USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.665 X(o=-0.67,f=-0.73) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= -0.08 (180deg=-1.51!) USER MOD Single : A 68 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.048) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 45:sc= 0.115 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= 0.0581 F(o=-0.54,f=0.058) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -1.83 F(o=-3.4!,f=-1.8) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 101:sc= -0.0421 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 37:sc= 0.0198 USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 -9.377 9.581 3.232 1.00 4.34 N ATOM 70 CA PHE A 6 -9.688 8.568 4.234 1.00 33.33 C ATOM 71 C PHE A 6 -8.673 7.430 4.189 1.00 31.31 C ATOM 72 O PHE A 6 -8.428 6.762 5.193 1.00 62.41 O ATOM 73 CB PHE A 6 -11.098 8.017 4.012 1.00 50.11 C ATOM 74 CG PHE A 6 -11.960 8.063 5.240 1.00 2.40 C ATOM 75 CD1 PHE A 6 -11.738 7.189 6.293 1.00 63.25 C ATOM 76 CD2 PHE A 6 -12.992 8.982 5.345 1.00 71.01 C ATOM 77 CE1 PHE A 6 -12.531 7.229 7.425 1.00 71.44 C ATOM 78 CE2 PHE A 6 -13.788 9.027 6.475 1.00 73.45 C ATOM 79 CZ PHE A 6 -13.555 8.150 7.516 1.00 74.05 C ATOM 0 HA PHE A 6 -9.639 9.037 5.217 1.00 33.33 H new ATOM 0 HB2 PHE A 6 -11.581 8.586 3.218 1.00 50.11 H new ATOM 0 HB3 PHE A 6 -11.026 6.986 3.667 1.00 50.11 H new ATOM 0 HD1 PHE A 6 -10.936 6.468 6.228 1.00 63.25 H new ATOM 0 HD2 PHE A 6 -13.177 9.671 4.534 1.00 71.01 H new ATOM 0 HE1 PHE A 6 -12.349 6.540 8.237 1.00 71.44 H new ATOM 0 HE2 PHE A 6 -14.590 9.747 6.543 1.00 73.45 H new ATOM 0 HZ PHE A 6 -14.174 8.185 8.401 1.00 74.05 H new ATOM 88 N TRP A 7 -8.086 7.215 3.017 1.00 31.11 N ATOM 89 CA TRP A 7 -7.097 6.157 2.840 1.00 61.51 C ATOM 90 C TRP A 7 -5.684 6.693 3.044 1.00 33.22 C ATOM 91 O TRP A 7 -4.714 5.935 3.027 1.00 73.32 O ATOM 92 CB TRP A 7 -7.225 5.540 1.446 1.00 32.40 C ATOM 93 CG TRP A 7 -8.176 4.381 1.395 1.00 43.25 C ATOM 94 CD1 TRP A 7 -8.052 3.190 2.050 1.00 2.15 C ATOM 95 CD2 TRP A 7 -9.394 4.305 0.646 1.00 25.31 C ATOM 96 NE1 TRP A 7 -9.119 2.377 1.754 1.00 2.12 N ATOM 97 CE2 TRP A 7 -9.957 3.038 0.896 1.00 51.21 C ATOM 98 CE3 TRP A 7 -10.064 5.184 -0.208 1.00 52.23 C ATOM 99 CZ2 TRP A 7 -11.158 2.632 0.319 1.00 20.13 C ATOM 100 CZ3 TRP A 7 -11.255 4.779 -0.780 1.00 53.11 C ATOM 101 CH2 TRP A 7 -11.792 3.513 -0.514 1.00 35.15 C ATOM 0 H TRP A 7 -8.277 7.759 2.175 1.00 31.11 H new ATOM 0 HA TRP A 7 -7.286 5.388 3.589 1.00 61.51 H new ATOM 0 HB2 TRP A 7 -7.559 6.306 0.746 1.00 32.40 H new ATOM 0 HB3 TRP A 7 -6.242 5.209 1.111 1.00 32.40 H new ATOM 0 HD1 TRP A 7 -7.235 2.926 2.705 1.00 2.15 H new ATOM 0 HE1 TRP A 7 -9.264 1.434 2.115 1.00 2.12 H new ATOM 0 HE3 TRP A 7 -9.658 6.163 -0.418 1.00 52.23 H new ATOM 0 HZ2 TRP A 7 -11.574 1.656 0.522 1.00 20.13 H new ATOM 0 HZ3 TRP A 7 -11.781 5.450 -1.443 1.00 53.11 H new ATOM 0 HH2 TRP A 7 -12.725 3.226 -0.976 1.00 35.15 H new ATOM 111 N TYR A 8 -5.575 8.003 3.236 1.00 2.45 N ATOM 112 CA TYR A 8 -4.280 8.639 3.442 1.00 63.44 C ATOM 113 C TYR A 8 -4.163 9.193 4.860 1.00 72.22 C ATOM 114 O TYR A 8 -4.829 10.165 5.216 1.00 43.03 O ATOM 115 CB TYR A 8 -4.074 9.764 2.425 1.00 5.02 C ATOM 116 CG TYR A 8 -2.646 10.257 2.349 1.00 75.03 C ATOM 117 CD1 TYR A 8 -2.094 11.011 3.377 1.00 55.05 C ATOM 118 CD2 TYR A 8 -1.849 9.967 1.248 1.00 13.15 C ATOM 119 CE1 TYR A 8 -0.792 11.464 3.310 1.00 62.23 C ATOM 120 CE2 TYR A 8 -0.545 10.414 1.173 1.00 30.11 C ATOM 121 CZ TYR A 8 -0.020 11.163 2.207 1.00 31.21 C ATOM 122 OH TYR A 8 1.279 11.611 2.137 1.00 71.22 O ATOM 0 H TYR A 8 -6.368 8.645 3.253 1.00 2.45 H new ATOM 0 HA TYR A 8 -3.507 7.884 3.302 1.00 63.44 H new ATOM 0 HB2 TYR A 8 -4.381 9.413 1.440 1.00 5.02 H new ATOM 0 HB3 TYR A 8 -4.725 10.599 2.683 1.00 5.02 H new ATOM 0 HD1 TYR A 8 -2.694 11.247 4.243 1.00 55.05 H new ATOM 0 HD2 TYR A 8 -2.257 9.382 0.437 1.00 13.15 H new ATOM 0 HE1 TYR A 8 -0.380 12.051 4.117 1.00 62.23 H new ATOM 0 HE2 TYR A 8 0.061 10.179 0.310 1.00 30.11 H new ATOM 0 HH TYR A 8 1.684 11.311 1.296 1.00 71.22 H new ATOM 131 N LYS A 9 -3.311 8.566 5.663 1.00 14.33 N ATOM 132 CA LYS A 9 -3.103 8.993 7.042 1.00 14.32 C ATOM 133 C LYS A 9 -1.629 8.909 7.421 1.00 2.31 C ATOM 134 O LYS A 9 -1.055 7.827 7.541 1.00 32.43 O ATOM 135 CB LYS A 9 -3.936 8.134 7.995 1.00 15.05 C ATOM 136 CG LYS A 9 -5.398 8.537 8.060 1.00 53.53 C ATOM 137 CD LYS A 9 -5.568 9.927 8.652 1.00 62.11 C ATOM 138 CE LYS A 9 -6.832 10.024 9.491 1.00 3.50 C ATOM 139 NZ LYS A 9 -8.000 10.475 8.685 1.00 43.44 N ATOM 0 H LYS A 9 -2.753 7.760 5.383 1.00 14.33 H new ATOM 0 HA LYS A 9 -3.423 10.032 7.126 1.00 14.32 H new ATOM 0 HB2 LYS A 9 -3.869 7.092 7.683 1.00 15.05 H new ATOM 0 HB3 LYS A 9 -3.507 8.196 8.995 1.00 15.05 H new ATOM 0 HG2 LYS A 9 -5.828 8.512 7.059 1.00 53.53 H new ATOM 0 HG3 LYS A 9 -5.949 7.814 8.662 1.00 53.53 H new ATOM 0 HD2 LYS A 9 -4.702 10.170 9.268 1.00 62.11 H new ATOM 0 HD3 LYS A 9 -5.605 10.663 7.849 1.00 62.11 H new ATOM 0 HE2 LYS A 9 -7.050 9.052 9.933 1.00 3.50 H new ATOM 0 HE3 LYS A 9 -6.669 10.719 10.314 1.00 3.50 H new ATOM 0 HZ1 LYS A 9 -8.842 10.528 9.293 1.00 43.44 H new ATOM 0 HZ2 LYS A 9 -7.803 11.414 8.284 1.00 43.44 H new ATOM 0 HZ3 LYS A 9 -8.172 9.798 7.914 1.00 43.44 H new ATOM 149 N PRO A 10 -0.999 10.078 7.616 1.00 54.31 N ATOM 150 CA PRO A 10 0.416 10.162 7.986 1.00 41.22 C ATOM 151 C PRO A 10 0.674 9.675 9.408 1.00 54.54 C ATOM 152 O PRO A 10 1.708 9.071 9.690 1.00 21.54 O ATOM 153 CB PRO A 10 0.724 11.657 7.870 1.00 65.12 C ATOM 154 CG PRO A 10 -0.588 12.331 8.070 1.00 52.14 C ATOM 155 CD PRO A 10 -1.622 11.406 7.490 1.00 60.21 C ATOM 0 HA PRO A 10 1.041 9.533 7.352 1.00 41.22 H new ATOM 0 HB2 PRO A 10 1.449 11.971 8.621 1.00 65.12 H new ATOM 0 HB3 PRO A 10 1.149 11.899 6.896 1.00 65.12 H new ATOM 0 HG2 PRO A 10 -0.776 12.512 9.128 1.00 52.14 H new ATOM 0 HG3 PRO A 10 -0.609 13.300 7.572 1.00 52.14 H new ATOM 0 HD2 PRO A 10 -2.563 11.462 8.037 1.00 60.21 H new ATOM 0 HD3 PRO A 10 -1.842 11.650 6.451 1.00 60.21 H new ATOM 160 N HIS A 11 -0.275 9.941 10.301 1.00 55.20 N ATOM 161 CA HIS A 11 -0.152 9.527 11.694 1.00 64.24 C ATOM 162 C HIS A 11 -0.503 8.052 11.856 1.00 1.21 C ATOM 163 O HIS A 11 -0.082 7.404 12.817 1.00 62.12 O ATOM 164 CB HIS A 11 -1.056 10.381 12.584 1.00 31.34 C ATOM 165 CG HIS A 11 -0.317 11.125 13.652 1.00 22.15 C ATOM 166 ND1 HIS A 11 0.415 12.267 13.405 1.00 61.24 N ATOM 167 CD2 HIS A 11 -0.199 10.884 14.979 1.00 50.14 C ATOM 168 CE1 HIS A 11 0.951 12.697 14.533 1.00 22.33 C ATOM 169 NE2 HIS A 11 0.593 11.875 15.504 1.00 21.00 N ATOM 0 H HIS A 11 -1.137 10.441 10.084 1.00 55.20 H new ATOM 0 HA HIS A 11 0.884 9.670 11.999 1.00 64.24 H new ATOM 0 HB2 HIS A 11 -1.594 11.096 11.961 1.00 31.34 H new ATOM 0 HB3 HIS A 11 -1.803 9.739 13.051 1.00 31.34 H new ATOM 0 HD2 HIS A 11 -0.645 10.065 15.523 1.00 50.14 H new ATOM 0 HE1 HIS A 11 1.575 13.571 14.643 1.00 22.33 H new ATOM 0 HE2 HIS A 11 0.861 11.963 16.484 1.00 21.00 H new ATOM 176 N LEU A 12 -1.277 7.526 10.914 1.00 70.40 N ATOM 177 CA LEU A 12 -1.686 6.126 10.952 1.00 55.20 C ATOM 178 C LEU A 12 -0.481 5.212 11.147 1.00 21.12 C ATOM 179 O LEU A 12 0.564 5.405 10.527 1.00 62.22 O ATOM 180 CB LEU A 12 -2.420 5.753 9.664 1.00 73.13 C ATOM 181 CG LEU A 12 -2.659 4.261 9.434 1.00 24.43 C ATOM 182 CD1 LEU A 12 -3.988 4.034 8.730 1.00 22.14 C ATOM 183 CD2 LEU A 12 -1.517 3.655 8.630 1.00 3.11 C ATOM 0 H LEU A 12 -1.634 8.048 10.114 1.00 70.40 H new ATOM 0 HA LEU A 12 -2.360 5.993 11.798 1.00 55.20 H new ATOM 0 HB2 LEU A 12 -3.385 6.260 9.660 1.00 73.13 H new ATOM 0 HB3 LEU A 12 -1.852 6.144 8.820 1.00 73.13 H new ATOM 0 HG LEU A 12 -2.697 3.766 10.404 1.00 