 -0.107 1.00 0.00 N ATOM 182 NH2 ARG A 14 0.822 18.200 -2.236 1.00 0.00 N ATOM 0 H ARG A 14 5.290 13.158 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 14 2.604 13.300 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.134 14.287 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.516 14.901 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.047 15.082 -0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.850 16.390 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.568 15.022 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.281 16.559 0.446 1.00 0.00 H new ATOM 0 HE ARG A 14 2.042 16.119 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.152 18.154 0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.081 19.357 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.779 17.662 -3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.317 19.083 -2.158 1.00 0.00 H new ATOM 196 N MET A 15 4.257 11.210 -3.064 1.00 0.00 N ATOM 197 CA MET A 15 4.088 10.222 -4.111 1.00 0.00 C ATOM 198 C MET A 15 2.990 9.240 -3.724 1.00 0.00 C ATOM 199 O MET A 15 2.142 8.917 -4.550 1.00 0.00 O ATOM 200 CB MET A 15 5.404 9.490 -4.357 1.00 0.00 C ATOM 201 CG MET A 15 6.598 10.441 -4.559 1.00 0.00 C ATOM 202 SD MET A 15 7.698 10.039 -5.939 1.00 0.00 S ATOM 203 CE MET A 15 7.824 8.246 -5.726 1.00 0.00 C ATOM 0 H MET A 15 5.080 11.069 -2.479 1.00 0.00 H new ATOM 0 HA MET A 15 3.796 10.723 -5.034 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.610 8.833 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.300 8.855 -5.237 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.214 11.450 -4.707 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.187 10.455 -3.642 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.650 7.865 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.004 8.016 -4.676 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.895 7.775 -6.046 1.00 0.00 H new ATOM 213 N ILE A 16 3.005 8.768 -2.473 1.00 0.00 N ATOM 214 CA ILE A 16 1.958 7.909 -1.927 1.00 0.00 C ATOM 215 C ILE A 16 0.652 8.702 -1.954 1.00 0.00 C ATOM 216 O ILE A 16 -0.398 8.216 -2.379 1.00 0.00 O ATOM 217 CB ILE A 16 2.305 7.466 -0.479 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.743 6.913 -0.281 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.264 6.439 0.016 1.00 0.00 C ATOM 220 CD1 ILE A 16 4.190 5.919 -1.349 1.00 0.00 C ATOM 0 H ILE A 16 3.751 8.975 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 16 1.863 7.002 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 16 2.270 8.376 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.442 7.749 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.802 6.430 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.511 6.131 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.273 6.892 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.272 5.568 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.205 5.584 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.518 5.061 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.167 6.401 -2.327 1.00 0.00 H new ATOM 232 N ASP A 17 0.735 9.951 -1.506 1.00 0.00 N ATOM 233 CA ASP A 17 -0.397 10.834 -1.306 1.00 0.00 C ATOM 234 C ASP A 17 -1.174 11.032 -2.602 1.00 0.00 C ATOM 235 O ASP A 17 -2.387 10.846 -2.633 1.00 0.00 O ATOM 236 CB ASP A 17 0.115 12.165 -0.761 1.00 0.00 C ATOM 237 CG ASP A 17 -0.945 12.807 0.106 1.00 0.00 C ATOM 238 OD1 ASP A 17 -1.175 12.242 1.202 1.00 0.00 O ATOM 239 OD2 ASP A 17 -1.395 13.923 -0.226 1.00 0.00 O ATOM 0 H ASP A 17 1.626 10.386 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.086 10.388 -0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.024 12.005 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.375 12.830 -1.585 1.00 0.00 H new ATOM 244 N ALA A 18 -0.461 11.328 -3.692 1.00 0.00 N ATOM 245 CA ALA A 18 -1.028 11.654 -4.994 1.00 0.00 C ATOM 246 C ALA A 18 -1.826 10.515 -5.631 1.00 0.00 C ATOM 247 O ALA A 18 -2.635 10.765 -6.528 1.00 0.00 O ATOM 248 CB ALA A 18 0.114 12.054 -5.927 1.00 0.00 C ATOM 0 H ALA A 18 0.559 11.347 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.736 12.468 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.289 12.303 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.632 12.921 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.814 11.224 -6.021 1.00 0.00 H new ATOM 254 N VAL A 19 -1.619 9.273 -5.194 1.00 0.00 N ATOM 255 CA VAL A 19 -2.356 8.111 -5.683 1.00 0.00 C ATOM 256 C VAL A 19 -3.387 7.651 -4.649 1.00 0.00 C ATOM 257 O VAL A 19 -4.112 6.685 -4.894 1.00 0.00 O ATOM 258 CB VAL A 19 -1.378 7.018 -6.166 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.535 7.550 -7.330 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.428 6.499 -5.081 1.00 0.00 C ATOM 0 H VAL A 19 -0.926 9.044 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.942 8.379 -6.562 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.005 6.181 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.153 6.774 -7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.190 7.835 -8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.033 8.420 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.224 5.735 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.177 7.323 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.008 6.069 -4.264 1.00 0.00 H new ATOM 270 N THR A 20 -3.502 8.335 -3.509 1.00 0.00 N ATOM 271 CA THR A 20 -4.398 7.996 -2.412 1.00 0.00 C ATOM 272 C THR A 20 -5.344 9.155 -2.073 1.00 0.00 C ATOM 273 O THR A 20 -6.004 9.123 -1.034 1.00 0.00 O ATOM 274 CB THR A 20 -3.601 7.447 -1.217 1.00 0.00 C ATOM 275 OG1 THR A 20 -2.596 8.336 -0.789 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.919 6.113 -1.528 1.00 0.00 C ATOM 0 H THR A 20 -2.950 9.172 -3.322 1.00 0.00 H new ATOM 0 HA THR A 20 -5.059 7.188 -2.725 1.00 0.00 H new ATOM 0 HB THR A 20 -4.345 7.312 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.797 8.219 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.371 5.771 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.673 5.373 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.227 6.243 -2.360 1.00 0.00 H new ATOM 284 N SER A 21 -5.491 10.140 -2.964 1.00 0.00 N ATOM 285 CA SER A 21 -6.414 11.265 -2.849 1.00 0.00 C ATOM 286 C SER A 21 -7.872 10.820 -3.093 1.00 0.00 C ATOM 287 O SER A 21 -8.508 11.326 -4.014 1.00 0.00 O ATOM 288 CB SER A 21 -5.968 12.375 -3.826 1.00 0.00 C ATOM 289 OG SER A 21 -4.560 12.530 -3.849 1.00 0.00 O ATOM 0 H SER A 21 -4.943 10.173 -3.824 1.00 0.00 H new ATOM 0 HA SER A 21 -6.387 11.662 -1.834 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.323 12.138 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.432 13.319 -3.538 1.00 0.00 H new ATOM 0 HG SER A 21 -4.319 13.240 -4.480 1.00 0.00 H new ATOM 295 N ASP A 22 -8.357 9.846 -2.306 1.00 0.00 N ATOM 296 CA ASP A 22 -9.744 9.456 -2.008 1.00 0.00 C ATOM 297 C ASP A 22 -10.795 10.096 -2.923 1.00 0.00 C ATOM 298 O ASP A 22 -11.344 11.159 -2.633 1.00 0.00 O ATOM 299 CB ASP A 22 -10.057 9.634 -0.518 1.00 0.00 C ATOM 300 CG ASP A 22 -9.989 11.055 0.035 1.00 0.00 C ATOM 301 OD1 ASP A 22 -8.934 11.711 -0.125 1.00 0.00 O ATOM 302 OD2 ASP A 22 -10.890 11.404 0.834 1.00 0.00 O ATOM 0 H ASP A 22 -7.707 9.241 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.815 8.393 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.058 9.245 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.364 9.015 0.051 1.00 0.00 H new ATOM 307 N GLU A 23 -10.990 9.441 -4.068 1.00 0.00 N ATOM 308 CA GLU A 23 -11.749 9.849 -5.235 1.00 0.00 C ATOM 309 C GLU A 23 -12.097 8.622 -6.053 1.00 0.00 C ATOM 310 O GLU A 23 -11.345 7.641 -6.092 1.00 0.00 O ATOM 311 CB GLU A 23 -10.900 10.738 -6.151 1.00 0.00 C ATOM 312 CG GLU A 23 -11.183 12.201 -5.871 1.00 0.00 C ATOM 313 CD GLU A 23 -12.580 12.634 -6.336 1.00 0.00 C ATOM 314 OE1 GLU A 23 -13.265 11.887 -7.078 1.00 0.00 O ATOM 315 OE2 GLU A 23 -12.955 13.780 -6.015 1.00 0.00 O ATOM 0 H GLU A 23 -10.575 8.520 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.634 10.383 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.842 10.528 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.119 10.511 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.087 12.387 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.432 12.814 -6.370 1.00 0.00 H new ATOM 322 N ASP A 24 -13.214 8.722 -6.753 1.00 0.00 N ATOM 323 CA ASP A 24 -13.787 7.669 -7.572 1.00 0.00 C ATOM 324 C ASP A 24 -12.850 7.279 -8.706 1.00 0.00 C ATOM 325 O ASP A 24 -12.700 6.089 -9.002 1.00 0.00 O ATOM 326 CB ASP A 24 -15.117 8.167 -8.129 1.00 0.00 C ATOM 327 CG ASP A 24 -16.245 7.891 -7.157 1.00 0.00 C ATOM 328 OD1 ASP A 24 -16.089 8.169 -5.947 1.00 0.00 O ATOM 329 OD2 ASP A 24 -17.230 7.249 -7.588 1.00 0.00 O ATOM 0 H ASP A 24 -13.770 9.577 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.942 6.780 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.055 9.237 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.324 7.678 -9.081 1.00 0.00 H new ATOM 334 N LYS A 25 -12.177 8.273 -9.298 1.00 0.00 N ATOM 335 CA LYS A 25 -11.124 8.056 -10.276 1.00 0.00 C ATOM 336 C LYS A 25 -10.076 7.132 -9.667 1.00 0.00 C ATOM 337 O LYS A 25 -9.467 7.420 -8.633 1.00 0.00 O ATOM 338 CB LYS A 25 -10.541 9.395 -10.764 1.00 0.00 C ATOM 339 CG LYS A 25 -9.574 10.059 -9.772 1.00 0.00 C ATOM 340 CD LYS A 25 -9.466 11.572 -9.949 1.00 0.00 C ATOM 341 CE LYS A 25 -8.795 11.907 -11.281 1.00 0.00 C ATOM 342 NZ LYS A 25 -8.856 13.355 -11.549 1.00 0.00 N ATOM 0 H LYS A 25 -12.356 9.258 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.526 7.570 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.020 9.229 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.362 10.082 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.903 9.842 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.585 9.616 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.459 12.020 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.892 12.000 -9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.755 11.580 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.286 11.362 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.395 13.559 -12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.850 13.659 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.367 13.870 -10.789 1.00 0.00 H new ATOM 356 N VAL A 26 -9.830 6.010 -10.314 1.00 0.00 N ATOM 357 CA VAL A 26 -8.717 5.161 -9.935 1.00 0.00 C ATOM 358 C VAL A 26 -7.418 5.879 -10.349 1.00 0.00 C ATOM 359 O VAL A 26 -7.431 6.716 -11.264 1.00 0.00 O ATOM 360 CB VAL A 26 -8.920 3.764 -10.546 1.00 0.00 C ATOM 361 CG1 VAL A 26 -10.240 3.130 -10.078 1.00 0.00 C ATOM 362 CG2 VAL A 26 -8.893 3.752 -12.077 1.00 0.00 C ATOM 0 H VAL A 26 -10.382 5.666 -11.100 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.652 4.995 -8.860 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.072 3.180 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.350 2.144 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.232 3.033 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.075 3.763 -10.380 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.043 2.734 -12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.688 4.392 -12.460 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.929 4.122 -12.427 1.00 0.00 H new ATOM 372 N ALA A 27 -6.298 5.609 -9.675 1.00 0.00 N ATOM 373 CA ALA A 27 -5.019 6.195 -10.075 1.00 0.00 C ATOM 374 C ALA A 27 -4.466 5.447 -11.300 1.00 0.00 C ATOM 375 O ALA A 27 -4.738 4.245 -11.445 1.00 0.00 O ATOM 376 CB ALA A 27 -4.032 6.145 -8.907 1.00 0.00 C ATOM 0 H ALA A 27 -6.251 4.997 -8.861 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.167 7.240 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.082 6.583 -9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.436 6.707 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.873 5.109 -8.609 1.00 0.00 H new ATOM 382 N PRO A 28 -3.671 6.106 -12.159 1.00 0.00 N ATOM 383 CA PRO A 28 -2.991 5.453 -13.266 1.00 0.00 C ATOM 384 C PRO A 28 -1.815 4.617 -12.772 1.00 0.00 C ATOM 385 O PRO A 28 -1.231 4.911 -11.728 1.00 0.00 O ATOM 386 CB PRO A 28 -2.470 6.573 -14.154 1.00 0.00 C ATOM 387 CG PRO A 28 -2.205 7.680 -13.149 1.00 0.00 C ATOM 388 CD PRO A 28 -3.288 7.509 -12.099 1.00 0.00 C ATOM 0 HA PRO A 28 -3.670 4.783 -13.793 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.565 6.282 -14.688 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.201 6.871 -14.905 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.211 7.589 -12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.259 8.663 -13.618 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.919 7.773 -11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.140 8.157 -12.305 1.00 0.00 H new ATOM 396 N VAL A 29 -1.401 3.631 -13.566 1.00 0.00 N ATOM 397 CA VAL A 29 -0.255 2.797 -13.233 1.00 0.00 C ATOM 398 C VAL A 29 1.031 3.633 -13.176 1.00 0.00 C ATOM 399 O VAL A 29 1.806 3.440 -12.238 1.00 0.00 O ATOM 400 CB VAL A 29 -0.173 1.583 -14.182 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.997 0.660 -13.820 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.478 0.763 -14.130 1.00 0.00 C ATOM 0 H VAL A 29 -1.849 3.392 -14.451 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.384 2.386 -12.232 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.018 1.977 -15.186 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.022 -0.183 -14.510 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.933 1.214 -13.890 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.869 0.292 -12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.400 -0.088 -14.806 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.643 0.405 -13.114 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.315 1.392 -14.434 1.00 0.00 H new ATOM 412 N TYR A 30 1.228 4.602 -14.083 1.00 0.00 N ATOM 413 CA TYR A 30 2.490 5.345 -14.148 1.00 0.00 C ATOM 414 C TYR A 30 2.775 6.145 -12.873 1.00 0.00 C ATOM 415 O TYR A 30 3.931 6.438 -12.568 1.00 0.00 O ATOM 416 CB TYR A 30 2.546 6.260 -15.386 1.00 0.00 C ATOM 417 CG TYR A 30 1.686 7.511 -15.323 1.00 0.00 C ATOM 418 CD1 TYR A 30 2.186 8.684 -14.727 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.387 7.510 -15.864 1.00 0.00 C ATOM 420 CE1 TYR A 30 1.384 9.835 -14.637 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.428 8.655 -15.768 1.00 0.00 C ATOM 422 CZ TYR A 30 0.067 9.823 -15.145 1.00 0.00 C ATOM 423 OH TYR A 30 -0.715 10.931 -15.027 1.00 0.00 