24.43 H new ATOM 0 HD11 LEU A 12 -4.140 2.966 8.575 1.00 22.14 H new ATOM 0 HD12 LEU A 12 -4.797 4.430 9.343 1.00 22.14 H new ATOM 0 HD13 LEU A 12 -3.981 4.543 7.766 1.00 22.14 H new ATOM 0 HD21 LEU A 12 -1.704 2.592 8.476 1.00 3.11 H new ATOM 0 HD22 LEU A 12 -1.447 4.155 7.664 1.00 3.11 H new ATOM 0 HD23 LEU A 12 -0.581 3.783 9.174 1.00 3.11 H new ATOM 194 N SER A 13 -0.635 4.214 12.013 1.00 72.24 N ATOM 195 CA SER A 13 0.441 3.271 12.290 1.00 33.11 C ATOM 196 C SER A 13 0.318 2.031 11.408 1.00 42.43 C ATOM 197 O SER A 13 -0.752 1.740 10.875 1.00 11.02 O ATOM 198 CB SER A 13 0.423 2.864 13.765 1.00 11.43 C ATOM 199 OG SER A 13 -0.506 3.645 14.498 1.00 64.22 O ATOM 0 H SER A 13 -1.494 4.039 12.534 1.00 72.24 H new ATOM 0 HA SER A 13 1.388 3.762 12.066 1.00 33.11 H new ATOM 0 HB2 SER A 13 0.164 1.809 13.851 1.00 11.43 H new ATOM 0 HB3 SER A 13 1.419 2.983 14.191 1.00 11.43 H new ATOM 0 HG SER A 13 -0.500 3.365 15.437 1.00 64.22 H new ATOM 204 N ARG A 14 1.422 1.306 11.261 1.00 1.12 N ATOM 205 CA ARG A 14 1.439 0.099 10.443 1.00 10.41 C ATOM 206 C ARG A 14 0.356 -0.879 10.893 1.00 45.12 C ATOM 207 O ARG A 14 -0.405 -1.395 10.076 1.00 31.34 O ATOM 208 CB ARG A 14 2.811 -0.573 10.518 1.00 60.41 C ATOM 209 CG ARG A 14 3.928 0.252 9.900 1.00 30.25 C ATOM 210 CD ARG A 14 5.249 0.030 10.621 1.00 34.33 C ATOM 211 NE ARG A 14 6.392 0.169 9.723 1.00 30.10 N ATOM 212 CZ ARG A 14 7.595 -0.331 9.982 1.00 21.15 C ATOM 213 NH1 ARG A 14 7.810 -1.001 11.106 1.00 71.33 N ATOM 214 NH2 ARG A 14 8.585 -0.163 9.115 1.00 23.04 N ATOM 0 H ARG A 14 2.316 1.533 11.697 1.00 1.12 H new ATOM 0 HA ARG A 14 1.238 0.387 9.411 1.00 10.41 H new ATOM 0 HB2 ARG A 14 3.052 -0.771 11.562 1.00 60.41 H new ATOM 0 HB3 ARG A 14 2.762 -1.538 10.013 1.00 60.41 H new ATOM 0 HG2 ARG A 14 4.038 -0.012 8.848 1.00 30.25 H new ATOM 0 HG3 ARG A 14 3.665 1.309 9.938 1.00 30.25 H new ATOM 0 HD2 ARG A 14 5.341 0.745 11.438 1.00 34.33 H new ATOM 0 HD3 ARG A 14 5.256 -0.965 11.066 1.00 34.33 H new ATOM 0 HE ARG A 14 6.259 0.678 8.849 1.00 30.10 H new ATOM 0 HH11 ARG A 14 7.051 -1.133 11.774 1.00 71.33 H new ATOM 0 HH12 ARG A 14 8.735 -1.384 11.303 1.00 71.33 H new ATOM 0 HH21 ARG A 14 8.423 0.350 8.249 1.00 23.04 H new ATOM 0 HH22 ARG A 14 9.509 -0.547 9.315 1.00 23.04 H new ATOM 225 N ASP A 15 0.296 -1.126 12.197 1.00 21.24 N ATOM 226 CA ASP A 15 -0.693 -2.041 12.756 1.00 4.20 C ATOM 227 C ASP A 15 -2.107 -1.612 12.373 1.00 24.50 C ATOM 228 O ASP A 15 -2.943 -2.444 12.022 1.00 31.34 O ATOM 229 CB ASP A 15 -0.560 -2.101 14.278 1.00 5.13 C ATOM 230 CG ASP A 15 -0.717 -3.509 14.818 1.00 61.30 C ATOM 231 OD1 ASP A 15 -0.047 -4.423 14.292 1.00 3.22 O ATOM 232 OD2 ASP A 15 -1.509 -3.697 15.765 1.00 24.44 O ATOM 0 H ASP A 15 0.920 -0.706 12.886 1.00 21.24 H new ATOM 0 HA ASP A 15 -0.509 -3.033 12.344 1.00 4.20 H new ATOM 0 HB2 ASP A 15 0.414 -1.709 14.570 1.00 5.13 H new ATOM 0 HB3 ASP A 15 -1.312 -1.455 14.731 1.00 5.13 H new ATOM 236 N GLN A 16 -2.365 -0.311 12.445 1.00 52.44 N ATOM 237 CA GLN A 16 -3.678 0.227 12.108 1.00 33.43 C ATOM 238 C GLN A 16 -4.013 -0.035 10.643 1.00 10.51 C ATOM 239 O GLN A 16 -5.143 -0.391 10.309 1.00 44.44 O ATOM 240 CB GLN A 16 -3.727 1.728 12.394 1.00 12.11 C ATOM 241 CG GLN A 16 -4.417 2.076 13.703 1.00 51.51 C ATOM 242 CD GLN A 16 -5.248 3.341 13.607 1.00 34.14 C ATOM 243 OE1 GLN A 16 -4.712 4.440 13.470 1.00 70.01 O ATOM 244 NE2 GLN A 16 -6.565 3.190 13.678 1.00 52.14 N ATOM 0 H GLN A 16 -1.683 0.390 12.733 1.00 52.44 H new ATOM 0 HA GLN A 16 -4.419 -0.277 12.728 1.00 33.43 H new ATOM 0 HB2 GLN A 16 -2.710 2.119 12.414 1.00 12.11 H new ATOM 0 HB3 GLN A 16 -4.245 2.229 11.576 1.00 12.11 H new ATOM 0 HG2 GLN A 16 -5.058 1.247 14.003 1.00 51.51 H new ATOM 0 HG3 GLN A 16 -3.666 2.197 14.484 1.00 51.51 H new ATOM 0 HE21 GLN A 16 -6.966 2.259 13.792 1.00 52.14 H new ATOM 0 HE22 GLN A 16 -7.176 4.005 13.619 1.00 52.14 H new ATOM 251 N ALA A 17 -3.024 0.144 9.774 1.00 11.11 N ATOM 252 CA ALA A 17 -3.214 -0.074 8.346 1.00 73.34 C ATOM 253 C ALA A 17 -3.536 -1.536 8.051 1.00 1.40 C ATOM 254 O ALA A 17 -4.388 -1.837 7.215 1.00 61.43 O ATOM 255 CB ALA A 17 -1.975 0.361 7.576 1.00 32.23 C ATOM 0 H ALA A 17 -2.083 0.439 10.034 1.00 11.11 H new ATOM 0 HA ALA A 17 -4.061 0.530 8.021 1.00 73.34 H new ATOM 0 HB1 ALA A 17 -2.131 0.192 6.510 1.00 32.23 H new ATOM 0 HB2 ALA A 17 -1.790 1.421 7.753 1.00 32.23 H new ATOM 0 HB3 ALA A 17 -1.115 -0.218 7.913 1.00 32.23 H new ATOM 261 N ILE A 18 -2.850 -2.439 8.743 1.00 63.44 N ATOM 262 CA ILE A 18 -3.064 -3.868 8.556 1.00 72.11 C ATOM 263 C ILE A 18 -4.465 -4.276 8.997 1.00 35.20 C ATOM 264 O ILE A 18 -5.130 -5.069 8.329 1.00 52.34 O ATOM 265 CB ILE A 18 -2.030 -4.700 9.337 1.00 3.14 C ATOM 266 CG1 ILE A 18 -0.611 -4.340 8.890 1.00 52.31 C ATOM 267 CG2 ILE A 18 -2.290 -6.187 9.145 1.00 41.15 C ATOM 268 CD1 ILE A 18 0.456 -4.743 9.883 1.00 21.53 C ATOM 0 H ILE A 18 -2.141 -2.206 9.438 1.00 63.44 H new ATOM 0 HA ILE A 18 -2.948 -4.067 7.491 1.00 72.11 H new ATOM 0 HB ILE A 18 -2.127 -4.469 10.398 1.00 3.14 H new ATOM 0 HG12 ILE A 18 -0.407 -4.822 7.934 1.00 52.31 H new ATOM 0 HG13 ILE A 18 -0.553 -3.264 8.723 1.00 52.31 H new ATOM 0 HG21 ILE A 18 -1.550 -6.761 9.704 1.00 41.15 H new ATOM 0 HG22 ILE A 18 -3.288 -6.432 9.508 1.00 41.15 H new ATOM 0 HG23 ILE A 18 -2.218 -6.435 8.086 1.00 41.15 H new ATOM 0 HD11 ILE A 18 1.436 -4.457 9.500 1.00 21.53 H new ATOM 0 HD12 ILE A 18 0.277 -4.241 10.834 1.00 21.53 H new ATOM 0 HD13 ILE A 18 0.426 -5.822 10.032 1.00 21.53 H new ATOM 279 N ALA A 19 -4.908 -3.729 10.123 1.00 50.20 N ATOM 280 CA ALA A 19 -6.233 -4.034 10.651 1.00 45.14 C ATOM 281 C ALA A 19 -7.326 -3.489 9.739 1.00 43.32 C ATOM 282 O ALA A 19 -8.376 -4.109 9.572 1.00 30.23 O ATOM 283 CB ALA A 19 -6.383 -3.467 12.055 1.00 12.23 C ATOM 0 H ALA A 19 -4.370 -3.072 10.688 1.00 50.20 H new ATOM 0 HA ALA A 19 -6.340 -5.118 10.694 1.00 45.14 H new ATOM 0 HB1 ALA A 19 -7.376 -3.701 12.438 1.00 12.23 H new ATOM 0 HB2 ALA A 19 -5.629 -3.907 12.708 1.00 12.23 H new ATOM 0 HB3 ALA A 19 -6.251 -2.385 12.027 1.00 12.23 H new ATOM 289 N LEU A 20 -7.073 -2.324 9.151 1.00 23.10 N ATOM 290 CA LEU A 20 -8.037 -1.693 8.256 1.00 75.50 C ATOM 291 C LEU A 20 -8.110 -2.436 6.925 1.00 61.31 C ATOM 292 O LEU A 20 -9.158 -2.476 6.280 1.00 63.35 O ATOM 293 CB LEU A 20 -7.660 -0.230 8.017 1.00 34.12 C ATOM 294 CG LEU A 20 -8.780 0.791 8.215 1.00 53.24 C ATOM 295 CD1 LEU A 20 -9.111 0.940 9.692 1.00 54.45 C ATOM 296 CD2 LEU A 20 -8.389 2.135 7.616 1.00 22.43 C ATOM 0 H LEU A 20 -6.209 -1.798 9.278 1.00 23.10 H new ATOM 0 HA LEU A 20 -9.018 -1.735 8.730 1.00 75.50 H new ATOM 0 HB2 LEU A 20 -6.839 0.027 8.686 1.00 34.12 H new ATOM 0 HB3 LEU A 20 -7.284 -0.134 6.999 1.00 34.12 H new ATOM 0 HG LEU A 20 -9.670 0.431 7.699 1.00 53.24 H new ATOM 0 HD11 LEU A 20 -9.910 1.671 9.814 1.00 54.45 H new ATOM 0 HD12 LEU A 20 -9.434 -0.021 10.091 1.00 54.45 H new ATOM 0 HD13 LEU A 20 -8.226 1.277 10.231 1.00 54.45 H new ATOM 0 HD21 LEU A 20 -9.198 2.850 7.766 1.00 22.43 H new ATOM 0 HD22 LEU A 20 -7.486 2.502 8.104 1.00 22.43 H new ATOM 0 HD23 LEU A 20 -8.203 2.017 6.549 1.00 22.43 H new ATOM 307 N LEU A 21 -6.989 -3.024 6.520 1.00 51.12 N ATOM 308 CA LEU A 21 -6.926 -3.768 5.267 1.00 71.41 C ATOM 309 C LEU A 21 -7.601 -5.128 5.405 1.00 1.13 C ATOM 310 O LEU A 21 -8.318 -5.572 4.508 1.00 35.13 O ATOM 311 CB LEU A 21 -5.470 -3.951 4.833 1.00 60.11 C ATOM 312 CG LEU A 21 -4.846 -2.783 4.068 1.00 3.30 C ATOM 313 CD1 LEU A 21 -3.382 -3.064 3.766 1.00 3.43 C ATOM 314 CD2 LEU A 21 -5.615 -2.513 2.784 1.00 1.02 C ATOM 0 H LEU A 21 -6.112 -3.000 7.041 1.00 51.12 H new ATOM 0 HA LEU A 21 -7.457 -3.195 4.507 1.00 71.41 H new ATOM 0 HB2 LEU A 21 -4.868 -4.140 5.722 1.00 60.11 H new ATOM 0 HB3 LEU A 21 -5.407 -4.843 4.209 1.00 60.11 H new ATOM 0 HG LEU A 21 -4.902 -1.893 4.695 1.00 3.30 H new ATOM 0 HD11 LEU A 21 -2.955 -2.222 3.221 1.00 3.43 H new ATOM 0 HD12 LEU A 21 -2.838 -3.205 4.700 1.00 3.43 H new ATOM 0 HD13 LEU A 21 -3.302 -3.966 3.160 1.00 3.43 H new ATOM 0 HD21 LEU A 21 -5.156 -1.679 2.254 1.00 1.02 H new ATOM 0 HD22 LEU A 21 -5.592 -3.401 2.153 1.00 1.02 H new ATOM 0 HD23 LEU A 21 -6.649 -2.265 3.024 1.00 1.02 H new ATOM 325 N LYS A 22 -7.370 -5.785 6.537 1.00 23.32 N ATOM 326 CA LYS A 22 -7.958 -7.094 6.797 1.00 74.25 C ATOM 327 C LYS A 22 -9.453 -6.973 7.071 1.00 13.44 C ATOM 328 O LYS A 22 -10.176 -7.970 7.075 1.00 51.03 O ATOM 329 CB LYS A 22 -7.262 -7.762 7.984 1.00 12.24 C ATOM 330 CG LYS A 22 -7.655 -7.175 9.328 1.00 44.44 C ATOM 331 CD LYS A 22 -6.987 -7.913 10.476 1.00 5.14 C ATOM 332 CE LYS A 22 -5.473 -7.776 10.422 1.00 72.01 C ATOM 333 NZ LYS A 22 -4.829 -8.229 11.686 1.00 72.50 N ATOM 0 H LYS A 22 -6.779 -5.432 7.290 1.00 23.32 H new ATOM 0 HA LYS A 22 -7.818 -7.711 5.909 1.00 74.25 H new ATOM 0 HB2 LYS A 22 -7.496 -8.827 7.980 1.00 12.24 H new ATOM 0 HB3 LYS A 22 -6.183 -7.672 7.859 1.00 12.24 H new ATOM 0 HG2 LYS A 22 -7.377 -6.121 9.361 1.00 44.44 H new ATOM 0 HG3 LYS A 22 -8.738 -7.223 9.444 1.00 44.44 H new ATOM 0 HD2 LYS A 22 -7.355 -7.522 11.424 1.00 5.14 H new ATOM 0 HD3 LYS A 22 -7.259 -8.968 10.439 1.00 5.14 H new ATOM 0 HE2 LYS A 22 -5.085 -8.360 9.587 1.00 72.01 H new ATOM 0 HE3 LYS A 22 -5.209 -6.735 10.233 1.00 72.01 H new ATOM 0 HZ1 LYS A 22 -3.798 -8.120 11.609 1.00 72.50 H new ATOM 0 HZ2 LYS A 22 -5.180 -7.655 12.479 1.00 72.50 H new ATOM 0 HZ3 LYS A 22 -5.059 -9.229 11.854 1.00 72.50 H new ATOM 343 N ASP A 23 -9.910 -5.748 7.301 1.00 41.30 N ATOM 344 CA ASP A 23 -11.320 -5.496 7.576 1.00 52.24 C ATOM 345 C ASP A 23 -11.980 -4.767 6.408 1.00 34.24 C ATOM 346 O ASP A 23 -13.140 -4.364 6.489 1.00 24.11 O ATOM 347 CB ASP A 23 -11.475 -4.676 8.857 1.00 61.12 C ATOM 348 CG ASP A 23 -12.871 -4.771 9.440 1.00 1.42 C ATOM 349 OD1 ASP A 23 -13.220 -5.845 9.972 1.00 1.04 O ATOM 350 OD2 ASP A 23 -13.616 -3.771 9.364 1.00 2.21 O ATOM 0 H ASP A 23 -9.325 -4.913 7.303 1.00 41.30 H new ATOM 0 HA ASP A 23 -11.815 -6.458 7.708 1.00 52.24 H new ATOM 0 HB2 ASP A 23 -10.752 -5.021 9.596 1.00 61.12 H new ATOM 0 HB3 ASP A 23 -11.242 -3.632 8.647 1.00 61.12 H new ATOM 354 N LYS A 24 -11.231 -4.603 5.323 1.00 52.33 N ATOM 355 CA LYS A 24 -11.742 -3.923 4.138 1.00 71.13 C ATOM 356 C LYS A 24 -11.717 -4.850 2.927 1.00 54.03 C ATOM 357 O LYS A 24 -11.005 -5.854 2.915 1.00 41.13 O ATOM 358 CB LYS A 24 -10.916 -2.667 3.849 1.00 21.43 C ATOM 359 CG LYS A 24 -11.360 -1.452 4.644 1.00 62.11 C ATOM 360 CD LYS A 24 -12.685 -0.908 4.138 1.00 31.40 C ATOM 361 CE LYS A 24 -13.200 0.216 5.023 1.00 40.53 C ATOM 362 NZ LYS A 24 -14.143 1.109 4.294 1.00 75.22 N ATOM 0 H LYS A 24 -10.269 -4.931 5.239 1.00 52.33 H new ATOM 0 HA LYS A 24 -12.775 -3.634 4.332 1.00 71.13 H new ATOM 0 HB2 LYS A 24 -9.868 -2.872 4.070 1.00 21.43 H new ATOM 0 HB3 LYS A 24 -10.979 -2.438 2.785 1.00 21.43 H new ATOM 0 HG2 LYS A 24 -11.454 -1.719 5.697 1.00 62.11 H new ATOM 0 HG3 LYS A 24 -10.598 -0.675 4.579 1.00 62.11 H new ATOM 0 HD2 LYS A 24 -12.564 -0.543 3.118 1.00 31.40 H new ATOM 0 HD3 LYS A 24 -13.420 -1.712 4.104 1.00 31.40 H new ATOM 0 HE2 LYS A 24 -13.701 -0.208 5.893 1.00 40.53 H new ATOM 0 HE3 LYS A 24 -12.358 0.801 5.393 1.00 40.53 H new ATOM 0 HZ1 LYS A 24 -14.471 1.862 4.932 1.00 75.22 H new ATOM 0 HZ2 LYS A 24 -13.658 1.534 3.478 1.00 75.22 H new ATOM 0 HZ3 LYS A 24 -14.959 0.556 3.963 1.00 75.22 H new ATOM 372 N ASP A 25 -12.498 -4.505 1.908 1.00 35.45 N ATOM 373 CA ASP A 25 -12.564 -5.305 0.691 1.00 31.34 C ATOM 374 C ASP A 25 -11.173 -5.509 0.098 1.00 12.31 C ATOM 375 O ASP A 25 -10.251 -4.727 0.332 1.00 0.33 O ATOM 376 CB ASP A 25 -13.476 -4.635 -0.338 1.00 3.42 C ATOM 377 CG ASP A 25 -14.907 -5.128 -0.250 1.00 54.23 C ATOM 378 OD1 ASP A 25 -15.106 -6.335 0.003 1.00 25.51 O ATOM 379 OD2 ASP A 25 -15.829 -4.306 -0.434 1.00 74.04 O ATOM 0 H ASP A 25 -13.094 -3.677 1.901 1.00 35.45 H new ATOM 0 HA ASP A 25 -12.976 -6.280 0.950 1.00 31.34 H new ATOM 0 HB2 ASP A 25 -13.457 -3.556 -0.188 1.00 3.42 H new ATOM 0 HB3 ASP A 25 -13.090 -4.825 -1.340 1.00 3.42 H new ATOM 383 N PRO A 26 -11.016 -6.586 -0.687 1.00 62.10 N ATOM 384 CA PRO A 26 -9.740 -6.918 -1.328 1.00 4.21 C ATOM 385 C PRO A 26 -9.375 -5.934 -2.435 1.00 32.55 C ATOM 386 O PRO A 26 -10.243 -5.446 -3.155 1.00 53.33 O ATOM 387 CB PRO A 26 -9.988 -8.312 -1.911 1.00 4.33 C ATOM 388 CG PRO A 26 -11.462 -8.381 -2.113 1.00 1.53 C ATOM 389 CD PRO A 26 -12.071 -7.562 -1.008 1.00 63.45 C ATOM 0 HA PRO A 26 -8.908 -6.877 -0.626 1.00 4.21 H new ATOM 0 HB2 PRO A 26 -9.453 -8.449 -2.851 1.00 4.33 H new ATOM 0 HB3 PRO A 26 -9.645 -9.092 -1.232 1.00 4.33 H new ATOM 0 HG2 PRO A 26 -11.741 -7.986 -3.090 1.00 1.53 H new ATOM 0 HG3 PRO A 26 -11.813 -9.412 -2.074 1.00 1.53 H new ATOM 0 HD2 PRO A 26 -12.989 -7.070 -1.331 1.00 63.45 H new ATOM 0 HD3 PRO A 26 -12.326 -8.177 -0.145 1.00 63.45 H new ATOM 394 N GLY A 27 -8.082 -5.651 -2.566 1.00 34.41 N ATOM 395 CA GLY A 27 -7.626 -4.728 -3.589 1.00 3.24 C ATOM 396 C GLY A 27 -7.435 -3.322 -3.057 1.00 44.24 C ATOM 397 O GLY A 27 -6.748 -2.506 -3.672 1.00 14.43 O ATOM 0 H GLY A 27 -7.343 -6.044 -1.983 1.00 34.41 H new ATOM 0 HA2 GLY A 27 -6.684 -5.087 -4.004 1.00 3.24 H new ATOM 0 HA3 GLY A 27 -8.348 -4.709 -4.405 1.00 3.24 H new ATOM 401 N ALA A 28 -8.045 -3.036 -1.911 1.00 31.51 N ATOM 402 CA ALA A 28 -7.939 -1.719 -1.297 1.00 43.11 C ATOM 403 C ALA A 28 -6.534 -1.479 -0.752 1.00 54.42 C ATOM 404 O ALA A 28 -5.849 -2.414 -0.340 1.00 13.43 O ATOM 405 CB ALA A 28 -8.970 -1.569 -0.188 1.00 43.31 C ATOM 0 H ALA A 28 -8.618 -3.700 -1.389 1.00 31.51 H new ATOM 0 HA ALA A 28 -8.136 -0.970 -2.065 1.00 43.11 H new ATOM 0 HB1 ALA A 28 -8.879 -0.580 0.262 1.00 43.31 H new ATOM 0 HB2 ALA A 28 -9.971 -1.688 -0.603 1.00 43.31 H new ATOM 0 HB3 ALA A 28 -8.800 -2.331 0.573 1.00 43.31 H new ATOM 411 N PHE A 29 -6.112 -0.219 -0.754 1.00 62.34 N ATOM 412 CA PHE A 29 -4.789 0.144 -0.262 1.00 25.41 C ATOM 413 C PHE A 29 -4.834 1.468 0.495 1.00 22.13 C ATOM 414 O PHE A 29 -5.837 2.181 0.462 1.00 24.11 O ATOM 415 CB PHE A 29 -3.798 0.242 -1.424 1.00 3.01 C ATOM 416 CG PHE A 29 -3.989 1.466 -2.274 1.00 15.33 C ATOM 417 CD1 PHE A 29 -4.841 1.441 -3.367 1.00 2.14 C ATOM 418 CD2 PHE A 29 -3.318 2.642 -1.980 1.00 4.01 C ATOM 419 CE1 PHE A 29 -5.020 2.565 -4.150 1.00 62.11 C ATOM 420 CE2 PHE A 29 -3.493 3.770 -2.759 1.00 34.00 C ATOM 421 CZ PHE A 29 -4.344 3.731 -3.846 1.00 72.51 C ATOM 0 H PHE A 29 -6.667 0.568 -1.091 1.00 62.34 H new ATOM 0 HA PHE A 29 -4.458 -0.636 0.424 1.00 25.41 H new ATOM 0 HB2 PHE A 29 -2.783 0.240 -1.026 1.00 3.01 H new ATOM 0 HB3 PHE A 29 -3.896 -0.645 -2.051 1.00 3.01 H new ATOM 0 HD1 PHE A 29 -5.371 0.532 -3.609 1.00 2.14 H new ATOM 0 HD2 PHE A 29 -2.650 2.678 -1.132 1.00 4.01 H new ATOM 0 HE1 PHE A 29 -5.687 2.532 -4.999 1.00 62.11 H new ATOM 0 HE2 PHE A 29 -2.965 4.681 -2.518 1.00 34.00 H new ATOM 0 HZ PHE A 29 -4.481 4.611 -4.458 1.00 72.51 H new ATOM 430 N LEU A 30 -3.740 1.790 1.179 1.00 32.41 N ATOM 431 CA LEU A 30 -3.654 3.027 1.946 1.00 63.53 C ATOM 432 C LEU A 30 -2.213 3.520 2.022 1.00 43.35 C ATOM 433 O LEU A 30 -1.273 2.759 1.795 1.00 43.01 O ATOM 434 CB LEU A 30 -4.209 2.816 3.356 1.00 61.34 C ATOM 435 CG LEU A 30 -3.300 2.064 4.328 1.00 42.33 C ATOM 436 CD1 LEU A 30 -2.469 3.041 5.146 1.00 71.53 C ATOM 437 CD2 LEU A 30 -4.124 1.168 5.242 1.00 34.32 C ATOM 0 H LEU A 30 -2.901 1.211 1.217 1.00 32.41 H new ATOM 0 HA LEU A 30 -4.251 