O ATOM 0 H TYR A 30 0.534 4.886 -14.775 1.00 0.00 H new ATOM 0 HA TYR A 30 3.276 4.595 -14.238 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.581 6.561 -15.545 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.246 5.679 -16.258 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.193 8.700 -14.336 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.012 6.625 -16.356 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.776 10.731 -14.178 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.430 8.640 -16.170 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.592 10.757 -15.429 1.00 0.00 H new ATOM 433 N LYS A 31 1.732 6.509 -12.115 1.00 0.00 N ATOM 434 CA LYS A 31 1.909 7.209 -10.851 1.00 0.00 C ATOM 435 C LYS A 31 2.271 6.264 -9.717 1.00 0.00 C ATOM 436 O LYS A 31 2.830 6.740 -8.735 1.00 0.00 O ATOM 437 CB LYS A 31 0.647 7.996 -10.474 1.00 0.00 C ATOM 438 CG LYS A 31 0.456 9.221 -11.365 1.00 0.00 C ATOM 439 CD LYS A 31 -0.574 10.193 -10.788 1.00 0.00 C ATOM 440 CE LYS A 31 -0.584 11.491 -11.605 1.00 0.00 C ATOM 441 NZ LYS A 31 0.699 12.225 -11.501 1.00 0.00 N ATOM 0 H LYS A 31 0.759 6.327 -12.362 1.00 0.00 H new ATOM 0 HA LYS A 31 2.738 7.902 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.225 7.347 -10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.712 8.311 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.410 9.734 -11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.137 8.902 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.564 9.737 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.338 10.411 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.785 11.259 -12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.396 12.130 -11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.552 13.220 -11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.049 12.175 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.397 11.796 -12.141 1.00 0.00 H new ATOM 455 N LEU A 32 1.916 4.978 -9.805 1.00 0.00 N ATOM 456 CA LEU A 32 2.183 3.973 -8.786 1.00 0.00 C ATOM 457 C LEU A 32 3.594 3.424 -8.963 1.00 0.00 C ATOM 458 O LEU A 32 4.300 3.180 -7.986 1.00 0.00 O ATOM 459 CB LEU A 32 1.208 2.793 -8.935 1.00 0.00 C ATOM 460 CG LEU A 32 -0.287 3.136 -8.942 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.075 1.915 -9.409 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.813 3.570 -7.575 1.00 0.00 C ATOM 0 H LEU A 32 1.420 4.603 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 32 2.067 4.441 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.443 2.272 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.393 2.093 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.417 3.980 -9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.139 2.150 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.757 1.639 -10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.892 1.082 -8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.876 3.798 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.664 2.765 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.274 4.457 -7.243 1.00 0.00 H new ATOM 474 N GLU A 33 3.986 3.185 -10.215 1.00 0.00 N ATOM 475 CA GLU A 33 5.219 2.490 -10.557 1.00 0.00 C ATOM 476 C GLU A 33 6.452 3.270 -10.086 1.00 0.00 C ATOM 477 O GLU A 33 7.485 2.683 -9.768 1.00 0.00 O ATOM 478 CB GLU A 33 5.230 2.233 -12.068 1.00 0.00 C ATOM 479 CG GLU A 33 5.821 3.370 -12.913 1.00 0.00 C ATOM 480 CD GLU A 33 5.736 3.075 -14.404 1.00 0.00 C ATOM 481 OE1 GLU A 33 6.012 1.924 -14.818 1.00 0.00 O ATOM 482 OE2 GLU A 33 5.425 4.002 -15.184 1.00 0.00 O ATOM 0 H GLU A 33 3.445 3.475 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 33 5.260 1.532 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.797 1.323 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.208 2.048 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.290 4.297 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.863 3.526 -12.633 1.00 0.00 H new ATOM 489 N GLU A 34 6.304 4.590 -10.012 1.00 0.00 N ATOM 490 CA GLU A 34 7.297 5.560 -9.587 1.00 0.00 C ATOM 491 C GLU A 34 7.702 5.340 -8.119 1.00 0.00 C ATOM 492 O GLU A 34 8.858 5.549 -7.753 1.00 0.00 O ATOM 493 CB GLU A 34 6.680 6.943 -9.875 1.00 0.00 C ATOM 494 CG GLU A 34 7.378 8.115 -9.188 1.00 0.00 C ATOM 495 CD GLU A 34 7.065 9.454 -9.859 1.00 0.00 C ATOM 496 OE1 GLU A 34 7.800 9.864 -10.789 1.00 0.00 O ATOM 497 OE2 GLU A 34 6.137 10.162 -9.409 1.00 0.00 O ATOM 0 H GLU A 34 5.423 5.037 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 34 8.237 5.462 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.692 7.113 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.635 6.930 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.071 8.155 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.455 7.949 -9.198 1.00 0.00 H new ATOM 504 N ILE A 35 6.781 4.890 -7.262 1.00 0.00 N ATOM 505 CA ILE A 35 7.080 4.594 -5.861 1.00 0.00 C ATOM 506 C ILE A 35 7.976 3.352 -5.794 1.00 0.00 C ATOM 507 O ILE A 35 8.927 3.311 -5.010 1.00 0.00 O ATOM 508 CB ILE A 35 5.765 4.416 -5.064 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.974 5.735 -4.914 1.00 0.00 C ATOM 510 CG2 ILE A 35 6.019 3.870 -3.647 1.00 0.00 C ATOM 511 CD1 ILE A 35 4.250 6.238 -6.160 1.00 0.00 C ATOM 0 H ILE A 35 5.809 4.721 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 35 7.619 5.424 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 35 5.182 3.703 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.238 5.604 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.664 6.511 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.069 3.761 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.510 2.899 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.658 4.563 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.732 7.169 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.974 6.413 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.526 5.491 -6.486 1.00 0.00 H new ATOM 523 N CYS A 36 7.650 2.342 -6.606 1.00 0.00 N ATOM 524 CA CYS A 36 8.400 1.100 -6.722 1.00 0.00 C ATOM 525 C CYS A 36 9.845 1.416 -7.096 1.00 0.00 C ATOM 526 O CYS A 36 10.775 0.908 -6.467 1.00 0.00 O ATOM 527 CB CYS A 36 7.765 0.193 -7.786 1.00 0.00 C ATOM 528 SG CYS A 36 5.950 0.097 -7.649 1.00 0.00 S ATOM 0 H CYS A 36 6.833 2.372 -7.216 1.00 0.00 H new ATOM 0 HA CYS A 36 8.380 0.577 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.030 0.563 -8.776 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.184 -0.809 -7.698 1.00 0.00 H new ATOM 0 HG CYS A 36 5.433 1.261 -7.911 1.00 0.00 H new ATOM 534 N ASP A 37 9.995 2.280 -8.104 1.00 0.00 N ATOM 535 CA ASP A 37 11.270 2.745 -8.626 1.00 0.00 C ATOM 536 C ASP A 37 12.116 3.348 -7.514 1.00 0.00 C ATOM 537 O ASP A 37 13.278 2.975 -7.346 1.00 0.00 O ATOM 538 CB ASP A 37 11.035 3.778 -9.735 1.00 0.00 C ATOM 539 CG ASP A 37 12.246 3.848 -10.653 1.00 0.00 C ATOM 540 OD1 ASP A 37 13.341 4.283 -10.233 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.110 3.366 -11.802 1.00 0.00 O ATOM 0 H ASP A 37 9.197 2.686 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 37 11.808 1.893 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.149 3.510 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.846 4.757 -9.296 1.00 0.00 H new ATOM 546 N LEU A 38 11.522 4.241 -6.711 1.00 0.00 N ATOM 547 CA LEU A 38 12.262 4.901 -5.656 1.00 0.00 C ATOM 548 C LEU A 38 12.771 3.910 -4.634 1.00 0.00 C ATOM 549 O LEU A 38 13.961 3.925 -4.351 1.00 0.00 O ATOM 550 CB LEU A 38 11.493 6.011 -4.962 1.00 0.00 C ATOM 551 CG LEU A 38 11.355 7.251 -5.852 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.982 8.501 -5.047 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.561 7.664 -6.691 1.00 0.00 C ATOM 0 H LEU A 38 10.541 4.513 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 38 13.107 5.373 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.502 5.649 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.002 6.282 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 38 10.575 6.912 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.895 9.354 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.030 8.338 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.756 8.701 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.315 8.556 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.405 7.877 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.826 6.854 -7.371 1.00 0.00 H new ATOM 565 N LEU A 39 11.908 3.077 -4.049 1.00 0.00 N ATOM 566 CA LEU A 39 12.322 2.145 -2.997 1.00 0.00 C ATOM 567 C LEU A 39 13.411 1.196 -3.506 1.00 0.00 C ATOM 568 O LEU A 39 14.364 0.901 -2.781 1.00 0.00 O ATOM 569 CB LEU A 39 11.119 1.339 -2.511 1.00 0.00 C ATOM 570 CG LEU A 39 10.061 2.145 -1.758 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.655 1.585 -1.950 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.406 2.086 -0.284 1.00 0.00 C ATOM 0 H LEU A 39 10.917 3.028 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 39 12.729 2.724 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.648 0.864 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.475 0.540 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 39 10.063 3.164 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.942 2.194 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.398 1.601 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.619 0.559 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.669 2.653 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.402 1.048 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.395 2.515 -0.124 1.00 0.00 H new ATOM 584 N ARG A 40 13.322 0.768 -4.772 1.00 0.00 N ATOM 585 CA ARG A 40 14.369 -0.011 -5.435 1.00 0.00 C ATOM 586 C ARG A 40 15.716 0.711 -5.510 1.00 0.00 C ATOM 587 O ARG A 40 16.736 0.060 -5.742 1.00 0.00 O ATOM 588 CB ARG A 40 13.916 -0.352 -6.862 1.00 0.00 C ATOM 589 CG ARG A 40 13.149 -1.682 -6.923 1.00 0.00 C ATOM 590 CD ARG A 40 13.063 -2.276 -8.339 1.00 0.00 C ATOM 591 NE ARG A 40 14.378 -2.302 -8.987 1.00 0.00 N ATOM 592 CZ ARG A 40 15.470 -2.888 -8.485 1.00 0.00 C ATOM 593 NH1 ARG A 40 15.392 -4.032 -7.808 1.00 0.00 N ATOM 594 NH2 ARG A 40 16.640 -2.288 -8.635 1.00 0.00 N ATOM 0 H ARG A 40 12.515 0.955 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 40 14.518 -0.907 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.282 0.449 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.787 -0.406 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.634 -2.402 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.140 -1.528 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.661 -3.288 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.370 -1.688 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 40 14.467 -1.837 -9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.486 -4.479 -7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.238 -4.462 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.696 -1.396 -9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.485 -2.718 -8.260 1.00 0.00 H new ATOM 608 N SER A 41 15.727 2.025 -5.319 1.00 0.00 N ATOM 609 CA SER A 41 16.855 2.915 -5.479 1.00 0.00 C ATOM 610 C SER A 41 17.197 3.652 -4.173 1.00 0.00 C ATOM 611 O SER A 41 18.032 4.560 -4.209 1.00 0.00 O ATOM 612 CB SER A 41 16.518 3.878 -6.634 1.00 0.00 C ATOM 613 OG SER A 41 17.694 4.253 -7.330 1.00 0.00 O ATOM 0 H SER A 41 14.886 2.524 -5.028 1.00 0.00 H new ATOM 0 HA SER A 41 17.754 2.349 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.819 3.400 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.022 4.766 -6.241 1.00 0.00 H new ATOM 0 HG SER A 41 17.461 4.863 -8.061 1.00 0.00 H new ATOM 619 N SER A 42 16.581 3.316 -3.032 1.00 0.00 N ATOM 620 CA SER A 42 16.661 4.126 -1.818 1.00 0.00 C ATOM 621 C SER A 42 17.121 3.317 -0.599 1.00 0.00 C ATOM 622 O SER A 42 16.801 2.130 -0.467 1.00 0.00 O ATOM 623 CB SER A 42 15.288 4.743 -1.550 1.00 0.00 C ATOM 624 OG SER A 42 14.841 5.589 -2.588 1.00 0.00 O ATOM 0 H SER A 42 16.014 2.474 -2.929 1.00 0.00 H new ATOM 0 HA SER A 42 17.409 4.903 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.561 3.944 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.328 5.311 -0.620 1.00 0.00 H new ATOM 0 HG SER A 42 14.846 5.097 -3.436 1.00 0.00 H new ATOM 630 N HIS A 43 17.808 3.990 0.331 1.00 0.00 N ATOM 631 CA HIS A 43 18.296 3.431 1.588 1.00 0.00 C ATOM 632 C HIS A 43 17.135 2.917 2.447 1.00 0.00 C ATOM 633 O HIS A 43 16.002 3.385 2.324 1.00 0.00 O ATOM 634 CB HIS A 43 19.124 4.493 2.346 1.00 0.00 C ATOM 635 CG HIS A 43 19.998 3.929 3.444 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.882 4.155 4.802 1.00 0.00 N ATOM 637 CD2 HIS A 43 21.106 3.150 3.249 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.876 3.487 5.413 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.642 2.853 4.508 1.00 0.00 N ATOM 0 H HIS A 43 18.046 4.976 0.221 1.00 0.00 H new ATOM 0 HA HIS A 43 18.940 2.580 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.754 5.024 1.632 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.444 5.227 2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.496 2.823 2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 43 21.037 3.463 6.481 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.456 2.269 4.701 1.00 0.00 H new ATOM 647 N VAL A 44 17.427 2.013 3.383 1.00 0.00 N ATOM 648 CA VAL A 44 16.443 1.428 4.294 1.00 0.00 C ATOM 649 C VAL A 44 15.671 2.502 5.082 1.00 0.00 C ATOM 650 O VAL A 44 14.466 2.373 5.259 1.00 0.00 O ATOM 651 CB VAL A 44 17.134 0.360 5.171 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.300 0.912 6.004 1.00 0.00 C ATOM 653 CG2 VAL A 44 16.146 -0.388 6.074 1.00 0.00 C ATOM 0 H VAL A 44 18.372 1.660 3.532 1.00 0.00 H new ATOM 0 HA VAL A 44 15.668 0.919 3.721 1.00 0.00 H new ATOM 0 HB VAL A 44 17.554 -0.351 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.738 0.108 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 44 19.057 1.328 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.934 1.693 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.684 -1.126 6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.651 0.321 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.400 -0.891 5.459 1.00 0.00 H new ATOM 663 N SER A 45 16.309 3.603 5.479 1.00 0.00 N ATOM 664 CA SER A 45 15.623 4.679 6.191 1.00 0.00 C ATOM 665 C SER A 45 14.544 5.349 5.317 1.00 0.00 C ATOM 666 O SER A 45 13.547 5.865 5.827 1.00 0.00 O ATOM 667 CB SER A 45 16.691 5.665 6.670 1.00 