3.784 1.438 1.00 63.53 H new ATOM 0 HB2 LEU A 30 -4.438 3.792 3.785 1.00 61.34 H new ATOM 0 HB3 LEU A 30 -5.151 2.273 3.277 1.00 61.34 H new ATOM 0 HG LEU A 30 -2.622 1.436 3.750 1.00 42.33 H new ATOM 0 HD11 LEU A 30 -1.828 2.488 5.832 1.00 71.53 H new ATOM 0 HD12 LEU A 30 -1.852 3.642 4.478 1.00 71.53 H new ATOM 0 HD13 LEU A 30 -3.131 3.694 5.715 1.00 71.53 H new ATOM 0 HD21 LEU A 30 -3.461 0.640 5.928 1.00 34.32 H new ATOM 0 HD22 LEU A 30 -4.826 1.777 5.812 1.00 34.32 H new ATOM 0 HD23 LEU A 30 -4.676 0.445 4.642 1.00 34.32 H new ATOM 448 N ILE A 31 -2.047 4.799 2.346 1.00 61.03 N ATOM 449 CA ILE A 31 -0.721 5.393 2.455 1.00 21.24 C ATOM 450 C ILE A 31 -0.513 6.025 3.828 1.00 53.44 C ATOM 451 O ILE A 31 -1.423 6.645 4.380 1.00 15.42 O ATOM 452 CB ILE A 31 -0.490 6.461 1.370 1.00 24.44 C ATOM 453 CG1 ILE A 31 -0.655 5.847 -0.022 1.00 65.20 C ATOM 454 CG2 ILE A 31 0.892 7.080 1.522 1.00 52.41 C ATOM 455 CD1 ILE A 31 -0.833 6.875 -1.118 1.00 24.21 C ATOM 0 H ILE A 31 -2.815 5.443 2.537 1.00 61.03 H new ATOM 0 HA ILE A 31 -0.002 4.586 2.316 1.00 21.24 H new ATOM 0 HB ILE A 31 -1.234 7.248 1.490 1.00 24.44 H new ATOM 0 HG12 ILE A 31 0.219 5.236 -0.247 1.00 65.20 H new ATOM 0 HG13 ILE A 31 -1.517 5.180 -0.016 1.00 65.20 H new ATOM 0 HG21 ILE A 31 1.041 7.833 0.748 1.00 52.41 H new ATOM 0 HG22 ILE A 31 0.976 7.547 2.503 1.00 52.41 H new ATOM 0 HG23 ILE A 31 1.651 6.304 1.424 1.00 52.41 H new ATOM 0 HD11 ILE A 31 -0.944 6.369 -2.077 1.00 24.21 H new ATOM 0 HD12 ILE A 31 -1.723 7.471 -0.917 1.00 24.21 H new ATOM 0 HD13 ILE A 31 0.040 7.527 -1.151 1.00 24.21 H new ATOM 466 N ARG A 32 0.689 5.868 4.371 1.00 54.02 N ATOM 467 CA ARG A 32 1.016 6.424 5.678 1.00 42.33 C ATOM 468 C ARG A 32 2.451 6.943 5.705 1.00 33.44 C ATOM 469 O ARG A 32 3.255 6.618 4.830 1.00 51.44 O ATOM 470 CB ARG A 32 0.823 5.369 6.768 1.00 40.54 C ATOM 471 CG ARG A 32 1.610 4.092 6.526 1.00 70.02 C ATOM 472 CD ARG A 32 2.977 4.147 7.190 1.00 0.20 C ATOM 473 NE ARG A 32 2.876 4.342 8.634 1.00 22.44 N ATOM 474 CZ ARG A 32 3.897 4.184 9.470 1.00 64.24 C ATOM 475 NH1 ARG A 32 5.089 3.832 9.008 1.00 54.23 N ATOM 476 NH2 ARG A 32 3.727 4.381 10.771 1.00 12.33 N ATOM 0 H ARG A 32 1.453 5.360 3.926 1.00 54.02 H new ATOM 0 HA ARG A 32 0.342 7.260 5.868 1.00 42.33 H new ATOM 0 HB2 ARG A 32 1.120 5.792 7.728 1.00 40.54 H new ATOM 0 HB3 ARG A 32 -0.237 5.124 6.841 1.00 40.54 H new ATOM 0 HG2 ARG A 32 1.051 3.240 6.912 1.00 70.02 H new ATOM 0 HG3 ARG A 32 1.731 3.935 5.454 1.00 70.02 H new ATOM 0 HD2 ARG A 32 3.517 3.222 6.986 1.00 0.20 H new ATOM 0 HD3 ARG A 32 3.559 4.959 6.754 1.00 0.20 H new ATOM 0 HE ARG A 32 1.973 4.614 9.022 1.00 22.44 H new ATOM 0 HH11 ARG A 32 5.224 3.682 8.008 1.00 54.23 H new ATOM 0 HH12 ARG A 32 5.870 3.712 9.652 1.00 54.23 H new ATOM 0 HH21 ARG A 32 2.812 4.654 11.130 1.00 12.33 H new ATOM 0 HH22 ARG A 32 4.511 4.260 11.412 1.00 12.33 H new ATOM 487 N ASP A 33 2.765 7.748 6.713 1.00 0.31 N ATOM 488 CA ASP A 33 4.103 8.310 6.856 1.00 34.30 C ATOM 489 C ASP A 33 5.124 7.216 7.154 1.00 51.02 C ATOM 490 O ASP A 33 5.022 6.518 8.163 1.00 73.42 O ATOM 491 CB ASP A 33 4.123 9.360 7.967 1.00 61.11 C ATOM 492 CG ASP A 33 5.180 10.425 7.739 1.00 14.24 C ATOM 493 OD1 ASP A 33 5.353 10.847 6.577 1.00 24.35 O ATOM 494 OD2 ASP A 33 5.832 10.833 8.722 1.00 11.31 O ATOM 0 H ASP A 33 2.111 8.027 7.444 1.00 0.31 H new ATOM 0 HA ASP A 33 4.372 8.786 5.913 1.00 34.30 H new ATOM 0 HB2 ASP A 33 3.143 9.833 8.034 1.00 61.11 H new ATOM 0 HB3 ASP A 33 4.306 8.870 8.923 1.00 61.11 H new ATOM 498 N SER A 34 6.105 7.072 6.270 1.00 23.21 N ATOM 499 CA SER A 34 7.141 6.059 6.437 1.00 73.44 C ATOM 500 C SER A 34 8.256 6.567 7.346 1.00 21.42 C ATOM 501 O SER A 34 9.126 7.327 6.917 1.00 75.43 O ATOM 502 CB SER A 34 7.718 5.662 5.076 1.00 21.35 C ATOM 503 OG SER A 34 8.423 4.435 5.160 1.00 14.11 O ATOM 0 H SER A 34 6.205 7.643 5.431 1.00 23.21 H new ATOM 0 HA SER A 34 6.688 5.183 6.902 1.00 73.44 H new ATOM 0 HB2 SER A 34 6.912 5.573 4.348 1.00 21.35 H new ATOM 0 HB3 SER A 34 8.386 6.445 4.718 1.00 21.35 H new ATOM 0 HG SER A 34 8.780 4.202 4.278 1.00 14.11 H new ATOM 508 N HIS A 35 8.224 6.142 8.605 1.00 43.13 N ATOM 509 CA HIS A 35 9.231 6.553 9.576 1.00 25.24 C ATOM 510 C HIS A 35 10.572 5.886 9.284 1.00 64.42 C ATOM 511 O HIS A 35 11.600 6.263 9.845 1.00 41.41 O ATOM 512 CB HIS A 35 8.775 6.207 10.994 1.00 33.40 C ATOM 513 CG HIS A 35 8.762 4.735 11.275 1.00 12.30 C ATOM 514 ND1 HIS A 35 7.601 3.995 11.350 1.00 34.15 N ATOM 515 CD2 HIS A 35 9.775 3.867 11.500 1.00 22.11 C ATOM 516 CE1 HIS A 35 7.902 2.734 11.609 1.00 0.45 C ATOM 517 NE2 HIS A 35 9.215 2.630 11.704 1.00 2.33 N ATOM 0 H HIS A 35 7.512 5.513 8.976 1.00 43.13 H new ATOM 0 HA HIS A 35 9.357 7.633 9.496 1.00 25.24 H new ATOM 0 HB2 HIS A 35 9.434 6.700 11.709 1.00 33.40 H new ATOM 0 HB3 HIS A 35 7.774 6.608 11.153 1.00 33.40 H new ATOM 0 HD2 HIS A 35 10.829 4.103 11.516 1.00 22.11 H new ATOM 0 HE1 HIS A 35 7.194 1.926 11.723 1.00 0.45 H new ATOM 0 HE2 HIS A 35 9.729 1.771 11.897 1.00 2.33 H new ATOM 524 N SER A 36 10.553 4.892 8.401 1.00 62.20 N ATOM 525 CA SER A 36 11.766 4.170 8.036 1.00 1.34 C ATOM 526 C SER A 36 12.867 5.136 7.611 1.00 44.40 C ATOM 527 O SER A 36 13.864 5.309 8.314 1.00 34.22 O ATOM 528 CB SER A 36 11.476 3.180 6.907 1.00 50.21 C ATOM 529 OG SER A 36 12.678 2.713 6.317 1.00 13.51 O ATOM 0 H SER A 36 9.711 4.569 7.925 1.00 62.20 H new ATOM 0 HA SER A 36 12.109 3.620 8.912 1.00 1.34 H new ATOM 0 HB2 SER A 36 10.906 2.336 7.296 1.00 50.21 H new ATOM 0 HB3 SER A 36 10.857 3.659 6.149 1.00 50.21 H new ATOM 0 HG SER A 36 12.466 2.080 5.599 1.00 13.51 H new ATOM 534 N PHE A 37 12.680 5.765 6.456 1.00 3.42 N ATOM 535 CA PHE A 37 13.657 6.714 5.935 1.00 1.21 C ATOM 536 C PHE A 37 12.964 7.942 5.351 1.00 3.14 C ATOM 537 O PHE A 37 11.851 7.853 4.836 1.00 12.12 O ATOM 538 CB PHE A 37 14.526 6.048 4.866 1.00 43.14 C ATOM 539 CG PHE A 37 15.971 5.929 5.257 1.00 64.04 C ATOM 540 CD1 PHE A 37 16.400 4.888 6.064 1.00 61.54 C ATOM 541 CD2 PHE A 37 16.901 6.860 4.819 1.00 13.22 C ATOM 542 CE1 PHE A 37 17.730 4.776 6.425 1.00 22.13 C ATOM 543 CE2 PHE A 37 18.230 6.752 5.177 1.00 63.51 C ATOM 544 CZ PHE A 37 18.646 5.709 5.983 1.00 75.34 C ATOM 0 H PHE A 37 11.861 5.635 5.863 1.00 3.42 H new ATOM 0 HA PHE A 37 14.292 7.035 6.761 1.00 1.21 H new ATOM 0 HB2 PHE A 37 14.132 5.054 4.656 1.00 43.14 H new ATOM 0 HB3 PHE A 37 14.454 6.621 3.942 1.00 43.14 H new ATOM 0 HD1 PHE A 37 15.688 4.156 6.415 1.00 61.54 H new ATOM 0 HD2 PHE A 37 16.582 7.679 4.191 1.00 13.22 H new ATOM 0 HE1 PHE A 37 18.052 3.958 7.053 1.00 22.13 H new ATOM 0 HE2 PHE A 37 18.945 7.482 4.827 1.00 63.51 H new ATOM 0 HZ PHE A 37 19.685 5.624 6.266 1.00 75.34 H new ATOM 553 N GLN A 38 13.633 9.088 5.438 1.00 14.43 N ATOM 554 CA GLN A 38 13.081 10.335 4.920 1.00 14.14 C ATOM 555 C GLN A 38 12.818 10.232 3.421 1.00 23.42 C ATOM 556 O GLN A 38 13.564 9.578 2.693 1.00 24.41 O ATOM 557 CB GLN A 38 14.034 11.496 5.204 1.00 25.31 C ATOM 558 CG GLN A 38 13.866 12.096 6.591 1.00 33.02 C ATOM 559 CD GLN A 38 14.929 13.128 6.913 1.00 72.03 C ATOM 560 OE1 GLN A 38 14.893 14.251 6.410 1.00 55.31 O ATOM 561 NE2 GLN A 38 15.883 12.752 7.757 1.00 72.52 N ATOM 0 H GLN A 38 14.556 9.179 5.862 1.00 14.43 H new ATOM 0 HA GLN A 38 12.133 10.521 5.425 1.00 14.14 H new ATOM 0 HB2 GLN A 38 15.061 11.149 5.089 1.00 25.31 H new ATOM 0 HB3 GLN A 38 13.876 12.275 4.459 1.00 25.31 H new ATOM 0 HG2 GLN A 38 12.882 12.558 6.666 1.00 33.02 H new ATOM 0 HG3 GLN A 38 13.901 11.299 7.334 1.00 33.02 H new ATOM 0 HE21 GLN A 38 15.874 11.811 8.150 1.00 72.52 H new ATOM 0 HE22 GLN A 38 16.625 13.404 8.012 1.00 72.52 H new ATOM 568 N GLY A 39 11.752 