0.00 C ATOM 668 OG SER A 45 16.223 6.474 7.720 1.00 0.00 O ATOM 0 H SER A 45 17.302 3.773 5.319 1.00 0.00 H new ATOM 0 HA SER A 45 15.081 4.282 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.572 5.114 7.001 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.003 6.295 5.837 1.00 0.00 H new ATOM 0 HG SER A 45 16.933 7.089 8.000 1.00 0.00 H new ATOM 674 N ILE A 46 14.721 5.342 3.991 1.00 0.00 N ATOM 675 CA ILE A 46 13.737 5.842 3.041 1.00 0.00 C ATOM 676 C ILE A 46 12.603 4.825 2.930 1.00 0.00 C ATOM 677 O ILE A 46 11.449 5.241 2.915 1.00 0.00 O ATOM 678 CB ILE A 46 14.360 6.093 1.650 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.771 6.725 1.663 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.411 6.937 0.777 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.828 8.132 2.243 1.00 0.00 C ATOM 0 H ILE A 46 15.566 4.982 3.547 1.00 0.00 H new ATOM 0 HA ILE A 46 13.357 6.797 3.403 1.00 0.00 H new ATOM 0 HB ILE A 46 14.493 5.100 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.438 6.082 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.153 6.751 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.866 7.104 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.466 6.409 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.228 7.896 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.855 8.497 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.190 8.793 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.480 8.114 3.276 1.00 0.00 H new ATOM 693 N VAL A 47 12.914 3.519 2.870 1.00 0.00 N ATOM 694 CA VAL A 47 11.912 2.451 2.883 1.00 0.00 C ATOM 695 C VAL A 47 10.993 2.658 4.083 1.00 0.00 C ATOM 696 O VAL A 47 9.783 2.562 3.931 1.00 0.00 O ATOM 697 CB VAL A 47 12.552 1.048 2.970 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.498 -0.066 3.045 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.444 0.770 1.757 1.00 0.00 C ATOM 0 H VAL A 47 13.873 3.178 2.811 1.00 0.00 H new ATOM 0 HA VAL A 47 11.355 2.500 1.947 1.00 0.00 H new ATOM 0 HB VAL A 47 13.145 1.047 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.995 -1.034 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.878 0.079 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.871 -0.035 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.880 -0.225 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.847 0.824 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.240 1.513 1.713 1.00 0.00 H new ATOM 709 N LYS A 48 11.560 2.925 5.262 1.00 0.00 N ATOM 710 CA LYS A 48 10.819 3.091 6.503 1.00 0.00 C ATOM 711 C LYS A 48 9.865 4.269 6.406 1.00 0.00 C ATOM 712 O LYS A 48 8.682 4.102 6.703 1.00 0.00 O ATOM 713 CB LYS A 48 11.810 3.258 7.660 1.00 0.00 C ATOM 714 CG LYS A 48 12.497 1.916 7.939 1.00 0.00 C ATOM 715 CD LYS A 48 13.675 2.061 8.912 1.00 0.00 C ATOM 716 CE LYS A 48 13.458 1.146 10.110 1.00 0.00 C ATOM 717 NZ LYS A 48 12.429 1.677 11.026 1.00 0.00 N ATOM 0 H LYS A 48 12.568 3.033 5.377 1.00 0.00 H new ATOM 0 HA LYS A 48 10.212 2.205 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.554 4.015 7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.289 3.605 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.770 1.216 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.853 1.489 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.609 1.806 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.763 3.096 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.160 0.157 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.397 1.025 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.310 1.027 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.725 2.610 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.526 1.769 10.518 1.00 0.00 H new ATOM 731 N GLU A 49 10.366 5.428 5.970 1.00 0.00 N ATOM 732 CA GLU A 49 9.561 6.631 5.822 1.00 0.00 C ATOM 733 C GLU A 49 8.398 6.356 4.864 1.00 0.00 C ATOM 734 O GLU A 49 7.245 6.661 5.168 1.00 0.00 O ATOM 735 CB GLU A 49 10.432 7.780 5.283 1.00 0.00 C ATOM 736 CG GLU A 49 9.987 9.147 5.828 1.00 0.00 C ATOM 737 CD GLU A 49 10.774 9.654 7.040 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.002 8.887 8.006 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.149 10.850 7.033 1.00 0.00 O ATOM 0 H GLU A 49 11.345 5.553 5.711 1.00 0.00 H new ATOM 0 HA GLU A 49 9.161 6.920 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.473 7.603 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.384 7.791 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.069 9.883 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.933 9.086 6.099 1.00 0.00 H new ATOM 746 N PHE A 50 8.722 5.764 3.713 1.00 0.00 N ATOM 747 CA PHE A 50 7.766 5.387 2.683 1.00 0.00 C ATOM 748 C PHE A 50 6.712 4.424 3.208 1.00 0.00 C ATOM 749 O PHE A 50 5.527 4.645 2.969 1.00 0.00 O ATOM 750 CB PHE A 50 8.473 4.706 1.508 1.00 0.00 C ATOM 751 CG PHE A 50 8.705 5.531 0.267 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.642 6.238 -0.324 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.933 5.422 -0.403 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.781 6.758 -1.620 1.00 0.00 C ATOM 755 CE2 PHE A 50 10.062 5.913 -1.708 1.00 0.00 C ATOM 756 CZ PHE A 50 8.971 6.541 -2.331 1.00 0.00 C ATOM 0 H PHE A 50 9.684 5.529 3.470 1.00 0.00 H new ATOM 0 HA PHE A 50 7.285 6.311 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.440 4.346 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.890 3.829 1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.720 6.380 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.777 4.960 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.976 7.322 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.999 5.809 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.048 6.858 -3.361 1.00 0.00 H new ATOM 766 N SER A 51 7.156 3.336 3.839 1.00 0.00 N ATOM 767 CA SER A 51 6.326 2.260 4.332 1.00 0.00 C ATOM 768 C SER A 51 5.293 2.900 5.240 1.00 0.00 C ATOM 769 O SER A 51 4.122 2.838 4.906 1.00 0.00 O ATOM 770 CB SER A 51 7.183 1.171 4.993 1.00 0.00 C ATOM 771 OG SER A 51 6.430 0.015 5.283 1.00 0.00 O ATOM 0 H SER A 51 8.148 3.184 4.023 1.00 0.00 H new ATOM 0 HA SER A 51 5.803 1.731 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.010 0.910 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.619 1.561 5.913 1.00 0.00 H new ATOM 0 HG SER A 51 6.806 -0.431 6.071 1.00 0.00 H new ATOM 777 N GLU A 52 5.710 3.616 6.286 1.00 0.00 N ATOM 778 CA GLU A 52 4.832 4.460 7.100 1.00 0.00 C ATOM 779 C GLU A 52 3.791 5.231 6.277 1.00 0.00 C ATOM 780 O GLU A 52 2.602 5.061 6.554 1.00 0.00 O ATOM 781 CB GLU A 52 5.678 5.397 7.972 1.00 0.00 C ATOM 782 CG GLU A 52 6.361 4.691 9.146 1.00 0.00 C ATOM 783 CD GLU A 52 5.484 4.658 10.389 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.297 5.713 11.039 1.00 0.00 O ATOM 785 OE2 GLU A 52 4.984 3.569 10.751 1.00 0.00 O ATOM 0 H GLU A 52 6.682 3.626 6.596 1.00 0.00 H new ATOM 0 HA GLU A 52 4.251 3.800 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.439 5.870 7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.042 6.193 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.615 3.671 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.297 5.199 9.378 1.00 0.00 H new ATOM 792 N PHE A 53 4.189 6.038 5.282 1.00 0.00 N ATOM 793 CA PHE A 53 3.241 6.834 4.503 1.00 0.00 C ATOM 794 C PHE A 53 2.206 5.957 3.787 1.00 0.00 C ATOM 795 O PHE A 53 1.056 6.374 3.593 1.00 0.00 O ATOM 796 CB PHE A 53 3.990 7.701 3.477 1.00 0.00 C ATOM 797 CG PHE A 53 5.012 8.688 4.017 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.751 9.424 5.188 1.00 0.00 C ATOM 799 CD2 PHE A 53 6.212 8.914 3.312 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.659 10.403 5.627 1.00 0.00 C ATOM 801 CE2 PHE A 53 7.151 9.846 3.790 1.00 0.00 C ATOM 802 CZ PHE A 53 6.871 10.598 4.944 1.00 0.00 C ATOM 0 H PHE A 53 5.163 6.154 5.001 1.00 0.00 H new ATOM 0 HA PHE A 53 2.706 7.476 5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.499 7.036 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.251 8.260 2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.849 9.236 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.411 8.369 2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.424 11.007 6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.088 9.984 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.585 11.323 5.304 1.00 0.00 H new ATOM 812 N ILE A 54 2.599 4.753 3.367 1.00 0.00 N ATOM 813 CA ILE A 54 1.699 3.779 2.773 1.00 0.00 C ATOM 814 C ILE A 54 0.788 3.239 3.864 1.00 0.00 C ATOM 815 O ILE A 54 -0.434 3.293 3.709 1.00 0.00 O ATOM 816 CB ILE A 54 2.457 2.671 2.002 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.294 3.280 0.854 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.489 1.624 1.403 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.531 2.449 0.517 1.00 0.00 C ATOM 0 H ILE A 54 3.564 4.429 3.433 1.00 0.00 H new ATOM 0 HA ILE A 54 1.083 4.263 2.014 1.00 0.00 H new ATOM 0 HB ILE A 54 3.111 2.178 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.670 3.371 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.603 4.288 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.060 0.864 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.919 1.154 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.805 2.115 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.079 2.926 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.173 2.379 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.225 1.449 0.211 1.00 0.00 H new ATOM 831 N LEU A 55 1.361 2.670 4.924 1.00 0.00 N ATOM 832 CA LEU A 55 0.666 1.862 5.912 1.00 0.00 C ATOM 833 C LEU A 55 -0.443 2.660 6.585 1.00 0.00 C ATOM 834 O LEU A 55 -1.544 2.141 6.777 1.00 0.00 O ATOM 835 CB LEU A 55 1.625 1.315 6.978 1.00 0.00 C ATOM 836 CG LEU A 55 2.776 0.441 6.469 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.926 0.555 7.468 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.345 -1.010 6.242 1.00 0.00 C ATOM 0 H LEU A 55 2.357 2.765 5.121 1.00 0.00 H new ATOM 0 HA LEU A 55 0.228 1.018 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.050 2.159 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.045 0.734 7.695 1.00 0.00 H new ATOM 0 HG LEU A 55 3.103 0.795 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.762 -0.058 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.244 1.595 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.593 0.209 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.195 -1.590 5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.988 -1.434 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.545 -1.040 5.502 1.00 0.00 H new ATOM 850 N LYS A 56 -0.155 3.923 6.908 1.00 0.00 N ATOM 851 CA LYS A 56 -1.055 4.808 7.640 1.00 0.00 C ATOM 852 C LYS A 56 -2.369 5.028 6.899 1.00 0.00 C ATOM 853 O LYS A 56 -3.372 5.340 7.540 1.00 0.00 O ATOM 854 CB LYS A 56 -0.357 6.158 7.875 1.00 0.00 C ATOM 855 CG LYS A 56 0.810 6.191 8.873 1.00 0.00 C ATOM 856 CD LYS A 56 1.109 4.914 9.658 1.00 0.00 C ATOM 857 CE LYS A 56 2.335 5.156 10.530 1.00 0.00 C ATOM 858 NZ LYS A 56 2.142 6.217 11.540 1.00 0.00 N ATOM 0 H LYS A 56 0.730 4.365 6.661 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.293 4.334 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.012 6.517 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.109 6.871 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.711 6.467 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.615 6.988 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.253 4.640 10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.288 4.083 8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.599 4.228 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.178 5.422 9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.889 6.150 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.189 7.148 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.213 6.101 11.992 1.00 0.00 H new ATOM 872 N ARG A 57 -2.404 4.841 5.575 1.00 0.00 N ATOM 873 CA ARG A 57 -3.604 5.069 4.775 1.00 0.00 C ATOM 874 C ARG A 57 -4.791 4.260 5.285 1.00 0.00 C ATOM 875 O ARG A 57 -5.925 4.723 5.195 1.00 0.00 O ATOM 876 CB ARG A 57 -3.318 4.718 3.307 1.00 0.00 C ATOM 877 CG ARG A 57 -4.035 5.634 2.305 1.00 0.00 C ATOM 878 CD ARG A 57 -3.733 7.133 2.456 1.00 0.00 C ATOM 879 NE ARG A 57 -2.289 7.429 2.562 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.670 8.614 2.427 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.323 9.728 2.097 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.364 8.668 2.657 1.00 0.00 N ATOM 0 H ARG A 57 -1.600 4.527 5.032 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.868 6.123 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.244 4.772 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.619 3.687 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.763 5.325 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.110 5.484 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.145 7.668 1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.241 7.512 3.343 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.685 6.632 2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.330 9.700 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.816 10.608 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.141 7.824 2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.134 9.553 2.563 1.00 0.00 H new ATOM 896 N LEU A 58 -4.528 3.055 5.797 1.00 0.00 N ATOM 897 CA LEU A 58 -5.553 2.129 6.261 1.00 0.00 C ATOM 898 C LEU A 58 -6.239 2.643 7.519 1.00 0.00 C ATOM 899 O LEU A 58 -7.382 2.281 7.781 1.00 0.00 O ATOM 900 CB LEU A 58 -4.931 0.755 6.556 1.00 0.00 C ATOM 901 CG LEU A 58 -4.700 -0.141 5.328 1.00 0.00 C ATOM 902 CD1 LEU A 58 -6.010 -0.540 4.658 1.00 0.00 C ATOM 903 CD2 LEU A 58 -3.806 0.506 4.276 1.00 0.00 C ATOM 0 H LEU A 58 -3.580 2.694 5.901 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.297 2.040 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.976 0.908 7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.578 0.225 7.255 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.198 -1.025 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.800 -1.172 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.629 -1.089 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.539 0.355 4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.681 -0.176 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.265 1.431 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.832 0.726 4.712 1.00 0.00 H new ATOM 915 N ASP A 59 -5.525 3.438 8.318 1.00 0.00 N ATOM 916 CA ASP A 59 -6.020 3.980 9.577 1.00 0.00 C ATOM 917 C ASP A 59 -7.032 5.104 9.314 1.00 0.00 C ATOM 918 O ASP A 59 -7.885 5.395 10.155 1.00 0.00 O ATOM 919 CB ASP A 59 -4.818 4.462 10.414 1.00 0.00 C ATOM 920 CG ASP A 59 -5.003 4.187 11.909 1.00 0.00 C ATOM 921 OD1 ASP A 59 -6.028 4.580 12.505 1.00 0.00 O ATOM 922 OD2 ASP A 59 -4.114 3.532 12.505 1.00 0.00 O ATOM 0 H ASP A 59 -4.571 3.726 8.101 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.547 3.210 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.913 3.966 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.675 5.531 10.259 1.00 0.00 H new ATOM 927 N ASN A 60 -6.954 5.738 8.134 1.00 0.00 N ATOM 928 CA ASN A 60 -7.788 6.874 7.751 1.00 0.00 C ATOM 929 C ASN A 60 -9.256 6.466 7.538 1.00 0.00 C ATOM 930 O ASN A 60 -9.575 5.281 7.425 1.00 0.00 O ATOM 931 CB ASN A 60 -7.239 7.536 6.477 1.00 0.00 C ATOM 932 CG ASN A 60 -7.582 9.010 6.481 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.532 9.451 5.686 1.00 0.00 O flip ATOM 934 ND2 ASN A 60 -7.015 9.777 7.252 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.293 5.464 7.407 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.758 7.589 8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.158 7.404 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.663 7.056 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.279 9.430 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.280 10.762 7.278 1.00 0.00 H new ATOM 941 N LYS A 61 -10.173 7.438 7.448 1.00 0.00 N ATOM 942 CA LYS A 61 -11.619 7.196 7.459 1.00 0.00 C ATOM 943 C LYS A 61 -12.294 7.582 6.141 1.00 0.00 C ATOM 944 O LYS A 61 -13.046 8.555 6.075 1.00 0.00 O ATOM 945 CB LYS A 61 -12.278 7.788 8.717 1.00 0.00 C ATOM 946 CG LYS A 61 -12.042 9.292 8.925 1.00 0.00 C ATOM 947 CD LYS A 61 -10.862 9.657 9.839 1.00 0.00 C ATOM 948 CE LYS A 61 -11.111 9.164 11.267 1.00 0.00 C ATOM 949 NZ LYS A 61 -10.091 9.646 12.210 1.00 0.00 N ATOM 0 H LYS A 61 -9.928 8.425 7.365 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.776 6.120 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.352 7.607 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.906 7.253 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.881 9.755 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.950 9.730 9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.945 9.214 9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.718 10.737 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.095 9.497 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.124 8.074 11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.302 9.287 13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.154 9.307 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.095 10.686 12.224 1.00 0.00 H new ATOM 963 N SER A 62 -12.072 6.785 5.101 1.00 0.00 N ATOM 964 CA SER A 62 -12.890 6.717 3.893 1.00 0.00 C ATOM 965 C SER A 62 -12.715 5.294 3.361 1.00 0.00 C ATOM 966 O SER A 62 -11.610 4.757 3.438 1.00 0.00 O ATOM 967 CB SER A 62 -12.400 7.771 2.882 1.00 0.00 C ATOM 968 OG SER A 62 -12.882 7.531 1.572 1.00 0.00 O ATOM 0 H SER A 62 -11.282 6.140 5.075 1.00 0.00 H new ATOM 0 HA SER A 62 -13.943 6.929 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.722 8.760 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.310 7.778 2.869 1.00 0.00 H new ATOM 0 HG SER A 62 -12.546 8.226 0.968 1.00 0.00 H new ATOM 974 N PRO A 63 -13.720 4.683 2.723 1.00 0.00 N ATOM 975 CA PRO A 63 -13.497 3.485 1.930 1.00 0.00 C ATOM 976 C PRO A 63 -12.448 3.703 0.827 1.00 0.00 C ATOM 977 O PRO A 63 -11.607 2.834 0.592 1.00 0.00 O ATOM 978 CB PRO A 63 -14.870 3.121 1.358 1.00 0.00 C ATOM 979 CG PRO A 63 -15.624 4.445 1.364 1.00 0.00 C ATOM 980 CD PRO A 63 -15.078 5.169 2.575 1.00 0.00 C ATOM 0 HA PRO A 63 -13.088 2.676 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.789 2.711 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.373 2.371 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.448 5.009 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.700 4.292 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.097 6.249 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.672 4.956 3.463 1.00 0.00 H new ATOM 988 N ILE A 64 -12.482 4.823 0.106 1.00 0.00 N ATOM 989 CA ILE A 64 -11.684 4.951 -1.111 1.00 0.00 C ATOM 990 C ILE A 64 -10.219 5.150 -0.766 1.00 0.00 C ATOM 991 O ILE A 64 -9.359 4.535 -1.399 1.00 0.00 O ATOM 992 CB ILE A 64 -12.223 6.074 -2.002 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.703 5.824 -2.353 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.436 6.141 -3.306 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.571 6.940 -1.781 1.00 0.00 C ATOM 0 H ILE A 64 -13.044 5.642 0.339 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.764 4.025 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.122 7.009 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.825 5.775 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.023 4.862 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.831 6.944 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.386 6.334 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.528 5.193 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.615 6.755 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.460 6.968 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.259 7.896 -2.203 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.933 5.947 0.269 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.567 6.129 0.733 1.00 0.00 C ATOM 1009 C VAL A 65 -7.934 4.768 1.035 1.00 0.00 C ATOM 1010 O VAL A 65 -6.720 4.636 0.886 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.535 7.103 1.936 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.750 6.444 3.296 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.240 7.904 1.996 1.00 0.00 C ATOM 0 H VAL A 65 -10.632 6.472 0.795 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.963 6.589 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.382 7.762 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.711 7.202 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.724 5.954 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.969 5.704 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.265 8.573 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.395 7.222 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.132 8.491 1.084 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.726 3.774 1.482 1.00 0.00 N ATOM 1024 CA LYS A 66 -8.122 2.509 1.892 1.00 0.00 C ATOM 1025 C LYS A 66 -7.733 1.763 0.621 1.00 0.00 C ATOM 1026 O LYS A 66 -6.543 1.530 0.414 1.00 0.00 O ATOM 1027 CB LYS A 66 -9.020 1.680 2.856 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.752 2.017 4.341 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.930 2.357 5.269 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.887 1.201 5.594 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.759 1.542 6.749 1.00 0.00 N ATOM 0 H LYS A 66 -9.742 3.823 1.564 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.232 2.698 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.068 1.870 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.844 0.617 2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.227 1.167 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.064 2.862 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.529 2.744 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.506 3.162 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.502 0.977 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.314 0.302 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.683 1.079 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.313 1.213 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.891 2.573 6.792 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.701 1.396 -0.234 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.448 0.587 -1.438 1.00 0.00 C ATOM 1047 C GLN A 67 -7.360 1.221 -2.317 1.00 0.00 C ATOM 1048 O GLN A 67 -6.553 0.495 -2.901 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.757 0.337 -2.219 1.00 0.00 C ATOM 1050 CG GLN A 67 -9.600 -0.617 -3.430 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.133 0.074 -4.727 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.567 1.180 -5.070 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -8.270 -0.559 -5.504 1.00 0.00 N ATOM 0 H GLN A 67 -9.681 1.651 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.070 -0.385 -1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.500 -0.078 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.145 1.293 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.886 -1.399 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.555 -1.107 -3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.908 -1.472 -5.227 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.966 -0.135 -6.380 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.291 2.556 -2.382 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.261 3.248 -3.147 1.00 0.00 C ATOM 1064 C LYS A 68 -4.837 2.885 -2.711 1.00 0.00 C ATOM 1065 O LYS A 68 -3.975 2.864 -3.592 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.474 4.768 -3.093 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.513 5.257 -4.114 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.646 6.786 -4.108 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.533 7.249 -5.269 1.00 0.00 C ATOM 1070 NZ LYS A 68 -7.772 7.598 -6.481 1.00 0.00 N ATOM 0 H LYS A 68 -7.945 3.178 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.363 2.908 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.795 5.051 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.525 5.271 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.228 4.921 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.481 4.808 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.073 7.117 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.660 7.244 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.245 6.460 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.113 8.115 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.382 7.490 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.446 8.583 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.950 6.967 -6.569 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.563 2.602 -1.431 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.280 2.096 -0.988 1.00 0.00 C ATOM 1086 C ALA A 69 -3.085 0.664 -1.468 1.00 0.00 C ATOM 1087 O ALA A 69 -2.058 0.368 -2.057 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.197 2.151 0.535 1.00 0.00 C ATOM 0 H ALA A 69 -5.238 2.723 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.491 2.718 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.230 1.769 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.311 3.182 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.991 1.541 0.965 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.045 -0.236 -1.246 1.00 0.00 N ATOM 1095 CA LEU A 70 -3.858 -1.671 -1.430 1.00 0.00 C ATOM 1096 C LEU A 70 -3.315 -2.032 -2.811 1.00 0.00 C ATOM 1097 O LEU A 70 -2.368 -2.807 -2.918 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.174 -2.403 -1.184 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.453 -2.635 0.306 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -5.779 -1.368 1.074 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -6.652 -3.557 0.436 1.00 0.00 C ATOM 0 H LEU A 70 -4.982 0.016 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.110 -1.986 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.992 -1.827 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.153 -3.363 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.540 -3.056 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.964 -1.614 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.940 -0.676 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.668 -0.903 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.864 -3.732 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.519 -3.095 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.435 -4.507 -0.053 1.00 0.00 H new ATOM 1113 N ARG A 71 -3.876 -1.441 -3.870 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.374 -1.630 -5.234 1.00 0.00 C ATOM 1115 C ARG A 71 -1.903 -1.217 -5.370 1.00 0.00 C ATOM 1116 O ARG A 71 -1.157 -1.880 -6.090 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.304 -0.925 -6.242 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.445 0.595 -6.045 1.00 0.00 C ATOM 1119 CD ARG A 71 -3.678 1.407 -7.103 1.00 0.00 C ATOM 1120 NE ARG A 71 -4.343 1.404 -8.422 1.00 0.00 N ATOM 1121 CZ ARG A 71 -5.551 1.910 -8.701 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -6.156 2.739 -7.842 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -6.146 1.569 -9.838 1.00 0.00 N ATOM 0 H ARG A 71 -4.685 -0.823 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.391 -2.694 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.932 -1.113 -7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.294 -1.378 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.500 0.865 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.081 0.864 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.571 2.435 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.672 1.000 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.833 0.975 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.697 2.990 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.076 3.120 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.683 0.930 -10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.066 1.946 -10.065 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.479 -0.127 -4.724 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.084 0.306 -4.681 1.00 0.00 C ATOM 1139 C LEU A 72 0.768 -0.677 -3.874 1.00 0.00 C ATOM 1140 O LEU A 72 1.951 -0.813 -4.181 1.00 0.00 O ATOM 1141 CB LEU A 72 0.017 1.726 -4.078 1.00 0.00 C ATOM 1142 CG LEU A 72 1.443 2.307 -4.006 1.00 0.00 C ATOM 1143 CD1 LEU A 72 2.063 2.527 -5.384 1.00 0.00 C ATOM 1144 CD2 LEU A 72 1.419 3.634 -3.243 1.00 0.00 C ATOM 0 H LEU A 72 -2.108 0.488 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 72 0.298 0.329 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.603 2.400 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.402 