10.884 2.965 1.00 21.25 N ATOM 569 CA GLY A 39 11.410 10.853 1.556 1.00 35.55 C ATOM 570 C GLY A 39 10.809 9.526 1.134 1.00 13.22 C ATOM 571 O GLY A 39 10.872 9.153 -0.037 1.00 31.13 O ATOM 0 H GLY A 39 11.120 11.433 3.547 1.00 21.25 H new ATOM 0 HA2 GLY A 39 10.703 11.654 1.339 1.00 35.55 H new ATOM 0 HA3 GLY A 39 12.304 11.048 0.964 1.00 35.55 H new ATOM 575 N ALA A 40 10.226 8.811 2.091 1.00 11.10 N ATOM 576 CA ALA A 40 9.611 7.519 1.813 1.00 62.43 C ATOM 577 C ALA A 40 8.186 7.462 2.351 1.00 41.32 C ATOM 578 O ALA A 40 7.848 8.151 3.314 1.00 13.41 O ATOM 579 CB ALA A 40 10.448 6.397 2.409 1.00 43.23 C ATOM 0 H ALA A 40 10.167 9.105 3.066 1.00 11.10 H new ATOM 0 HA ALA A 40 9.568 7.390 0.732 1.00 62.43 H new ATOM 0 HB1 ALA A 40 9.977 5.438 2.194 1.00 43.23 H new ATOM 0 HB2 ALA A 40 11.447 6.417 1.973 1.00 43.23 H new ATOM 0 HB3 ALA A 40 10.521 6.531 3.488 1.00 43.23 H new ATOM 585 N TYR A 41 7.354 6.639 1.724 1.00 71.32 N ATOM 586 CA TYR A 41 5.963 6.495 2.138 1.00 31.51 C ATOM 587 C TYR A 41 5.580 5.023 2.255 1.00 40.43 C ATOM 588 O TYR A 41 5.917 4.211 1.395 1.00 72.22 O ATOM 589 CB TYR A 41 5.037 7.197 1.143 1.00 2.00 C ATOM 590 CG TYR A 41 5.283 8.685 1.034 1.00 54.10 C ATOM 591 CD1 TYR A 41 4.638 9.579 1.879 1.00 4.41 C ATOM 592 CD2 TYR A 41 6.160 9.196 0.085 1.00 45.55 C ATOM 593 CE1 TYR A 41 4.859 10.939 1.783 1.00 42.03 C ATOM 594 CE2 TYR A 41 6.388 10.556 -0.017 1.00 34.32 C ATOM 595 CZ TYR A 41 5.734 11.422 0.832 1.00 4.34 C ATOM 596 OH TYR A 41 5.958 12.776 0.734 1.00 44.32 O ATOM 0 H TYR A 41 7.618 6.061 0.926 1.00 71.32 H new ATOM 0 HA TYR A 41 5.852 6.960 3.117 1.00 31.51 H new ATOM 0 HB2 TYR A 41 5.163 6.743 0.160 1.00 2.00 H new ATOM 0 HB3 TYR A 41 4.002 7.029 1.442 1.00 2.00 H new ATOM 0 HD1 TYR A 41 3.952 9.204 2.624 1.00 4.41 H new ATOM 0 HD2 TYR A 41 6.672 8.520 -0.584 1.00 45.55 H new ATOM 0 HE1 TYR A 41 4.350 11.620 2.449 1.00 42.03 H new ATOM 0 HE2 TYR A 41 7.075 10.937 -0.758 1.00 34.32 H new ATOM 0 HH TYR A 41 6.601 12.950 0.015 1.00 44.32 H new ATOM 605 N GLY A 42 4.871 4.686 3.329 1.00 53.44 N ATOM 606 CA GLY A 42 4.451 3.314 3.540 1.00 3.25 C ATOM 607 C GLY A 42 3.130 3.001 2.869 1.00 51.34 C ATOM 608 O GLY A 42 2.094 3.564 3.226 1.00 60.12 O ATOM 0 H GLY A 42 4.580 5.340 4.056 1.00 53.44 H new ATOM 0 HA2 GLY A 42 5.218 2.640 3.157 1.00 3.25 H new ATOM 0 HA3 GLY A 42 4.365 3.124 4.610 1.00 3.25 H new ATOM 612 N LEU A 43 3.162 2.102 1.891 1.00 20.22 N ATOM 613 CA LEU A 43 1.957 1.716 1.165 1.00 23.31 C ATOM 614 C LEU A 43 1.511 0.311 1.559 1.00 71.12 C ATOM 615 O LEU A 43 2.303 -0.629 1.543 1.00 32.44 O ATOM 616 CB LEU A 43 2.204 1.781 -0.343 1.00 2.33 C ATOM 617 CG LEU A 43 1.040 1.343 -1.233 1.00 62.23 C ATOM 618 CD1 LEU A 43 -0.072 2.381 -1.206 1.00 33.34 C ATOM 619 CD2 LEU A 43 1.518 1.106 -2.658 1.00 43.14 C ATOM 0 H LEU A 43 4.010 1.627 1.582 1.00 20.22 H new ATOM 0 HA LEU A 43 1.164 2.416 1.427 1.00 23.31 H new ATOM 0 HB2 LEU A 43 2.469 2.806 -0.604 1.00 2.33 H new ATOM 0 HB3 LEU A 43 3.068 1.159 -0.577 1.00 2.33 H new ATOM 0 HG LEU A 43 0.643 0.405 -0.844 1.00 62.23 H new ATOM 0 HD11 LEU A 43 -0.892 2.053 -1.845 1.00 33.34 H new ATOM 0 HD12 LEU A 43 -0.433 2.501 -0.185 1.00 33.34 H new ATOM 0 HD13 LEU A 43 0.311 3.335 -1.569 1.00 33.34 H new ATOM 0 HD21 LEU A 43 0.676 0.795 -3.277 1.00 43.14 H new ATOM 0 HD22 LEU A 43 1.942 2.027 -3.058 1.00 43.14 H new ATOM 0 HD23 LEU A 43 2.279 0.326 -2.661 1.00 43.14 H new ATOM 630 N ALA A 44 0.236 0.179 1.910 1.00 12.14 N ATOM 631 CA ALA A 44 -0.317 -1.112 2.304 1.00 43.23 C ATOM 632 C ALA A 44 -1.427 -1.546 1.353 1.00 61.34 C ATOM 633 O ALA A 44 -2.275 -0.743 0.963 1.00 43.41 O ATOM 634 CB ALA A 44 -0.838 -1.048 3.732 1.00 14.15 C ATOM 0 H ALA A 44 -0.433 0.949 1.930 1.00 12.14 H new ATOM 0 HA ALA A 44 0.481 -1.853 2.252 1.00 43.23 H new ATOM 0 HB1 ALA A 44 -1.248 -2.018 4.014 1.00 14.15 H new ATOM 0 HB2 ALA A 44 -0.021 -0.790 4.406 1.00 14.15 H new ATOM 0 HB3 ALA A 44 -1.619 -0.290 3.801 1.00 14.15 H new ATOM 640 N LEU A 45 -1.416 -2.821 0.982 1.00 31.42 N ATOM 641 CA LEU A 45 -2.421 -3.364 0.074 1.00 43.52 C ATOM 642 C LEU A 45 -2.988 -4.674 0.610 1.00 33.45 C ATOM 643 O LEU A 45 -2.259 -5.498 1.164 1.00 50.44 O ATOM 644 CB LEU A 45 -1.818 -3.585 -1.314 1.00 31.21 C ATOM 645 CG LEU A 45 -2.736 -4.240 -2.347 1.00 20.42 C ATOM 646 CD1 LEU A 45 -4.080 -3.530 -2.394 1.00 33.32 C ATOM 647 CD2 LEU A 45 -2.080 -4.237 -3.720 1.00 61.52 C ATOM 0 H LEU A 45 -0.722 -3.499 1.296 1.00 31.42 H new ATOM 0 HA LEU A 45 -3.234 -2.642 -0.002 1.00 43.52 H new ATOM 0 HB2 LEU A 45 -1.493 -2.621 -1.705 1.00 31.21 H new ATOM 0 HB3 LEU A 45 -0.926 -4.202 -1.207 1.00 31.21 H new ATOM 0 HG LEU A 45 -2.906 -5.275 -2.050 1.00 20.42 H new ATOM 0 HD11 LEU A 45 -4.719 -4.010 -3.135 1.00 33.32 H new ATOM 0 HD12 LEU A 45 -4.555 -3.585 -1.414 1.00 33.32 H new ATOM 0 HD13 LEU A 45 -3.930 -2.485 -2.667 1.00 33.32 H new ATOM 0 HD21 LEU A 45 -2.747 -4.707 -4.443 1.00 61.52 H new ATOM 0 HD22 LEU A 45 -1.880 -3.210 -4.025 1.00 61.52 H new ATOM 0 HD23 LEU A 45 -1.143 -4.792 -3.677 1.00 61.52 H new ATOM 658 N LYS A 46 -4.292 -4.863 0.440 1.00 14.40 N ATOM 659 CA LYS A 46 -4.958 -6.074 0.903 1.00 33.20 C ATOM 660 C LYS A 46 -5.149 -7.063 -0.245 1.00 42.44 C ATOM 661 O LYS A 46 -5.618 -6.694 -1.322 1.00 13.11 O ATOM 662 CB LYS A 46 -6.313 -5.731 1.526 1.00 74.54 C ATOM 663 CG LYS A 46 -7.075 -6.944 2.031 1.00 23.52 C ATOM 664 CD LYS A 46 -6.372 -7.590 3.213 1.00 63.21 C ATOM 665 CE LYS A 46 -6.860 -9.012 3.443 1.00 23.43 C ATOM 666 NZ LYS A 46 -8.324 -9.059 3.710 1.00 33.43 N ATOM 0 H LYS A 46 -4.909 -4.191 -0.016 1.00 14.40 H new ATOM 0 HA LYS A 46 -4.326 -6.539 1.659 1.00 33.20 H new ATOM 0 HB2 LYS A 46 -6.158 -5.039 2.354 1.00 74.54 H new ATOM 0 HB3 LYS A 46 -6.922 -5.212 0.786 1.00 74.54 H new ATOM 0 HG2 LYS A 46 -8.082 -6.647 2.323 1.00 23.52 H new ATOM 0 HG3 LYS A 46 -7.178 -7.671 1.226 1.00 23.52 H new ATOM 0 HD2 LYS A 46 -5.296 -7.597 3.038 1.00 63.21 H new ATOM 0 HD3 LYS A 46 -6.545 -6.995 4.110 1.00 63.21 H new ATOM 0 HE2 LYS A 46 -6.631 -9.621 2.568 1.00 23.43 H new ATOM 0 HE3 LYS A 46 -6.323 -9.449 4.285 1.00 23.43 H new ATOM 0 HZ1 LYS A 46 -8.512 -9.704 4.504 1.00 33.43 H new ATOM 0 HZ2 LYS A 46 -8.664 -8.106 3.951 1.00 33.43 H new ATOM 0 HZ3 LYS A 46 -8.821 -9.399 2.862 1.00 33.43 H new ATOM 676 N VAL A 47 -4.783 -8.317 -0.006 1.00 11.35 N ATOM 677 CA VAL A 47 -4.917 -9.359 -1.018 1.00 52.52 C ATOM 678 C VAL A 47 -6.154 -10.214 -0.766 1.00 11.13 C ATOM 679 O VAL A 47 -6.702 -10.222 0.336 1.00 32.11 O ATOM 680 CB VAL A 47 -3.676 -10.269 -1.055 1.00 3.22 C ATOM 681 CG1 VAL A 47 -2.417 -9.446 -1.285 1.00 53.13 C ATOM 682 CG2 VAL A 47 -3.568 -11.074 0.231 1.00 64.52 C ATOM 0 H VAL A 47 -4.391 -8.637 0.880 1.00 11.35 H new ATOM 0 HA VAL A 47 -5.017 -8.855 -1.979 1.00 52.52 H new ATOM 0 HB VAL A 47 -3.783 -10.966 -1.886 1.00 3.22 H new ATOM 0 HG11 VAL A 47 -1.550 -10.106 -1.308 1.00 53.13 H new ATOM 0 HG12 VAL A 47 -2.496 -8.918 -2.235 1.00 53.13 H new ATOM 0 HG13 VAL A 47 -2.302 -8.724 -0.477 1.00 53.13 H new ATOM 0 HG21 VAL A 47 -2.685 -11.712 0.188 1.00 64.52 H new ATOM 0 HG22 VAL A 47 -3.484 -10.395 1.079 1.00 64.52 H new ATOM 0 HG23 VAL A 47 -4.457 -11.693 0.349 1.00 64.52 H new ATOM 692 N ALA A 48 -6.589 -10.934 -1.795 1.00 43.03 N ATOM 693 CA ALA A 48 -7.759 -11.795 -1.686 1.00 2.11 C ATOM 694 C ALA A 48 -7.357 -13.228 -1.353 1.00 32.54 C ATOM 695 O ALA A 48 -7.876 -13.828 -0.411 1.00 44.23 O ATOM 696 CB ALA A 48 -8.566 -11.757 -2.974 1.00 73.52 C ATOM 0 H ALA A 48 -6.148 -10.938 -2.715 1.00 43.03 H new ATOM 0 HA ALA A 48 -8.379 -11.421 -0.872 1.00 2.11 H new ATOM 0 HB1 ALA A 48 -9.437 -12.405 -2.877 1.00 73.52 H new ATOM 0 HB2 