1.707 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 72 2.060 1.575 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.066 2.937 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.118 1.576 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.448 3.225 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.428 4.043 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.767 4.339 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.045 3.466 -2.233 1.00 0.00 H new ATOM 1156 N ILE A 73 0.206 -1.336 -2.851 1.00 0.00 N ATOM 1157 CA ILE A 73 0.941 -2.256 -1.989 1.00 0.00 C ATOM 1158 C ILE A 73 1.326 -3.434 -2.860 1.00 0.00 C ATOM 1159 O ILE A 73 2.463 -3.518 -3.294 1.00 0.00 O ATOM 1160 CB ILE A 73 0.166 -2.651 -0.707 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -0.080 -1.422 0.186 1.00 0.00 C ATOM 1162 CG2 ILE A 73 0.940 -3.708 0.103 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -1.075 -1.715 1.311 1.00 0.00 C ATOM 0 H ILE A 73 -0.778 -1.241 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 73 1.834 -1.777 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.790 -3.068 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.866 -1.093 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.456 -0.601 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.374 -3.967 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.084 -4.600 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.911 -3.306 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.216 -0.818 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.030 -2.018 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.688 -2.518 1.939 1.00 0.00 H new ATOM 1175 N LYS A 74 0.387 -4.322 -3.176 1.00 0.00 N ATOM 1176 CA LYS A 74 0.658 -5.533 -3.946 1.00 0.00 C ATOM 1177 C LYS A 74 1.441 -5.303 -5.244 1.00 0.00 C ATOM 1178 O LYS A 74 2.153 -6.213 -5.658 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.641 -6.298 -4.232 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.723 -5.444 -4.919 1.00 0.00 C ATOM 1181 CD LYS A 74 -2.375 -6.231 -6.062 1.00 0.00 C ATOM 1182 CE LYS A 74 -3.303 -5.338 -6.877 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.975 -6.083 -7.964 1.00 0.00 N ATOM 0 H LYS A 74 -0.591 -4.221 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 74 1.311 -6.134 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.415 -7.158 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.038 -6.686 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.480 -5.150 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.280 -4.526 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.603 -6.647 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.937 -7.072 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.054 -4.900 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.731 -4.513 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.597 -5.439 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.260 -6.480 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.542 -6.855 -7.557 1.00 0.00 H new ATOM 1197 N TYR A 75 1.324 -4.137 -5.885 1.00 0.00 N ATOM 1198 CA TYR A 75 2.163 -3.780 -7.019 1.00 0.00 C ATOM 1199 C TYR A 75 3.608 -3.579 -6.565 1.00 0.00 C ATOM 1200 O TYR A 75 4.493 -4.251 -7.079 1.00 0.00 O ATOM 1201 CB TYR A 75 1.581 -2.548 -7.732 1.00 0.00 C ATOM 1202 CG TYR A 75 2.290 -2.075 -9.001 1.00 0.00 C ATOM 1203 CD1 TYR A 75 3.110 -2.935 -9.764 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.075 -0.758 -9.458 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.710 -2.485 -10.954 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.659 -0.311 -10.657 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.483 -1.170 -11.414 1.00 0.00 C ATOM 1208 OH TYR A 75 3.988 -0.732 -12.598 1.00 0.00 O ATOM 0 H TYR A 75 0.645 -3.420 -5.629 1.00 0.00 H new ATOM 0 HA TYR A 75 2.174 -4.594 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.543 -2.763 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.571 -1.721 -7.022 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.278 -3.948 -9.431 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.456 -0.086 -8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.348 -3.149 -11.519 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.475 0.696 -11.000 1.00 0.00 H new ATOM 0 HH TYR A 75 3.288 -0.763 -13.283 1.00 0.00 H new ATOM 1218 N ALA A 76 3.863 -2.647 -5.643 1.00 0.00 N ATOM 1219 CA ALA A 76 5.210 -2.305 -5.203 1.00 0.00 C ATOM 1220 C ALA A 76 5.857 -3.400 -4.343 1.00 0.00 C ATOM 1221 O ALA A 76 7.086 -3.471 -4.240 1.00 0.00 O ATOM 1222 CB ALA A 76 5.140 -0.994 -4.422 1.00 0.00 C ATOM 0 H ALA A 76 3.132 -2.107 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 76 5.840 -2.202 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.139 -0.719 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.746 -0.208 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.485 -1.119 -3.559 1.00 0.00 H new ATOM 1228 N VAL A 77 5.071 -4.248 -3.691 1.00 0.00 N ATOM 1229 CA VAL A 77 5.547 -5.389 -2.968 1.00 0.00 C ATOM 1230 C VAL A 77 6.046 -6.398 -3.991 1.00 0.00 C ATOM 1231 O VAL A 77 5.549 -6.543 -5.104 1.00 0.00 O ATOM 1232 CB VAL A 77 4.457 -5.966 -2.045 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.039 -7.141 -1.264 1.00 0.00 C ATOM 1234 CG2 VAL A 77 3.946 -5.017 -0.952 1.00 0.00 C ATOM 0 H VAL A 77 4.057 -4.145 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 77 6.365 -5.112 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 77 3.638 -6.208 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.274 -7.556 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.376 -7.909 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.883 -6.798 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.183 -5.522 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.774 -4.727 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.518 -4.127 -1.414 1.00 0.00 H new ATOM 1244 N GLY A 78 7.105 -7.060 -3.570 1.00 0.00 N ATOM 1245 CA GLY A 78 7.836 -8.041 -4.343 1.00 0.00 C ATOM 1246 C GLY A 78 8.645 -7.407 -5.476 1.00 0.00 C ATOM 1247 O GLY A 78 9.201 -8.124 -6.305 1.00 0.00 O ATOM 0 H GLY A 78 7.496 -6.922 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.508 -8.591 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.136 -8.765 -4.761 1.00 0.00 H new ATOM 1251 N LYS A 79 8.760 -6.070 -5.520 1.00 0.00 N ATOM 1252 CA LYS A 79 9.607 -5.378 -6.490 1.00 0.00 C ATOM 1253 C LYS A 79 10.451 -4.279 -5.867 1.00 0.00 C ATOM 1254 O LYS A 79 11.615 -4.170 -6.218 1.00 0.00 O ATOM 1255 CB LYS A 79 8.779 -4.910 -7.690 1.00 0.00 C ATOM 1256 CG LYS A 79 7.816 -3.743 -7.472 1.00 0.00 C ATOM 1257 CD LYS A 79 6.901 -3.454 -8.679 1.00 0.00 C ATOM 1258 CE LYS A 79 7.514 -2.766 -9.902 1.00 0.00 C ATOM 1259 NZ LYS A 79 8.464 -3.615 -10.649 1.00 0.00 N ATOM 0 H LYS A 79 8.267 -5.444 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 79 10.337 -6.096 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.469 -4.632 -8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.201 -5.760 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.196 -3.954 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.393 -2.847 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.475 -4.402 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.073 -2.837 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.713 -2.456 -10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.027 -1.860 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.414 -3.384 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.429 -3.443 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.219 -4.616 -10.509 1.00 0.00 H new ATOM 1273 N SER A 80 9.919 -3.551 -4.883 1.00 0.00 N ATOM 1274 CA SER A 80 10.598 -2.464 -4.174 1.00 0.00 C ATOM 1275 C SER A 80 11.869 -2.881 -3.419 1.00 0.00 C ATOM 1276 O SER A 80 12.531 -2.011 -2.852 1.00 0.00 O ATOM 1277 CB SER A 80 9.615 -1.852 -3.187 1.00 0.00 C ATOM 1278 OG SER A 80 8.531 -1.264 -3.866 1.00 0.00 O ATOM 0 H SER A 80 8.969 -3.708 -4.546 1.00 0.00 H new ATOM 0 HA SER A 80 10.925 -1.755 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.250 -2.620 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.121 -1.101 -2.580 1.00 0.00 H new ATOM 0 HG SER A 80 7.905 -1.963 -4.150 1.00 0.00 H new ATOM 1284 N GLY A 81 12.202 -4.172 -3.371 1.00 0.00 N ATOM 1285 CA GLY A 81 13.455 -4.672 -2.837 1.00 0.00 C ATOM 1286 C GLY A 81 13.277 -5.462 -1.542 1.00 0.00 C ATOM 1287 O GLY A 81 12.162 -5.658 -1.041 1.00 0.00 O ATOM 0 H GLY A 81 11.588 -4.911 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.933 -5.308 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.127 -3.833 -2.655 1.00 0.00 H new ATOM 1291 N SER A 82 14.406 -5.956 -1.043 1.00 0.00 N ATOM 1292 CA SER A 82 14.557 -6.833 0.106 1.00 0.00 C ATOM 1293 C SER A 82 14.101 -6.221 1.425 1.00 0.00 C ATOM 1294 O SER A 82 13.739 -6.968 2.326 1.00 0.00 O ATOM 1295 CB SER A 82 16.034 -7.257 0.197 1.00 0.00 C ATOM 1296 OG SER A 82 16.922 -6.158 0.027 1.00 0.00 O ATOM 0 H SER A 82 15.307 -5.734 -1.467 1.00 0.00 H new ATOM 0 HA SER A 82 13.903 -7.691 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.217 -7.723 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.241 -8.010 -0.563 1.00 0.00 H new ATOM 0 HG SER A 82 17.332 -5.932 0.888 1.00 0.00 H new ATOM 1302 N GLU A 83 14.109 -4.895 1.554 1.00 0.00 N ATOM 1303 CA GLU A 83 13.741 -4.232 2.800 1.00 0.00 C ATOM 1304 C GLU A 83 12.233 -3.999 2.804 1.00 0.00 C ATOM 1305 O GLU A 83 11.537 -4.436 3.721 1.00 0.00 O ATOM 1306 CB GLU A 83 14.523 -2.921 2.970 1.00 0.00 C ATOM 1307 CG GLU A 83 15.990 -3.147 3.357 1.00 0.00 C ATOM 1308 CD GLU A 83 16.812 -3.801 2.248 1.00 0.00 C ATOM 1309 OE1 GLU A 83 17.085 -3.139 1.225 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.206 -4.988 2.368 1.00 0.00 O ATOM 0 H GLU A 83 14.369 -4.256 0.803 1.00 0.00 H new ATOM 0 HA GLU A 83 14.001 -4.864 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.481 -2.355 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.040 -2.312 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.441 -2.190 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.031 -3.773 4.248 1.00 0.00 H new ATOM 1317 N PHE A 84 11.699 -3.379 1.745 1.00 0.00 N ATOM 1318 CA PHE A 84 10.275 -3.081 1.653 1.00 0.00 C ATOM 1319 C PHE A 84 9.415 -4.338 1.808 1.00 0.00 C ATOM 1320 O PHE A 84 8.350 -4.276 2.431 1.00 0.00 O ATOM 1321 CB PHE A 84 9.971 -2.370 0.332 1.00 0.00 C ATOM 1322 CG PHE A 84 8.519 -1.949 0.215 1.00 0.00 C ATOM 1323 CD1 PHE A 84 8.058 -0.812 0.903 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.614 -2.719 -0.539 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.703 -0.454 0.843 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.265 -2.342 -0.621 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.799 -1.226 0.094 1.00 0.00 C ATOM 0 H PHE A 84 12.241 -3.074 0.937 1.00 0.00 H new ATOM 0 HA PHE A 84 10.019 -2.418 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.608 -1.490 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.221 -3.031 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.749 -0.213 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.959 -3.602 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.353 0.419 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.583 -2.911 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.752 -0.963 0.068 1.00 0.00 H new ATOM 1337 N ARG A 85 9.864 -5.489 1.282 1.00 0.00 N ATOM 1338 CA ARG A 85 9.098 -6.727 1.424 1.00 0.00 C ATOM 1339 C ARG A 85 8.924 -7.126 2.893 1.00 0.00 C ATOM 1340 O ARG A 85 7.992 -7.864 3.185 1.00 0.00 O ATOM 1341 CB ARG A 85 9.704 -7.865 0.572 1.00 0.00 C ATOM 1342 CG ARG A 85 10.878 -8.575 1.259 1.00 0.00 C ATOM 1343 CD ARG A 85 11.672 -9.514 0.351 1.00 0.00 C ATOM 1344 NE ARG A 85 10.861 -10.637 -0.145 1.00 0.00 N ATOM 1345 CZ ARG A 85 11.130 -11.430 -1.186 1.00 0.00 C ATOM 1346 NH1 ARG A 85 12.247 -11.260 -1.892 1.00 0.00 N ATOM 1347 NH2 ARG A 85 10.292 -12.405 -1.522 1.00 0.00 N ATOM 0 H ARG A 85 10.738 -5.583 0.764 1.00 0.00 H new ATOM 0 HA ARG A 85 8.097 -6.539 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.927 -8.596 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.042 -7.457 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.555 -7.822 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.496 -9.146 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.063 -8.950 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.530 -9.904 0.898 1.00 0.00 H new ATOM 0 HE ARG A 85 9.998 -10.832 0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.903 -10.521 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.446 -11.869 -2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.438 -12.551 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.503 -13.007 -2.318 1.00 0.00 H new ATOM 1361 N ARG A 86 9.780 -6.672 3.819 1.00 0.00 N ATOM 1362 CA ARG A 86 9.679 -6.984 5.244 1.00 0.00 C ATOM 1363 C ARG A 86 8.977 -5.862 6.003 1.00 0.00 C ATOM 1364 O ARG A 86 8.217 -6.159 6.919 1.00 0.00 O ATOM 1365 CB ARG A 86 11.076 -7.210 5.856 1.00 0.00 C ATOM 1366 CG ARG A 86 12.004 -8.182 5.109 1.00 0.00 C ATOM 1367 CD ARG A 86 11.407 -9.585 4.928 1.00 0.00 C ATOM 1368 NE ARG A 86 12.371 -10.550 4.369 1.00 0.00 N ATOM 1369 CZ ARG A 86 13.471 -11.036 4.961 1.00 0.00 C ATOM 1370 NH1 ARG A 86 13.772 -10.788 6.231 1.00 0.00 N ATOM 1371 NH2 ARG A 86 14.291 -11.783 4.240 1.00 0.00 N ATOM 0 H ARG A 86 10.571 -6.070 3.592 1.00 0.00 H new ATOM 0 HA ARG A 86 9.092 -7.898 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.578 -6.245 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.947 -7.576 6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.238 -7.767 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.945 -8.264 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.052 -9.950 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.539 -9.523 4.271 1.00 0.00 H new ATOM 0 HE ARG A 86 12.179 -10.886 3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.154 -10.206 6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.621 -11.179 6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.078 -11.975 3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.136 -12.167 4.663 1.00 0.00 H new ATOM 1385 N GLU A 87 9.165 -4.591 5.635 1.00 0.00 N ATOM 1386 CA GLU A 87 8.545 -3.474 6.358 1.00 0.00 C ATOM 1387 C GLU A 87 7.021 -3.476 6.223 1.00 0.00 C ATOM 1388 O GLU A 87 6.313 -3.078 