ALA A 48 -8.894 -10.736 -3.168 1.00 73.52 H new ATOM 0 HB3 ALA A 48 -7.947 -12.103 -3.802 1.00 73.52 H new ATOM 909 N LEU A 65 -2.381 -11.689 4.783 1.00 62.15 N ATOM 910 CA LEU A 65 -3.104 -11.212 3.609 1.00 42.31 C ATOM 911 C LEU A 65 -2.885 -9.716 3.405 1.00 10.02 C ATOM 912 O LEU A 65 -3.583 -9.078 2.617 1.00 41.21 O ATOM 913 CB LEU A 65 -4.598 -11.505 3.752 1.00 10.30 C ATOM 914 CG LEU A 65 -4.985 -12.980 3.867 1.00 3.21 C ATOM 915 CD1 LEU A 65 -6.490 -13.127 4.024 1.00 0.44 C ATOM 916 CD2 LEU A 65 -4.495 -13.756 2.653 1.00 22.01 C ATOM 0 HA LEU A 65 -2.718 -11.739 2.736 1.00 42.31 H new ATOM 0 HB2 LEU A 65 -4.967 -10.983 4.635 1.00 10.30 H new ATOM 0 HB3 LEU A 65 -5.115 -11.080 2.891 1.00 10.30 H new ATOM 0 HG LEU A 65 -4.506 -13.393 4.755 1.00 3.21 H new ATOM 0 HD11 LEU A 65 -6.746 -14.183 4.104 1.00 0.44 H new ATOM 0 HD12 LEU A 65 -6.815 -12.606 4.925 1.00 0.44 H new ATOM 0 HD13 LEU A 65 -6.990 -12.697 3.156 1.00 0.44 H new ATOM 0 HD21 LEU A 65 -4.779 -14.804 2.752 1.00 22.01 H new ATOM 0 HD22 LEU A 65 -4.945 -13.342 1.751 1.00 22.01 H new ATOM 0 HD23 LEU A 65 -3.410 -13.679 2.586 1.00 22.01 H new ATOM 927 N VAL A 66 -1.909 -9.163 4.118 1.00 51.50 N ATOM 928 CA VAL A 66 -1.596 -7.743 4.013 1.00 64.42 C ATOM 929 C VAL A 66 -0.142 -7.530 3.605 1.00 61.31 C ATOM 930 O VAL A 66 0.778 -7.958 4.303 1.00 61.02 O ATOM 931 CB VAL A 66 -1.857 -7.011 5.343 1.00 63.32 C ATOM 932 CG1 VAL A 66 -1.501 -5.537 5.219 1.00 41.35 C ATOM 933 CG2 VAL A 66 -3.307 -7.184 5.770 1.00 23.41 C ATOM 0 H VAL A 66 -1.321 -9.677 4.775 1.00 51.50 H new ATOM 0 HA VAL A 66 -2.250 -7.330 3.245 1.00 64.42 H new ATOM 0 HB VAL A 66 -1.221 -7.451 6.111 1.00 63.32 H new ATOM 0 HG11 VAL A 66 -1.692 -5.036 6.168 1.00 41.35 H new ATOM 0 HG12 VAL A 66 -0.446 -5.438 4.962 1.00 41.35 H new ATOM 0 HG13 VAL A 66 -2.109 -5.080 4.439 1.00 41.35 H new ATOM 0 HG21 VAL A 66 -3.474 -6.661 6.711 1.00 23.41 H new ATOM 0 HG22 VAL A 66 -3.964 -6.771 5.004 1.00 23.41 H new ATOM 0 HG23 VAL A 66 -3.524 -8.244 5.901 1.00 23.41 H new ATOM 943 N ARG A 67 0.057 -6.867 2.471 1.00 22.12 N ATOM 944 CA ARG A 67 1.400 -6.598 1.969 1.00 53.55 C ATOM 945 C ARG A 67 1.742 -5.117 2.101 1.00 54.43 C ATOM 946 O ARG A 67 1.108 -4.264 1.477 1.00 10.02 O ATOM 947 CB ARG A 67 1.516 -7.032 0.506 1.00 44.44 C ATOM 948 CG ARG A 67 2.290 -8.325 0.315 1.00 13.53 C ATOM 949 CD ARG A 67 1.468 -9.533 0.741 1.00 23.50 C ATOM 950 NE ARG A 67 2.305 -10.705 0.981 1.00 30.14 N ATOM 951 CZ ARG A 67 2.839 -11.439 0.012 1.00 74.41 C ATOM 952 NH1 ARG A 67 2.624 -11.121 -1.259 1.00 25.33 N ATOM 953 NH2 ARG A 67 3.589 -12.492 0.310 1.00 54.30 N ATOM 0 H ARG A 67 -0.694 -6.506 1.882 1.00 22.12 H new ATOM 0 HA ARG A 67 2.108 -7.171 2.568 1.00 53.55 H new ATOM 0 HB2 ARG A 67 0.515 -7.153 0.091 1.00 44.44 H new ATOM 0 HB3 ARG A 67 2.003 -6.239 -0.062 1.00 44.44 H new ATOM 0 HG2 ARG A 67 2.576 -8.428 -0.732 1.00 13.53 H new ATOM 0 HG3 ARG A 67 3.212 -8.288 0.895 1.00 13.53 H new ATOM 0 HD2 ARG A 67 0.912 -9.292 1.647 1.00 23.50 H new ATOM 0 HD3 ARG A 67 0.734 -9.763 -0.031 1.00 23.50 H new ATOM 0 HE ARG A 67 2.490 -10.975 1.947 1.00 30.14 H new ATOM 0 HH11 ARG A 67 2.048 -10.312 -1.492 1.00 25.33 H new ATOM 0 HH12 ARG A 67 3.035 -11.686 -2.003 1.00 25.33 H new ATOM 0 HH21 ARG A 67 3.756 -12.739 1.285 1.00 54.30 H new ATOM 0 HH22 ARG A 67 3.998 -13.054 -0.436 1.00 54.30 H new ATOM 964 N HIS A 68 2.748 -4.817 2.916 1.00 0.41 N ATOM 965 CA HIS A 68 3.174 -3.439 3.130 1.00 25.32 C ATOM 966 C HIS A 68 4.599 -3.227 2.626 1.00 51.24 C ATOM 967 O HIS A 68 5.521 -3.940 3.022 1.00 31.50 O ATOM 968 CB HIS A 68 3.088 -3.080 4.614 1.00 30.02 C ATOM 969 CG HIS A 68 3.716 -4.099 5.514 1.00 60.53 C ATOM 970 ND1 HIS A 68 4.986 -3.964 6.032 1.00 23.34 N ATOM 971 CD2 HIS A 68 3.240 -5.274 5.990 1.00 72.14 C ATOM 972 CE1 HIS A 68 5.266 -5.013 6.786 1.00 45.24 C ATOM 973 NE2 HIS A 68 4.222 -5.822 6.777 1.00 64.43 N ATOM 0 H HIS A 68 3.283 -5.510 3.439 1.00 0.41 H new ATOM 0 HA HIS A 68 2.506 -2.787 2.567 1.00 25.32 H new ATOM 0 HB2 HIS A 68 3.573 -2.117 4.775 1.00 30.02 H new ATOM 0 HB3 HIS A 68 2.040 -2.960 4.890 1.00 30.02 H new ATOM 0 HD2 HIS A 68 2.269 -5.701 5.788 1.00 72.14 H new ATOM 0 HE1 HIS A 68 6.191 -5.180 7.319 1.00 45.24 H new ATOM 0 HE2 HIS A 68 4.156 -6.710 7.274 1.00 64.43 H new ATOM 980 N PHE A 69 4.771 -2.243 1.750 1.00 12.01 N ATOM 981 CA PHE A 69 6.083 -1.938 1.190 1.00 34.42 C ATOM 982 C PHE A 69 6.381 -0.445 1.283 1.00 3.54 C ATOM 983 O PHE A 69 5.471 0.385 1.250 1.00 4.04 O ATOM 984 CB PHE A 69 6.156 -2.393 -0.270 1.00 41.23 C ATOM 985 CG PHE A 69 5.637 -3.785 -0.490 1.00 54.33 C ATOM 986 CD1 PHE A 69 6.268 -4.875 0.087 1.00 50.02 C ATOM 987 CD2 PHE A 69 4.515 -4.003 -1.274 1.00 35.11 C ATOM 988 CE1 PHE A 69 5.792 -6.156 -0.116 1.00 72.22 C ATOM 989 CE2 PHE A 69 4.034 -5.283 -1.480 1.00 2.10 C ATOM 990 CZ PHE A 69 4.673 -6.361 -0.900 1.00 44.30 C ATOM 0 H PHE A 69 4.019 -1.643 1.412 1.00 12.01 H new ATOM 0 HA PHE A 69 6.832 -2.477 1.770 1.00 34.42 H new ATOM 0 HB2 PHE A 69 5.586 -1.699 -0.888 1.00 41.23 H new ATOM 0 HB3 PHE A 69 7.191 -2.342 -0.607 1.00 41.23 H new ATOM 0 HD1 PHE A 69 7.142 -4.722 0.703 1.00 50.02 H new ATOM 0 HD2 PHE A 69 4.011 -3.164 -1.729 1.00 35.11 H new ATOM 0 HE1 PHE A 69 6.295 -6.997 0.338 1.00 72.22 H new ATOM 0 HE2 PHE A 69 3.159 -5.439 -2.094 1.00 2.10 H new ATOM 0 HZ PHE A 69 4.299 -7.362 -1.059 1.00 44.30 H new ATOM 999 N LEU A 70 7.661 -0.110 1.403 1.00 25.45 N ATOM 1000 CA LEU A 70 8.082 1.283 1.504 1.00 52.14 C ATOM 1001 C LEU A 70 8.558 1.807 0.153 1.00 60.05 C ATOM 1002 O LEU A 70 9.452 1.230 -0.468 1.00 33.25 O ATOM 1003 CB LEU A 70 9.196 1.427 2.541 1.00 23.42 C ATOM 1004 CG LEU A 70 10.536 0.786 2.179 1.00 42.40 C ATOM 1005 CD1 LEU A 70 11.517 1.840 1.688 1.00 10.13 C ATOM 1006 CD2 LEU A 70 11.109 0.038 3.375 1.00 51.14 C ATOM 0 H LEU A 70 8.426 -0.784 1.433 1.00 25.45 H new ATOM 0 HA LEU A 70 7.222 1.874 1.820 1.00 52.14 H new ATOM 0 HB2 LEU A 70 9.361 2.489 2.722 1.00 23.42 H new ATOM 0 HB3 LEU A 70 8.850 0.993 3.479 1.00 23.42 H new ATOM 0 HG LEU A 70 10.369 0.071 1.373 1.00 42.40 H new ATOM 0 HD11 LEU A 70 12.465 1.365 1.435 1.00 10.13 H new ATOM 0 HD12 LEU A 70 11.110 2.332 0.804 1.00 10.13 H new ATOM 0 HD13 LEU A 70 11.679 2.579 2.472 1.00 10.13 H new ATOM 0 HD21 LEU A 70 12.063 -0.412 3.100 1.00 51.14 H new ATOM 0 HD22 LEU A 70 11.261 0.733 4.200 1.00 51.14 H new ATOM 0 HD23 LEU A 70 10.414 -0.744 3.682 1.00 51.14 H new ATOM 1017 N ILE A 71 7.957 2.904 -0.297 1.00 25.33 N ATOM 1018 CA ILE A 71 8.323 3.506 -1.572 1.00 41.33 C ATOM 1019 C ILE A 71 9.253 4.698 -1.371 1.00 62.15 C ATOM 1020 O ILE A 71 9.026 5.534 -0.498 1.00 3.51 O ATOM 1021 CB ILE A 71 7.079 3.968 -2.354 1.00 33.41 C ATOM 1022 CG1 ILE A 71 6.017 2.865 -2.362 1.00 64.55 C ATOM 1023 CG2 ILE A 71 7.460 4.354 -3.776 1.00 3.12 C ATOM 1024 CD1 ILE A 71 4.927 3.070 -1.334 1.00 23.41 C ATOM 0 H ILE A 71 7.215 3.393 0.203 1.00 25.33 H new ATOM 0 HA ILE A 71 8.840 2.737 -2.147 1.00 41.33 H new ATOM 0 HB ILE A 71 6.662 4.845 -1.860 1.00 33.41 H new ATOM 0 HG12 ILE A 71 5.566 2.813 -3.353 1.00 64.55 H new ATOM 0 HG13 ILE A 71 6.500 1.905 -2.181 1.00 64.55 H new ATOM 0 HG21 ILE A 71 6.570 4.678 -4.316 1.00 3.12 H new ATOM 0 HG22 ILE A 71 8.185 5.167 -3.750 1.00 3.12 H new ATOM 0 HG23 ILE A 71 7.898 3.493 -4.282 1.00 3.12 H new ATOM 0 HD11 ILE A 71 4.210 2.252 -1.396 1.00 23.41 H new ATOM 0 HD12 ILE A 71 5.367 3.092 -0.337 1.00 23.41 H new ATOM 0 HD13 ILE A 71 4.418 4.014 -1.527 1.00 23.41 H new ATOM 1035 N GLU A 72 10.300 4.769 -2.187 1.00 22.22 N ATOM 1036 CA GLU A 72 11.264 5.859 -2.098 1.00 64.42 C ATOM 1037 C GLU A 72 11.262 6.694 -3.375 1.00 54.31 C ATOM 1038 O GLU A 72 11.271 6.155 -4.483 1.00 51.11 O ATOM 1039 CB GLU A 72 12.668 5.308 -1.839 1.00 43.23 C ATOM 1040 CG GLU A 72 13.052 5.287 -0.369 1.00 13.52 C ATOM 1041 CD GLU A 72 14.265 6.145 -0.069 1.00 63.42 C ATOM 1042 OE1 GLU A 72 15.247 6.074 -0.840 1.00 52.32 O ATOM 1043 OE2 GLU A 72 14.236 6.887 0.934 1.00 5.23 O ATOM 0 H GLU A 72 10.502 4.085 -2.916 1.00 22.22 H new ATOM 0 HA GLU A 72 10.973 6.499 -1.265 1.00 64.42 H new ATOM 0 HB2 GLU A 72 12.731 4.295 -2.237 1.00 43.23 H new ATOM 0 HB3 GLU A 72 13.392 5.911 -2.387 1.00 43.23 H new ATOM 0 HG2 GLU A 72 12.209 5.636 0.228 1.00 13.52 H new ATOM 0 HG3 GLU A 72 13.254 4.260 -0.065 1.00 13.52 H new ATOM 1048 N THR A 73 11.248 8.014 -3.214 1.00 30.24 N ATOM 1049 CA THR A 73 11.242 8.923 -4.352 1.00 32.20 C ATOM 1050 C THR A 73 12.489 9.799 -4.363 1.00 32.24 C ATOM 1051 O THR A 73 12.755 10.529 -3.409 1.00 33.43 O ATOM 1052 CB THR A 73 9.994 9.826 -4.344 1.00 13.44 C ATOM 1053 OG1 THR A 73 10.086 10.799 -5.390 1.00 3.22 O ATOM 1054 CG2 THR A 73 9.844 10.528 -3.003 1.00 41.11 C ATOM 0 H THR A 73 11.241 8.477 -2.305 1.00 30.24 H new ATOM 0 HA THR A 73 11.228 8.305 -5.250 1.00 32.20 H new ATOM 0 HB THR A 73 9.118 9.199 -4.509 1.00 13.44 H new ATOM 0 HG1 THR A 73 9.288 11.368 -5.379 1.00 3.22 H new ATOM 0 HG21 THR A 73 8.956 11.160 -3.021 1.00 41.11 H new ATOM 0 HG22 THR A 73 9.745 9.784 -2.212 1.00 41.11 H new ATOM 0 HG23 THR A 73 10.724 11.143 -2.814 1.00 41.11 H new ATOM 1062 N GLY A 74 13.252 9.722 -5.450 1.00 53.21 N ATOM 1063 CA GLY A 74 14.462 10.514 -5.563 1.00 70.52 C ATOM 1064 C GLY A 74 14.572 11.216 -6.903 1.00 2.43 C ATOM 1065 O GLY A 74 13.605 11.309 -7.659 1.00 42.23 O ATOM 0 H GLY A 74 13.053 9.126 -6.253 1.00 53.21 H new ATOM 0 HA2 GLY A 74 14.483 11.256 -4.765 1.00 70.52 H new ATOM 0 HA3 GLY A 74 15.329 9.869 -5.422 1.00 70.52 H new ATOM 1069 N PRO A 75 15.772 11.728 -7.211 1.00 24.44 N ATOM 1070 CA PRO A 75 16.033 12.435 -8.468 1.00 64.11 C ATOM 1071 C PRO A 75 16.012 11.502 -9.674 1.00 52.40 C ATOM 1072 O PRO A 75 16.076 11.949 -10.820 1.00 0.31 O ATOM 1073 CB PRO A 75 17.435 13.015 -8.265 1.00 31.03 C ATOM 1074 CG PRO A 75 18.075 12.116 -7.264 1.00 20.10 C ATOM 1075 CD PRO A 75 16.970 11.653 -6.356 1.00 72.12 C ATOM 0 HA PRO A 75 15.272 13.187 -8.678 1.00 64.11 H new ATOM 0 HB2 PRO A 75 17.996 13.030 -9.199 1.00 31.03 H new ATOM 0 HB3 PRO A 75 17.390 14.042 -7.903 1.00 31.03 H new ATOM 0 HG2 PRO A 75 18.559 11.270 -7.752 1.00 20.10 H new ATOM 0 HG3 PRO A 75 18.846 12.644 -6.703 1.00 20.10 H new ATOM 0 HD2 PRO A 75 17.144 10.639 -5.996 1.00 72.12 H new ATOM 0 HD3 PRO A 75 16.877 12.292 -5.478 1.00 72.12 H new ATOM 1080 N LYS A 76 15.920 10.203 -9.410 1.00 4.51 N ATOM 1081 CA LYS A 76 15.888 9.205 -10.472 1.00 63.21 C ATOM 1082 C LYS A 76 14.488 8.624 -10.630 1.00 34.04 C ATOM 1083 O LYS A 76 14.256 7.755 -11.471 1.00 64.51 O ATOM 1084 CB LYS A 76 16.888 8.084 -10.178 1.00 42.02 C ATOM 1085 CG LYS A 76 18.330 8.557 -10.115 1.00 13.20 C ATOM 1086 CD LYS A 76 19.174 7.919 -11.206 1.00 2.50 C ATOM 1087 CE LYS A 76 20.148 8.919 -11.812 1.00 32.54 C ATOM 1088 NZ LYS A 76 21.317 9.162 -10.923 1.00 43.30 N ATOM 0 H LYS A 76 15.866 9.816 -8.468 1.00 4.51 H new ATOM 0 HA LYS A 76 16.166 9.695 -11.405 1.00 63.21 H new ATOM 0 HB2 LYS A 76 16.627 7.615 -9.230 1.00 42.02 H new ATOM 0 HB3 LYS A 76 16.799 7.318 -10.948 1.00 42.02 H new ATOM 0 HG2 LYS A 76 18.363 9.642 -10.216 1.00 13.20 H new ATOM 0 HG3 LYS A 76 18.751 8.315 -9.139 1.00 13.20 H new ATOM 0 HD2 LYS A 76 19.727 7.075 -10.794 1.00 2.50 H new ATOM 0 HD3 LYS A 76 18.524 7.524 -11.986 1.00 2.50 H new ATOM 0 HE2 LYS A 76 20.496 8.549 -12.776 1.00 32.54 H new ATOM 0 HE3 LYS A 76 19.632 9.861 -11.999 1.00 32.54 H new ATOM 0 HZ1 LYS A 76 21.957 9.849 -11.371 1.00 43.30 H new ATOM 0 HZ2 LYS A 76 20.988 9.539 -10.012 1.00 43.30 H new ATOM 0 HZ3 LYS A 76 21.824 8.268 -10.765 1.00 43.30 H new ATOM 1098 N GLY A 77 13.554 9.109 -9.817 1.00 34.21 N ATOM 1099 CA GLY A 77 12.187 8.626 -9.884 1.00 20.13 C ATOM 1100 C GLY A 77 11.743 7.962 -8.595 1.00 72.25 C ATOM 1101 O GLY A 77 12.506 7.887 -7.633 1.00 32.35 O ATOM 0 H GLY A 77 13.720 9.828 -9.113 1.00 34.21 H new ATOM 0 HA2 GLY A 77 11.521 9.459 -10.108 1.00 20.13 H new ATOM 0 HA3 GLY A 77 12.096 7.915 -10.705 1.00 20.13 H new ATOM 1105 N VAL A 78 10.504 7.481 -8.576 1.00 43.53 N ATOM 1106 CA VAL A 78 9.958 6.822 -7.396 1.00 2.13 C ATOM 1107 C VAL A 78 9.752 5.332 -7.646 1.00 44.32 C ATOM 1108 O VAL A 78 9.110 4.937 -8.618 1.00 40.32 O ATOM 1109 CB VAL A 78 8.618 7.450 -6.970 1.00 33.13 C ATOM 1110 CG1 VAL A 78 7.595 7.334 -8.090 1.00 73.02 C ATOM 1111 CG2 VAL A 78 8.103 6.796 -5.697 1.00 22.23 C ATOM 0 H VAL A 78 9.859 7.535 -9.365 1.00 43.53 H new ATOM 0 HA VAL A 78 10.684 6.957 -6.594 1.00 2.13 H new ATOM 0 HB VAL A 78 8.781 8.508 -6.766 1.00 33.13 H new ATOM 0 HG11 VAL A 78 6.654 7.783 -7.771 1.00 73.02 H new ATOM 0 HG12 VAL A 78 7.964 7.853 -8.975 1.00 73.02 H new ATOM 0 HG13 VAL A 78 7.433 6.283 -8.328 1.00 73.02 H new ATOM 0 HG21 VAL A 78 7.155 7.253 -5.411 1.00 22.23 H new ATOM 0 HG22 VAL A 78 7.955 5.730 -5.870 1.00 22.23 H new ATOM 0 HG23 VAL A 78 8.829 6.936 -4.896 1.00 22.23 H new ATOM 1121 N LYS A 79 10.302 4.508 -6.760 1.00 22.12 N ATOM 1122 CA LYS A 79 10.177 3.060 -6.881 1.00 25.23 C ATOM 1123 C LYS A 79 9.664 2.447 -5.582 1.00 40.31 C ATOM 1124 O LYS A 79 9.988 2.919 -4.492 1.00 4.04 O ATOM 1125 CB LYS A 79 11.528 2.441 -7.250 1.00 63.02 C ATOM 1126 CG LYS A 79 12.582 2.592 -6.168 1.00 25.31 C ATOM 1127 CD LYS A 79 13.236 3.963 -6.213 1.00 61.05 C ATOM 1128 CE LYS A 79 14.744 3.868 -6.049 1.00 21.24 C ATOM 1129 NZ LYS A 79 15.250 4.802 -5.006 1.00 52.43 N ATOM 0 H LYS A 79 10.839 4.818 -5.950 1.00 22.12 H new ATOM 0 HA LYS A 79 9.457 2.847 -7.671 1.00 25.23 H new ATOM 0 HB2 LYS A 79 11.387 1.381 -7.462 1.00 63.02 H new ATOM 0 HB3 LYS A 79 11.892 2.904 -8.167 1.00 63.02 H new ATOM 0 HG2 LYS A 79 12.126 2.438 -5.190 1.00 25.31 H new ATOM 0 HG3 LYS A 79 13.343 1.821 -6.290 1.00 25.31 H new ATOM 0 HD2 LYS A 79 13.002 4.448 -7.161 1.00 61.05 H new ATOM 0 HD3 LYS A 79 12.822 4.590 -5.424 1.00 61.05 H new ATOM 0 HE2 LYS A 79 15.017 2.846 -5.784 1.00 21.24 H new ATOM 0 HE3 LYS A 79 15.227 4.090 -7.000 1.00 21.24 H new ATOM 0 HZ1 LYS A 79 16.282 4.706 -4.925 1.00 52.43 H new ATOM 0 HZ2 LYS A 79 15.013 5.779 -5.271 1.00 52.43 H new ATOM 0 HZ3 LYS A 79 14.809 4.574 -4.092 1.00 52.43 H new ATOM 1139 N ILE A 80 8.862 1.395 -5.707 1.00 25.25 N ATOM 1140 CA ILE A 80 8.306 0.717 -4.542 1.00 24.14 C ATOM 1141 C ILE A 80 9.179 -0.463 -4.125 1.00 3.30 C ATOM 1142 O ILE A 80 9.421 -1.380 -4.910 1.00 42.22 O ATOM 1143 CB ILE A 80 6.878 0.213 -4.814 1.00 14.42 C ATOM 1144 CG1 ILE A 80 6.029 1.325 -5.431 1.00 42.15 C ATOM 1145 CG2 ILE A 80 6.241 -0.294 -3.527 1.00 11.02 C ATOM 1146 CD1 ILE A 80 6.079 1.356 -6.943 1.00 4.04 C ATOM 0 H ILE A 80 8.583 0.994 -6.602 1.00 25.25 H new ATOM 0 HA ILE A 80 8.277 1.448 -3.734 1.00 24.14 H new ATOM 0 HB ILE A 80 6.930 -0.614 -5.522 1.00 14.42 H new ATOM 0 HG12 ILE A 80 4.994 1.200 -5.112 1.00 42.15 H new ATOM 0 HG13 ILE A 80 6.368 2.286 -5.045 1.00 42.15 H new ATOM 0 HG21 ILE A 80 5.231 -0.647 -3.735 1.00 11.02 H new ATOM 0 HG22 ILE A 80 6.836 -1.114 -3.125 1.00 11.02 H new ATOM 0 HG23 ILE A 80 6.199 0.516 -2.798 1.00 11.02 H new ATOM 0 HD11 ILE A 80 5.454 2.169 -7.311 1.00 4.04 H new ATOM 0 HD12 ILE A 80 7.107 1.512 -7.270 1.00 4.04 H new ATOM 0 HD13 ILE A 80 5.712 0.409 -7.339 1.00 4.04 H new ATOM 1203 N SER A 85 12.829 -5.075 -9.069 1.00 43.22 N ATOM 1204 CA SER A 85 12.600 -4.480 -10.380 1.00 72.30 C ATOM 1205 C SER A 85 12.832 -2.972 -10.342 1.00 12.13 C ATOM 1206 O SER A 85 13.698 -2.449 -11.042 1.00 24.14 