7.150 1.00 0.00 O ATOM 1389 CB GLU A 87 9.126 -2.134 5.873 1.00 0.00 C ATOM 1390 CG GLU A 87 9.448 -1.195 7.046 1.00 0.00 C ATOM 1391 CD GLU A 87 10.652 -1.702 7.851 1.00 0.00 C ATOM 1392 OE1 GLU A 87 11.800 -1.343 7.508 1.00 0.00 O ATOM 1393 OE2 GLU A 87 10.486 -2.532 8.773 1.00 0.00 O ATOM 0 H GLU A 87 9.741 -4.309 4.842 1.00 0.00 H new ATOM 0 HA GLU A 87 8.777 -3.602 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.032 -2.318 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.414 -1.650 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.656 -0.194 6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.579 -1.114 7.699 1.00 0.00 H new ATOM 1400 N MET A 88 6.519 -3.975 5.091 1.00 0.00 N ATOM 1401 CA MET A 88 5.108 -4.273 4.895 1.00 0.00 C ATOM 1402 C MET A 88 4.675 -5.369 5.873 1.00 0.00 C ATOM 1403 O MET A 88 3.671 -5.197 6.555 1.00 0.00 O ATOM 1404 CB MET A 88 4.884 -4.653 3.429 1.00 0.00 C ATOM 1405 CG MET A 88 4.937 -3.389 2.560 1.00 0.00 C ATOM 1406 SD MET A 88 3.393 -2.434 2.581 1.00 0.00 S ATOM 1407 CE MET A 88 4.005 -0.902 3.318 1.00 0.00 C ATOM 0 H MET A 88 7.095 -4.185 4.275 1.00 0.00 H new ATOM 0 HA MET A 88 4.488 -3.402 5.106 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.646 -5.362 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.919 -5.147 3.313 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.753 -2.754 2.905 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.166 -3.673 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.163 -0.259 3.573 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.571 -1.133 4.220 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.651 -0.388 2.606 1.00 0.00 H new ATOM 1417 N GLN A 89 5.429 -6.472 5.996 1.00 0.00 N ATOM 1418 CA GLN A 89 5.131 -7.546 6.947 1.00 0.00 C ATOM 1419 C GLN A 89 5.046 -7.005 8.380 1.00 0.00 C ATOM 1420 O GLN A 89 4.051 -7.267 9.055 1.00 0.00 O ATOM 1421 CB GLN A 89 6.149 -8.693 6.844 1.00 0.00 C ATOM 1422 CG GLN A 89 6.138 -9.388 5.487 1.00 0.00 C ATOM 1423 CD GLN A 89 7.174 -10.500 5.426 1.00 0.00 C ATOM 1424 OE1 GLN A 89 7.245 -11.362 6.292 1.00 0.00 O ATOM 1425 NE2 GLN A 89 8.030 -10.491 4.427 1.00 0.00 N ATOM 0 H GLN A 89 6.264 -6.642 5.436 1.00 0.00 H new ATOM 0 HA GLN A 89 4.155 -7.955 6.684 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.148 -8.301 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.939 -9.427 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.147 -9.800 5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.337 -8.659 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.967 -9.771 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.757 -11.204 4.372 1.00 0.00 H new ATOM 1434 N ARG A 90 6.031 -6.220 8.843 1.00 0.00 N ATOM 1435 CA ARG A 90 6.065 -5.735 10.232 1.00 0.00 C ATOM 1436 C ARG A 90 4.864 -4.869 10.614 1.00 0.00 C ATOM 1437 O ARG A 90 4.608 -4.719 11.809 1.00 0.00 O ATOM 1438 CB ARG A 90 7.348 -4.940 10.532 1.00 0.00 C ATOM 1439 CG ARG A 90 8.621 -5.790 10.458 1.00 0.00 C ATOM 1440 CD ARG A 90 9.785 -5.122 11.199 1.00 0.00 C ATOM 1441 NE ARG A 90 9.737 -5.371 12.651 1.00 0.00 N ATOM 1442 CZ ARG A 90 10.450 -4.739 13.590 1.00 0.00 C ATOM 1443 NH1 ARG A 90 11.197 -3.687 13.287 1.00 0.00 N ATOM 1444 NH2 ARG A 90 10.413 -5.164 14.847 1.00 0.00 N ATOM 0 H ARG A 90 6.817 -5.907 8.274 1.00 0.00 H new ATOM 0 HA ARG A 90 6.035 -6.643 10.834 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.429 -4.115 9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.270 -4.501 11.527 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.430 -6.773 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.895 -5.948 9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.729 -5.493 10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.762 -4.048 11.015 1.00 0.00 H new ATOM 0 HE ARG A 90 9.097 -6.097 12.972 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.234 -3.348 12.326 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.735 -3.217 14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.841 -5.971 15.096 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.956 -4.683 15.564 1.00 0.00 H new ATOM 1458 N ASN A 91 4.135 -4.308 9.644 1.00 0.00 N ATOM 1459 CA ASN A 91 2.978 -3.448 9.883 1.00 0.00 C ATOM 1460 C ASN A 91 1.717 -4.020 9.205 1.00 0.00 C ATOM 1461 O ASN A 91 0.694 -3.344 9.114 1.00 0.00 O ATOM 1462 CB ASN A 91 3.293 -2.006 9.441 1.00 0.00 C ATOM 1463 CG ASN A 91 4.405 -1.337 10.247 1.00 0.00 C ATOM 1464 OD1 ASN A 91 4.168 -0.892 11.367 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.600 -1.187 9.690 1.00 0.00 N ATOM 0 H ASN A 91 4.339 -4.443 8.654 1.00 0.00 H new ATOM 0 HA ASN A 91 2.764 -3.420 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.576 -2.013 8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.387 -1.406 9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.339 -0.696 10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.780 -1.563 8.759 1.00 0.00 H new ATOM 1472 N SER A 92 1.762 -5.271 8.728 1.00 0.00 N ATOM 1473 CA SER A 92 0.753 -5.895 7.863 1.00 0.00 C ATOM 1474 C SER A 92 -0.635 -6.009 8.494 1.00 0.00 C ATOM 1475 O SER A 92 -1.640 -6.116 7.782 1.00 0.00 O ATOM 1476 CB SER A 92 1.236 -7.288 7.459 1.00 0.00 C ATOM 1477 OG SER A 92 1.578 -8.074 8.588 1.00 0.00 O ATOM 0 H SER A 92 2.534 -5.901 8.943 1.00 0.00 H new ATOM 0 HA SER A 92 0.641 -5.239 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.456 -7.792 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.102 -7.197 6.804 1.00 0.00 H new ATOM 0 HG SER A 92 2.505 -7.889 8.847 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.704 -5.946 9.826 1.00 0.00 N ATOM 1484 CA VAL A 93 -1.947 -5.892 10.576 1.00 0.00 C ATOM 1485 C VAL A 93 -2.859 -4.787 10.056 1.00 0.00 C ATOM 1486 O VAL A 93 -4.083 -4.924 10.106 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.642 -5.726 12.071 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -0.834 -4.469 12.426 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.929 -5.820 12.894 1.00 0.00 C ATOM 0 H VAL A 93 0.125 -5.931 10.420 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.485 -6.830 10.439 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.985 -6.556 12.333 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.667 -4.436 13.503 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.126 -4.496 11.910 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.387 -3.582 12.117 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.694 -5.700 13.952 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.617 -5.034 12.584 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.393 -6.793 12.733 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.278 -3.707 9.527 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.047 -2.587 9.051 1.00 0.00 C ATOM 1501 C ALA A 94 -3.985 -2.975 7.907 1.00 0.00 C ATOM 1502 O ALA A 94 -4.990 -2.305 7.711 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.096 -1.477 8.598 1.00 0.00 C ATOM 0 H ALA A 94 -1.269 -3.598 9.423 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.671 -2.234 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.675 -0.627 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.476 -1.163 9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.458 -1.849 7.796 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.676 -4.034 7.155 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.508 -4.516 6.061 1.00 0.00 C ATOM 1511 C VAL A 95 -5.319 -5.725 6.533 1.00 0.00 C ATOM 1512 O VAL A 95 -6.518 -5.777 6.263 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.627 -4.806 4.832 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -4.470 -5.267 3.642 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.826 -3.567 4.409 1.00 0.00 C ATOM 0 H VAL A 95 -2.829 -4.585 7.294 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.228 -3.757 5.755 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.939 -5.600 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.820 -5.464 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.006 -6.178 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.186 -4.488 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.215 -3.808 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.512 -2.758 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.181 -3.253 5.229 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.708 -6.655 7.283 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.387 -7.819 7.870 1.00 0.00 C ATOM 1527 C ARG A 96 -6.651 -7.414 8.624 1.00 0.00 C ATOM 1528 O ARG A 96 -7.696 -8.043 8.481 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.414 -8.588 8.780 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.409 -9.419 7.977 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.479 -10.300 8.826 1.00 0.00 C ATOM 1532 NE ARG A 96 -3.190 -11.481 9.346 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.684 -12.695 9.607 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -1.382 -12.949 9.489 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -3.499 -13.670 9.986 1.00 0.00 N ATOM 0 H ARG A 96 -3.712 -6.618 7.502 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.702 -8.477 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.876 -7.882 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.979 -9.244 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.957 -10.056 7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.799 -8.745 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.628 -10.620 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.081 -9.717 9.657 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.186 -11.361 9.529 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.743 -12.211 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.024 -13.882 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.499 -13.492 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.126 -14.598 10.187 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.591 -6.307 9.365 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.715 -5.795 10.140 1.00 0.00 C ATOM 1551 C ASN A 97 -8.956 -5.464 9.295 1.00 0.00 C ATOM 1552 O ASN A 97 -10.059 -5.383 9.829 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.236 -4.560 10.911 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.251 -4.074 11.937 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.018 -3.146 11.689 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.231 -4.680 13.116 1.00 0.00 N ATOM 0 H ASN A 97 -5.749 -5.736 9.443 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.040 -6.583 10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.299 -4.794 11.416 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.026 -3.756 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.867 -4.379 13.855 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.580 -5.447 13.284 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.802 -5.248 7.985 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.841 -4.726 7.095 1.00 0.00 C ATOM 1565 C LEU A 98 -10.477 -5.793 6.221 1.00 0.00 C ATOM 1566 O LEU A 98 -11.436 -5.473 5.518 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.286 -3.595 6.251 1.00 0.00 C ATOM 1568 CG LEU A 98 -9.221 -2.272 7.009 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -10.560 -1.643 7.393 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -8.287 -2.225 8.214 1.00 0.00 C ATOM 0 H LEU A 98 -7.924 -5.438 7.501 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.639 -4.345 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.287 -3.861 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.907 -3.471 5.364 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.779 -1.659 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.384 -0.709 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.140 -1.443 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.113 -2.328 8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.328 -1.235 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.598 -2.972 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.267 -2.434 7.892 1.00 0.00 H new ATOM 1582 N PHE A 99 -10.015 -7.040 6.326 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.640 -8.214 5.702 1.00 0.00 C ATOM 1584 C PHE A 99 -12.166 -8.196 5.928 1.00 0.00 C ATOM 1585 O PHE A 99 -12.939 -8.551 5.037 1.00 0.00 O ATOM 1586 CB PHE A 99 -10.032 -9.506 6.278 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.727 -9.992 5.664 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.663 -9.107 5.402 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.555 -11.366 5.397 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.441 -9.593 4.915 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.335 -11.845 4.889 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.267 -10.964 4.678 1.00 0.00 C ATOM 0 H PHE A 99 -9.176 -7.270 6.859 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.448 -8.182 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.869 -9.356 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.770 -10.302 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.789 -8.049 5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.366 -12.055 5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.629 -8.907 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.221 -12.894 4.661 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.314 -11.339 4.334 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.605 -7.718 7.104 1.00 0.00 N ATOM 1603 CA HIS A 100 -14.001 -7.692 7.532 1.00 0.00 C ATOM 1604 C HIS A 100 -14.564 -6.272 7.664 1.00 0.00 C ATOM 1605 O HIS A 100 -15.386 -5.983 8.545 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.164 -8.550 8.795 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.725 -9.977 8.577 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -14.465 -10.958 7.954 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.481 -10.489 8.829 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -13.669 -12.028 7.795 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.463 -11.797 8.343 1.00 0.00 N ATOM 0 H HIS A 100 -11.971 -7.327 7.802 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.615 -8.137 6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.582 -8.113 9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.208 -8.537 9.108 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.664 -9.976 9.314 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.956 -12.943 7.298 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.683 -12.453 8.394 1.00 0.00 H new ATOM 1619 N TYR A 101 -14.123 -5.362 6.796 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.648 -4.006 6.748 1.00 0.00 C ATOM 1621 C TYR A 101 -16.024 -3.959 6.074 1.00 0.00 C ATOM 1622 O TYR A 101 -16.406 -4.881 5.345 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.600 -3.123 6.082 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.974 -1.670 5.936 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -14.465 -0.931 7.022 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -13.845 -1.062 4.683 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.784 0.422 6.851 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.051 0.316 4.526 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.490 1.070 5.633 1.00 0.00 C ATOM 1630 OH TYR A 101 -14.495 2.425 5.564 1.00 0.00 O ATOM 0 H TYR A 101 -13.393 -5.548 6.109 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.828 -3.623 7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.677 -3.187 6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.386 -3.526 5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -14.596 -1.402 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.583 -1.662 3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -15.256 0.970 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -13.876 0.792 3.572 1.00 0.00 H new ATOM 0 HH TYR A 101 -14.271 2.707 4.653 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.803 -2.908 6.376 1.00 0.00 N ATOM 1641 CA LYS A 102 -18.215 -2.828 6.012 1.00 0.00 C ATOM 1642 C LYS A 102 -18.704 -1.392 5.816 1.00 0.00 C ATOM 1643 O LYS A 102 -19.328 -1.111 4.794 1.00 0.00 O ATOM 1644 CB LYS A 102 -19.028 -3.651 7.027 1.00 0.00 C ATOM 1645 CG LYS A 102 -19.354 -3.063 8.411 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.800 -2.541 8.440 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.226 -1.953 9.791 1.00 0.00 C ATOM 1648 NZ LYS A 102 -22.557 -1.306 9.715 1.00 0.00 N ATOM 0 H LYS A 102 -16.464 -2.090 6.882 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.365 -3.269 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.975 -3.906 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.491 -4.586 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.219 -3.825 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.663 -2.253 8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.915 -1.777 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -21.475 -3.357 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.249 -2.744 10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.486 -1.224 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.810 -0.921 10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.529 -0.535 9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.268 -2.008 9.426 1.00 0.00 H new ATOM 1662 N GLY A 103 -18.348 -0.484 6.729 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.621 0.945 6.613 1.00 0.00 C ATOM 1664 C GLY A 103 -20.108 1.278 6.539 1.00 0.00 C ATOM 1665 O GLY A 103 -20.968 0.442 6.820 1.00 0.00 O ATOM 0 H GLY A 103 -17.852 -0.730 7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -18.184 1.461 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.126 1.330 5.721 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.425 2.536 6.243 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.793 2.964 5.970 1.00 0.00 C ATOM 1671 C HIS A 104 -22.241 2.410 4.603 1.00 0.00 C ATOM 1672 O HIS A 104 -21.386 2.144 3.752 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.854 4.495 5.979 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.776 5.129 7.350 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -22.686 6.034 7.831 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -20.816 4.961 8.316 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -22.286 6.422 9.050 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.148 5.788 9.404 1.00 0.00 N ATOM 0 H HIS A 104 -19.739 3.288 6.186 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.465 2.581 6.738 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.036 4.880 5.370 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.782 4.810 5.502 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.957 4.309 8.252 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -22.803 7.143 9.665 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -20.635 5.888 10.280 1.00 0.00 H new ATOM 1686 N PRO A 105 -23.552 2.249 4.366 1.00 0.00 N ATOM 1687 CA PRO A 105 -24.062 1.753 3.100 1.00 0.00 C ATOM 1688 C PRO A 105 -23.937 2.791 2.007 1.00 0.00 C ATOM 1689 O PRO A 105 -23.824 3.993 2.253 1.00 0.00 O ATOM 1690 CB PRO A 105 -25.533 1.427 3.334 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.921 2.414 4.440 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.646 2.531 5.276 1.00 0.00 C ATOM 0 HA PRO A 105 -23.493 0.881 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -26.129 1.573 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -25.674 0.392 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -26.222 3.378 4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.757 2.044 5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.550 3.528 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.656 1.825 6.106 1.00 0.00 H new ATOM 1700 N ASP A 106 -24.028 2.313 0.775 1.00 0.00 N ATOM 1701 CA ASP A 106 -23.943 3.171 -0.385 1.00 0.00 C ATOM 1702 C ASP A 106 -25.332 3.656 -0.785 1.00 0.00 C ATOM 1703 O ASP A 106 -26.240 2.825 -0.806 1.00 0.00 O ATOM 1704 CB ASP A 106 -23.354 2.389 -1.532 1.00 0.00 C ATOM 1705 CG ASP A 106 -21.830 2.317 -1.489 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -21.198 3.392 -1.500 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -21.296 1.184 -1.515 1.00 0.00 O ATOM 0 H ASP A 106 -24.162 1.325 0.558 1.00 0.00 H new ATOM 0 HA ASP A 106 -23.316 4.030 -0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -23.760 1.377 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -23.664 2.846 -2.472 1.00 0.00 H new ATOM 1712 N PRO A 107 -25.498 4.922 -1.209 1.00 0.00 N ATOM 1713 CA PRO A 107 -26.760 5.431 -1.748 1.00 0.00 C ATOM 1714 C PRO A 107 -27.072 4.929 -3.165 1.00 0.00 C ATOM 1715 O PRO A 107 -28.224 4.992 -3.605 1.00 0.00 O ATOM 1716 CB PRO A 107 -26.590 6.951 -1.766 1.00 0.00 C ATOM 1717 CG PRO A 107 -25.082 7.171 -1.894 1.00 0.00 C ATOM 1718 CD PRO A 107 -24.475 5.958 -1.198 1.00 0.00 C ATOM 0 HA PRO A 107 -27.593 5.086 -1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -27.128 7.400 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.980 7.404 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -24.774 7.229 -2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -24.772 8.101 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -23.577 5.622 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -24.181 6.203 -0.177 1.00 0.00 H new ATOM 1726 N LEU A 108 -26.058 4.486 -3.914 1.00 0.00 N ATOM 1727 CA LEU A 108 -26.163 4.023 -5.287 1.00 0.00 C ATOM 1728 C LEU A 108 -25.259 2.821 -5.534 1.00 0.00 C ATOM 1729 O LEU A 108 -25.717 1.818 -6.070 1.00 0.00 O ATOM 1730 CB LEU A 108 -25.858 5.149 -6.288 1.00 0.00 C ATOM 1731 CG LEU A 108 -24.649 6.073 -6.022 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -23.702 6.107 -7.227 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -25.107 7.503 -5.713 1.00 0.00 C ATOM 0 H LEU A 108 -25.103 4.441 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 108 -27.195 3.709 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -25.714 4.691 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -26.745 5.778 -6.358 1.00 0.00 H new ATOM 0 HG LEU A 108 -24.121 5.666 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -22.861 6.765 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -23.333 5.101 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -24.238 6.479 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -24.236 8.132 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -25.667 7.897 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -25.744 7.498 -4.828 1.00 0.00 H new ATOM 1745 N LYS A 109 -23.986 2.899 -5.138 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.954 1.913 -5.473 1.00 0.00 C ATOM 1747 C LYS A 109 -23.235 0.527 -4.871 1.00 0.00 C ATOM 1748 O LYS A 109 -22.592 -0.439 -5.274 1.00 0.00 O ATOM 1749 CB LYS A 109 -21.570 2.442 -5.048 1.00 0.00 C ATOM 1750 CG LYS A 109 -21.234 3.858 -5.560 1.00 0.00 C ATOM 1751 CD LYS A 109 -20.677 3.865 -6.985 1.00 0.00 C ATOM 1752 CE LYS A 109 -19.170 3.608 -6.954 1.00 0.00 C ATOM 1753 NZ LYS A 109 -18.622 3.332 -8.293 1.00 0.00 N ATOM 0 H LYS A 109 -23.636 3.666 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.967 1.775 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -21.515 2.442 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -20.807 1.751 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -22.133 4.473 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -20.507 4.317 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -21.173 3.100 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -20.882 4.824 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.665 4.475 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.961 2.763 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.598 3.164 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -19.084 2.489 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.796 4.148 -8.914 1.00 0.00 H new ATOM 1767 N GLY A 110 -24.196 0.405 -3.958 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.797 -0.855 -3.561 1.00 0.00 C ATOM 1769 C GLY A 110 -23.886 -1.706 -2.687 1.00 0.00 C ATOM 1770 O GLY A 110 -23.707 -2.907 -2.900 1.00 0.00 O ATOM 0 H GLY A 110 -24.586 1.207 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.723 -0.654 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -25.064 -1.420 -4.454 1.00 0.00 H new ATOM 1774 N ASP A 111 -23.338 -1.059 -1.667 1.00 0.00 N ATOM 1775 CA ASP A 111 -22.456 -1.581 -0.637 1.00 0.00 C ATOM 1776 C ASP A 111 -21.230 -2.225 -1.277 1.00 0.00 C ATOM 1777 O ASP A 111 -20.849 -3.352 -0.963 1.00 0.00 O ATOM 1778 CB ASP A 111 -23.241 -2.408 0.392 1.00 0.00 C ATOM 1779 CG ASP A 111 -23.932 -1.469 1.381 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -24.751 -0.617 0.944 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -23.608 -1.536 2.588 1.00 0.00 O ATOM 0 H ASP A 111 -23.518 -0.064 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 111 -22.037 -0.781 -0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -23.980 -3.029 -0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -22.568 -3.081 0.923 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.616 -1.482 -2.201 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.493 -1.911 -3.017 1.00 0.00 C ATOM 1788 C ALA A 112 -18.213 -1.123 -2.729 1.00 0.00 C ATOM 1789 O ALA A 112 -17.126 -1.663 -2.938 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.860 -1.775 -4.493 1.00 0.00 C ATOM 0 H ALA A 112 -20.905 -0.525 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.288 -2.952 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.019 -2.096 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.728 -2.398 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -20.095 -0.734 -4.715 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.296 0.131 -2.269 1.00 0.00 N ATOM 1797 CA LEU A 113 -17.114 0.957 -1.986 1.00 0.00 C ATOM 1798 C LEU A 113 -16.249 0.285 -0.932 1.00 0.00 C ATOM 1799 O LEU A 113 -15.033 0.161 -1.080 1.00 0.00 O ATOM 1800 CB LEU A 113 -17.524 2.350 -1.466 1.00 0.00 C ATOM 1801 CG LEU A 113 -17.167 3.512 -2.405 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -17.926 3.354 -3.727 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -17.579 4.808 -1.706 1.00 0.00 C ATOM 0 H LEU A 113 -19.182 0.602 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.558 1.069 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.600 2.357 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.045 2.519 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.100 3.525 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.672 4.179 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -17.648 2.410 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -18.999 3.360 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -17.340 5.658 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -18.651 4.791 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -17.040 4.900 -0.763 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.876 -0.113 0.171 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.200 -0.734 1.298 1.00 0.00 C ATOM 1817 C ASN A 114 -15.942 -2.209 0.996 1.00 0.00 C ATOM 1818 O ASN A 114 -15.015 -2.783 1.558 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.037 -0.592 2.584 1.00 0.00 C ATOM 1820 CG ASN A 114 -17.336 0.847 2.991 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -18.294 1.509 2.382 1.00 0.00 O flip ATOM 1822 ND2 ASN A 114 -16.676 1.411 3.845 1.00 0.00 N flip ATOM 0 H ASN A 114 -17.882 -0.010 0.306 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.248 -0.228 1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -17.980 -1.121 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.510 -1.085 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.929 0.910 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -16.870 2.385 4.079 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.669 -2.829 0.062 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.348 -4.173 -0.403 1.00 0.00 C ATOM 1831 C LYS A 115 -15.029 -4.160 -1.174 1.00 0.00 C ATOM 1832 O LYS A 115 -14.163 -4.968 -0.870 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.525 -4.765 -1.181 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.332 -6.236 -1.591 1.00 0.00 C ATOM 1835 CD LYS A 115 -16.717 -6.382 -2.991 1.00 0.00 C ATOM 1836 CE LYS A 115 -17.753 -6.249 -4.103 1.00 0.00 C ATOM 1837 NZ LYS A 115 -18.498 -7.511 -4.319 1.00 0.00 N ATOM 0 H LYS A 115 -17.487 -2.416 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.194 -4.838 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.426 -4.684 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.691 -4.168 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.690 -6.731 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.295 -6.746 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.945 -5.624 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.228 -7.353 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.454 -5.452 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -17.256 -5.958 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.192 -7.378 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.833 -8.266 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.993 -7.776 -3.444 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.804 -3.198 -2.072 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.504 -3.052 -2.730 1.00 0.00 C ATOM 1853 C ALA A 116 -12.350 -2.874 -1.732 1.00 0.00 C ATOM 1854 O ALA A 116 -11.202 -3.139 -2.070 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.533 -1.868 -3.699 1.00 0.00 C ATOM 0 H ALA A 116 -15.502 -2.512 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.322 -3.978 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.561 -1.769 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.299 -2.036 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.760 -0.954 -3.150 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.619 -2.441 -0.500 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.626 -2.414 0.564 1.00 0.00 C ATOM 1863 C VAL A 117 -11.505 -3.787 1.234 1.00 0.00 C ATOM 1864 O VAL A 117 -10.395 -4.164 1.627 1.00 0.00 O ATOM 1865 CB VAL A 117 -12.028 -1.354 1.591 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -11.081 -1.291 2.790 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.091 0.033 0.978 1.00 0.00 C ATOM 0 H VAL A 117 -13.537 -2.099 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.653 -2.165 0.140 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.016 -1.662 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.421 -0.520 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.072 -2.256 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.074 -1.052 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.380 0.755 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.112 0.299 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.826 0.042 0.173 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.634 -4.471 1.479 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.682 -5.637 2.340 1.00 0.00 C ATOM 1879 C ARG A 118 -11.952 -6.771 1.629 1.00 0.00 C ATOM 1880 O ARG A 118 -11.091 -7.408 2.221 1.00 0.00 O ATOM 1881 CB ARG A 118 -14.145 -5.930 2.796 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.935 -6.851 1.865 1.00 0.00 C ATOM 1883 CD ARG A 118 -16.392 -7.202 2.188 1.00 0.00 C ATOM 1884 NE ARG A 118 -17.280 -6.064 2.478 1.00 0.00 N ATOM 1885 CZ ARG A 118 -18.617 -6.181 2.560 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -19.227 -7.339 2.353 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -19.369 -5.139 2.875 1.00 0.00 N ATOM 0 H ARG A 118 -13.537 -4.220 1.078 1.00 0.00 H new ATOM 0 HA ARG A 118 -12.159 -5.480 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -14.118 -6.377 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.679 -4.984 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.923 -6.397 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.384 -7.789 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -16.807 -7.756 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.402 -7.873 3.047 1.00 0.00 H new ATOM 0 HE ARG A 118 -16.862 -5.145 2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -18.681 -8.170 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -20.243 -7.400 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -18.936 -4.234 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -20.382 -5.241 2.934 1.00 0.00 H new ATOM 1901 N GLU A 119 -12.248 -6.989 0.345 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.799 -8.187 -0.352 1.00 0.00 C ATOM 1903 C GLU A 119 -10.356 -8.005 -0.806 1.00 0.00 C ATOM 1904 O GLU A 119 -9.537 -8.910 -0.648 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.684 -8.484 -1.569 1.00 0.00 C ATOM 1906 CG GLU A 119 -14.189 -8.351 -1.333 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.848 -9.361 -0.384 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -14.188 -9.862 0.557 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -16.073 -9.547 -0.551 1.00 0.00 O ATOM 0 H GLU A 119 -12.797 -6.349 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.869 -9.028 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.399 -7.810 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.475 -9.498 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.382 -7.350 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.689 -8.421 -2.299 1.00 0.00 H new ATOM 1916 N THR A 120 -10.024 -6.830 -1.346 1.00 0.00 N ATOM 1917 CA THR A 120 -8.680 -6.496 -1.800 1.00 0.00 C ATOM 1918 C THR A 120 -7.664 -6.619 -0.658 1.00 0.00 C ATOM 1919 O THR A 120 -6.482 -6.858 -0.918 1.00 0.00 O ATOM 1920 CB THR A 120 -8.734 -5.133 -2.498 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.661 -5.269 -3.565 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.414 -4.651 -3.103 1.00 0.00 C ATOM 0 H THR A 120 -10.696 -6.074 -1.480 1.00 0.00 H new ATOM 0 HA THR A 120 -8.317 -7.210 -2.539 1.00 0.00 H new ATOM 0 HB THR A 120 -9.003 -4.398 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.413 -4.657 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.562 -3.678 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.664 -4.564 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.074 -5.367 -3.852 1.00 0.00 H new ATOM 1930 N ALA A 121 -8.099 -6.504 0.604 1.00 0.00 N ATOM 1931 CA ALA A 121 -7.226 -6.708 1.745 1.00 0.00 C ATOM 1932 C ALA A 121 -6.671 -8.139 1.764 1.00 0.00 C ATOM 1933 O ALA A 121 -5.489 -8.301 2.051 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.966 -6.305 3.025 1.00 0.00 C ATOM 0 H ALA A 121 -9.060 -6.268 0.851 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.348 -6.066 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.314 -6.457 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.250 -5.254 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.861 -6.917 3.136 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.475 -9.148 1.404 1.00 0.00 N ATOM 1941 CA HIS A 122 -7.031 -10.536 1.270 1.00 0.00 C ATOM 1942 C HIS A 122 -5.914 -10.609 0.225 1.00 0.00 C ATOM 1943 O HIS A 122 -4.820 -11.086 0.525 1.00 0.00 O ATOM 1944 CB HIS A 122 -8.188 -11.482 0.895 1.00 0.00 C ATOM 1945 CG HIS A 122 -9.339 -11.582 1.876 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -9.863 -12.745 2.410 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -10.151 -10.558 2.283 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -10.954 -12.420 3.126 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -11.185 -11.100 3.048 1.00 0.00 N ATOM 0 H HIS A 122 -8.465 -9.018 1.195 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.654 -10.869 2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.589 -11.162 -0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.776 -12.481 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -10.015 -9.512 2.052 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -11.558 -13.121 3.684 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.964 -10.592 3.466 1.00 0.00 H new ATOM 1957 N GLU A 123 -6.181 -10.085 -0.974 1.00 0.00 N ATOM 1958 CA GLU A 123 -5.265 -10.042 -2.115 1.00 0.00 C ATOM 1959 C GLU A 123 -3.913 -9.449 -1.712 1.00 0.00 C ATOM 1960 O GLU A 123 -2.854 -9.974 -2.049 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.924 -9.205 -3.236 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.267 -10.014 -4.487 1.00 0.00 C ATOM 1963 CD GLU A 123 -5.027 -10.315 -5.322 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.254 -11.221 -4.953 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -4.816 -9.621 -6.343 1.00 0.00 O ATOM 0 H GLU A 123 -7.084 -9.660 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.075 -11.054 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.835 -8.748 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.253 -8.392 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.745 -10.949 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.987 -9.462 -5.091 1.00 0.00 H new ATOM 1972 N THR A 124 -3.963 -8.348 -0.967 1.00 0.00 N ATOM 1973 CA THR A 124 -2.786 -7.614 -0.549 1.00 0.00 C ATOM 1974 C THR A 124 -1.892 -8.480 0.346 1.00 0.00 C ATOM 1975 O THR A 124 -0.680 -8.481 0.150 1.00 0.00 O ATOM 1976 CB THR A 124 -3.242 -6.328 0.145 1.00 0.00 C ATOM 1977 OG1 THR A 124 -4.069 -5.574 -0.719 1.00 0.00 O ATOM 1978 CG2 THR A 124 -2.077 -5.447 0.579 1.00 0.00 C ATOM 0 H THR A 124 -4.837 -7.940 -0.635 1.00 0.00 H new ATOM 0 HA THR A 124 -2.178 -7.347 -1.413 1.00 0.00 H new ATOM 0 HB THR A 124 -3.788 -6.638 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.984 -5.923 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 124 -2.461 -4.550 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.446 -5.996 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.490 -5.164 -0.295 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.445 -9.197 1.328 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.640 -9.992 2.258 1.00 0.00 C ATOM 1988 C ILE A 125 -0.899 -11.116 1.528 1.00 0.00 C ATOM 1989 O ILE A 125 0.257 -11.388 1.870 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.516 -10.484 3.429 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -3.050 -9.304 4.262 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.799 -11.447 4.384 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -2.012 -8.306 4.769 1.00 0.00 C ATOM 0 H ILE A 125 -3.449 -9.243 1.499 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.861 -9.365 2.692 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.331 -11.026 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.779 -8.762 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.585 -9.707 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.482 -11.746 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.473 -12.330 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.932 -10.950 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.509 -7.523 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.294 -8.821 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.491 -7.861 3.921 1.00 0.00 H new ATOM 2005 N SER A 126 -1.491 -11.689 0.477 1.00 0.00 N ATOM 2006 CA SER A 126 -0.757 -12.615 -0.388 1.00 0.00 C ATOM 2007 C SER A 126 0.524 -11.975 -0.948 1.00 0.00 C ATOM 2008 O SER A 126 1.548 -12.653 -1.019 1.00 0.00 O ATOM 2009 CB SER A 126 -1.631 -13.136 -1.533 1.00 0.00 C ATOM 2010 OG SER A 126 -2.769 -13.827 -1.048 1.00 0.00 O ATOM 0 H SER A 126 -2.462 -11.531 0.207 1.00 0.00 H new ATOM 0 HA SER A 126 -0.471 -13.462 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.950 -12.301 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.044 -13.801 -2.166 1.00 0.00 H new ATOM 0 HG SER A 126 -3.306 -14.145 -1.804 1.00 0.00 H new ATOM 2016 N ALA A 127 0.496 -10.692 -1.329 1.00 0.00 N ATOM 2017 CA ALA A 127 1.684 -10.000 -1.808 1.00 0.00 C ATOM 2018 C ALA A 127 2.633 -9.696 -0.647 1.00 0.00 C ATOM 2019 O ALA A 127 3.837 -9.913 -0.791 1.00 0.00 O ATOM 2020 CB ALA A 127 1.298 -8.724 -2.556 1.00 0.00 C ATOM 0 H ALA A 127 -0.345 -10.115 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 127 2.208 -10.652 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.199 -8.221 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.670 -8.979 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.750 -8.061 -1.886 1.00 0.00 H new ATOM 2026 N ILE A 128 2.133 -9.211 0.500 1.00 0.00 N ATOM 2027 CA ILE A 128 2.970 -8.879 1.659 1.00 0.00 C ATOM 2028 C ILE A 128 3.869 -10.064 2.029 1.00 0.00 C ATOM 2029 O ILE A 128 5.056 -9.861 2.290 1.00 0.00 O ATOM 2030 CB ILE A 128 2.133 -8.360 2.853 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.402 -7.046 2.492 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.060 -8.157 4.060 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.750 -6.325 3.680 1.00 0.00 C ATOM 0 H ILE A 128 1.139 -9.039 0.648 1.00 0.00 H new ATOM 0 HA ILE A 128 3.623 -8.052 1.381 1.00 0.00 H new ATOM 0 HB ILE A 128 1.368 -9.096 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.114 -6.369 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.633 -7.266 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.480 -7.791 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.528 -9.106 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.832 -7.430 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.262 -5.415 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.010 -6.979 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.514 -6.068 4.413 1.00 0.00 H new ATOM 2045 N PHE A 129 3.342 -11.287 1.984 1.00 0.00 N ATOM 2046 CA PHE A 129 4.081 -12.497 2.316 1.00 0.00 C ATOM 2047 C PHE A 129 4.403 -13.313 1.054 1.00 0.00 C ATOM 2048 O PHE A 129 4.550 -14.528 1.149 1.00 0.00 O ATOM 2049 CB PHE A 129 3.321 -13.268 3.407 1.00 0.00 C ATOM 2050 CG PHE A 129 3.165 -12.484 4.702 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.171 -12.533 5.688 1.00 0.00 C ATOM 2052 CD2 PHE A 129 2.023 -11.690 4.922 1.00 0.00 C ATOM 2053 CE1 PHE A 129 4.029 -11.806 6.882 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.887 -10.949 6.111 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.891 -11.008 7.092 1.00 0.00 C ATOM 0 H PHE A 129 2.375 -11.464 1.711 1.00 0.00 H new ATOM 0 HA PHE A 129 5.057 -12.249 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.333 -13.536 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.846 -14.200 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.055 -13.132 5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.246 -11.649 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.796 -11.860 7.640 1.00 0.00 H new ATOM 0 HE2 PHE A 129 1.012 -10.336 6.269 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.789 -10.441 8.006 1.00 0.00 H new ATOM 2065 N SER A 130 4.543 -12.665 -0.111 1.00 0.00 N ATOM 2066 CA SER A 130 5.064 -13.246 -1.346 1.00 0.00 C ATOM 2067 C SER A 130 6.481 -13.758 -1.067 1.00 0.00 C ATOM 2068 O SER A 130 7.442 -12.974 -1.043 1.00 0.00 O ATOM 2069 CB SER A 130 4.991 -12.206 -2.482 1.00 0.00 C ATOM 2070 OG SER A 130 5.529 -12.642 -3.723 1.00 0.00 O ATOM 0 H SER A 130 4.285 -11.684 -0.218 1.00 0.00 H new ATOM 0 HA SER A 130 4.466 -14.094 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.949 -11.925 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.521 -11.307 -2.168 1.00 0.00 H new ATOM 0 HG SER A 130 5.442 -11.926 -4.387 1.00 0.00 H new