O ATOM 1207 CB SER A 85 11.176 -4.776 -10.857 1.00 24.04 C ATOM 1208 OG SER A 85 11.183 -5.380 -12.138 1.00 15.44 O ATOM 0 HA SER A 85 13.310 -4.922 -11.080 1.00 72.30 H new ATOM 0 HB2 SER A 85 10.680 -5.434 -10.144 1.00 24.04 H new ATOM 0 HB3 SER A 85 10.601 -3.851 -10.891 1.00 24.04 H new ATOM 0 HG SER A 85 10.262 -5.561 -12.420 1.00 15.44 H new ATOM 1213 N GLU A 86 12.050 -2.280 -9.518 1.00 32.41 N ATOM 1214 CA GLU A 86 12.169 -0.833 -9.389 1.00 63.52 C ATOM 1215 C GLU A 86 12.172 -0.163 -10.760 1.00 4.10 C ATOM 1216 O GLU A 86 13.212 0.243 -11.279 1.00 33.43 O ATOM 1217 CB GLU A 86 13.448 -0.471 -8.630 1.00 54.50 C ATOM 1218 CG GLU A 86 13.680 -1.317 -7.390 1.00 40.20 C ATOM 1219 CD GLU A 86 14.925 -0.908 -6.628 1.00 71.32 C ATOM 1220 OE1 GLU A 86 16.038 -1.100 -7.163 1.00 42.55 O ATOM 1221 OE2 GLU A 86 14.787 -0.396 -5.498 1.00 23.24 O ATOM 0 H GLU A 86 11.328 -2.698 -8.931 1.00 32.41 H new ATOM 0 HA GLU A 86 11.307 -0.471 -8.829 1.00 63.52 H new ATOM 0 HB2 GLU A 86 14.301 -0.581 -9.299 1.00 54.50 H new ATOM 0 HB3 GLU A 86 13.404 0.579 -8.340 1.00 54.50 H new ATOM 0 HG2 GLU A 86 12.814 -1.237 -6.733 1.00 40.20 H new ATOM 0 HG3 GLU A 86 13.764 -2.364 -7.680 1.00 40.20 H new ATOM 1226 N PRO A 87 10.979 -0.043 -11.362 1.00 41.12 N ATOM 1227 CA PRO A 87 10.816 0.578 -12.680 1.00 65.41 C ATOM 1228 C PRO A 87 11.060 2.083 -12.646 1.00 22.33 C ATOM 1229 O PRO A 87 11.176 2.726 -13.689 1.00 53.23 O ATOM 1230 CB PRO A 87 9.357 0.280 -13.033 1.00 74.23 C ATOM 1231 CG PRO A 87 8.676 0.108 -11.720 1.00 25.13 C ATOM 1232 CD PRO A 87 9.697 -0.503 -10.801 1.00 24.24 C ATOM 0 HA PRO A 87 11.532 0.191 -13.405 1.00 65.41 H new ATOM 0 HB2 PRO A 87 8.914 1.095 -13.605 1.00 74.23 H new ATOM 0 HB3 PRO A 87 9.273 -0.619 -13.643 1.00 74.23 H new ATOM 0 HG2 PRO A 87 8.326 1.065 -11.333 1.00 25.13 H new ATOM 0 HG3 PRO A 87 7.802 -0.536 -11.815 1.00 25.13 H new ATOM 0 HD2 PRO A 87 9.565 -0.167 -9.773 1.00 24.24 H new ATOM 0 HD3 PRO A 87 9.630 -1.591 -10.792 1.00 24.24 H new ATOM 1237 N TYR A 88 11.138 2.638 -11.441 1.00 73.04 N ATOM 1238 CA TYR A 88 11.366 4.067 -11.273 1.00 64.13 C ATOM 1239 C TYR A 88 10.384 4.879 -12.112 1.00 71.33 C ATOM 1240 O TYR A 88 10.671 5.232 -13.256 1.00 61.32 O ATOM 1241 CB TYR A 88 12.802 4.426 -11.661 1.00 4.54 C ATOM 1242 CG TYR A 88 13.835 3.475 -11.098 1.00 41.31 C ATOM 1243 CD1 TYR A 88 13.995 3.325 -9.725 1.00 75.24 C ATOM 1244 CD2 TYR A 88 14.653 2.729 -11.938 1.00 55.42 C ATOM 1245 CE1 TYR A 88 14.938 2.458 -9.208 1.00 24.31 C ATOM 1246 CE2 TYR A 88 15.596 1.859 -11.429 1.00 63.55 C ATOM 1247 CZ TYR A 88 15.736 1.728 -10.063 1.00 62.12 C ATOM 1248 OH TYR A 88 16.677 0.864 -9.552 1.00 31.11 O ATOM 0 H TYR A 88 11.047 2.120 -10.567 1.00 73.04 H new ATOM 0 HA TYR A 88 11.208 4.312 -10.223 1.00 64.13 H new ATOM 0 HB2 TYR A 88 12.884 4.437 -12.748 1.00 4.54 H new ATOM 0 HB3 TYR A 88 13.022 5.436 -11.314 1.00 4.54 H new ATOM 0 HD1 TYR A 88 13.372 3.895 -9.052 1.00 75.24 H new ATOM 0 HD2 TYR A 88 14.549 2.832 -13.008 1.00 55.42 H new ATOM 0 HE1 TYR A 88 15.050 2.353 -8.139 1.00 24.31 H new ATOM 0 HE2 TYR A 88 16.221 1.284 -12.097 1.00 63.55 H new ATOM 0 HH TYR A 88 16.282 0.346 -8.820 1.00 31.11 H new ATOM 1257 N PHE A 89 9.224 5.173 -11.534 1.00 34.22 N ATOM 1258 CA PHE A 89 8.197 5.942 -12.228 1.00 33.32 C ATOM 1259 C PHE A 89 8.357 7.435 -11.951 1.00 34.13 C ATOM 1260 O PHE A 89 9.308 7.858 -11.297 1.00 31.35 O ATOM 1261 CB PHE A 89 6.804 5.478 -11.798 1.00 43.32 C ATOM 1262 CG PHE A 89 6.474 4.082 -12.242 1.00 32.13 C ATOM 1263 CD1 PHE A 89 6.443 3.757 -13.589 1.00 51.40 C ATOM 1264 CD2 PHE A 89 6.195 3.093 -11.312 1.00 13.44 C ATOM 1265 CE1 PHE A 89 6.138 2.473 -13.999 1.00 70.01 C ATOM 1266 CE2 PHE A 89 5.890 1.807 -11.717 1.00 34.15 C ATOM 1267 CZ PHE A 89 5.863 1.496 -13.062 1.00 52.15 C ATOM 0 H PHE A 89 8.971 4.891 -10.587 1.00 34.22 H new ATOM 0 HA PHE A 89 8.313 5.774 -13.299 1.00 33.32 H new ATOM 0 HB2 PHE A 89 6.731 5.532 -10.712 1.00 43.32 H new ATOM 0 HB3 PHE A 89 6.060 6.165 -12.202 1.00 43.32 H new ATOM 0 HD1 PHE A 89 6.660 4.516 -14.326 1.00 51.40 H new ATOM 0 HD2 PHE A 89 6.216 3.330 -10.259 1.00 13.44 H new ATOM 0 HE1 PHE A 89 6.115 2.233 -15.052 1.00 70.01 H new ATOM 0 HE2 PHE A 89 5.673 1.046 -10.982 1.00 34.15 H new ATOM 0 HZ PHE A 89 5.627 0.491 -13.381 1.00 52.15 H new ATOM 1276 N GLY A 90 7.417 8.227 -12.457 1.00 41.32 N ATOM 1277 CA GLY A 90 7.471 9.664 -12.255 1.00 30.32 C ATOM 1278 C GLY A 90 7.218 10.057 -10.813 1.00 31.44 C ATOM 1279 O GLY A 90 8.132 10.489 -10.111 1.00 23.34 O ATOM 0 H GLY A 90 6.620 7.900 -13.003 1.00 41.32 H new ATOM 0 HA2 GLY A 90 8.449 10.035 -12.563 1.00 30.32 H new ATOM 0 HA3 GLY A 90 6.731 10.146 -12.895 1.00 30.32 H new ATOM 1283 N SER A 91 5.974 9.907 -10.369 1.00 74.32 N ATOM 1284 CA SER A 91 5.603 10.254 -9.003 1.00 55.00 C ATOM 1285 C SER A 91 4.659 9.209 -8.414 1.00 41.05 C ATOM 1286 O SER A 91 4.377 8.187 -9.041 1.00 73.02 O ATOM 1287 CB SER A 91 4.940 11.633 -8.967 1.00 64.43 C ATOM 1288 OG SER A 91 5.720 12.553 -8.222 1.00 11.22 O ATOM 0 H SER A 91 5.206 9.547 -10.936 1.00 74.32 H new ATOM 0 HA SER A 91 6.512 10.279 -8.401 1.00 55.00 H new ATOM 0 HB2 SER A 91 4.807 12.003 -9.984 1.00 64.43 H new ATOM 0 HB3 SER A 91 3.947 11.551 -8.525 1.00 64.43 H new ATOM 0 HG SER A 91 5.277 13.427 -8.215 1.00 11.22 H new ATOM 1293 N LEU A 92 4.174 9.473 -7.207 1.00 4.33 N ATOM 1294 CA LEU A 92 3.262 8.557 -6.530 1.00 73.41 C ATOM 1295 C LEU A 92 2.083 8.199 -7.431 1.00 63.14 C ATOM 1296 O LEU A 92 1.593 7.071 -7.409 1.00 75.45 O ATOM 1297 CB LEU A 92 2.754 9.179 -5.229 1.00 53.42 C ATOM 1298 CG LEU A 92 3.627 8.958 -3.994 1.00 4.51 C ATOM 1299 CD1 LEU A 92 3.028 9.659 -2.785 1.00 2.43 C ATOM 1300 CD2 LEU A 92 3.798 7.471 -3.721 1.00 1.00 C ATOM 0 H LEU A 92 4.397 10.315 -6.676 1.00 4.33 H new ATOM 0 HA LEU A 92 3.810 7.644 -6.298 1.00 73.41 H new ATOM 0 HB2 LEU A 92 2.642 10.252 -5.382 1.00 53.42 H new ATOM 0 HB3 LEU A 92 1.761 8.781 -5.023 1.00 53.42 H new ATOM 0 HG LEU A 92 4.611 9.387 -4.186 1.00 4.51 H new ATOM 0 HD11 LEU A 92 3.663 9.491 -1.915 1.00 2.43 H new ATOM 0 HD12 LEU A 92 2.959 10.729 -2.982 1.00 2.43 H new ATOM 0 HD13 LEU A 92 2.032 9.261 -2.590 1.00 2.43 H new ATOM 0 HD21 LEU A 92 4.422 7.333 -2.838 1.00 1.00 H new ATOM 0 HD22 LEU A 92 2.822 7.018 -3.550 1.00 1.00 H new ATOM 0 HD23 LEU A 92 4.273 6.996 -4.579 1.00 1.00 H new ATOM 1311 N SER A 93 1.636 9.169 -8.224 1.00 4.43 N ATOM 1312 CA SER A 93 0.514 8.957 -9.130 1.00 72.42 C ATOM 1313 C SER A 93 0.908 8.026 -10.273 1.00 71.23 C ATOM 1314 O SER A 93 0.098 7.229 -10.746 1.00 54.31 O ATOM 1315 CB SER A 93 0.025 10.294 -9.692 1.00 63.21 C ATOM 1316 OG SER A 93 -1.206 10.674 -9.104 1.00 14.52 O ATOM 0 H SER A 93 2.034 10.108 -8.257 1.00 4.43 H new ATOM 0 HA SER A 93 -0.294 8.491 -8.566 1.00 72.42 H new ATOM 0 HB2 SER A 93 0.773 11.065 -9.508 1.00 63.21 H new ATOM 0 HB3 SER A 93 -0.093 10.216 -10.773 1.00 63.21 H new ATOM 0 HG SER A 93 -1.496 11.532 -9.478 1.00 14.52 H new ATOM 1321 N ALA A 94 2.157 8.134 -10.712 1.00 22.13 N ATOM 1322 CA ALA A 94 2.660 7.301 -11.797 1.00 61.44 C ATOM 1323 C ALA A 94 2.732 5.837 -11.379 1.00 52.21 C ATOM 1324 O ALA A 94 2.316 4.947 -12.122 1.00 32.02 O ATOM 1325 CB ALA A 94 4.030 7.791 -12.247 1.00 55.13 C ATOM 0 H ALA A 94 2.840 8.790 -10.333 1.00 22.13 H new ATOM 0 HA ALA A 94 1.965 7.379 -12.633 1.00 61.44 H new ATOM 0 HB1 ALA A 94 4.394 7.160 -13.058 1.00 55.13 H new ATOM 0 HB2 ALA A 94 3.952 8.821 -12.596 1.00 55.13 H new ATOM 0 HB3 ALA A 94 4.726 7.744 -11.410 1.00 55.13 H new ATOM 1331 N LEU A 95 3.261 5.593 -10.186 1.00 4.33 N ATOM 1332 CA LEU A 95 3.387 4.235 -9.667 1.00 11.35 C ATOM 1333 C LEU A 95 2.026 3.676 -9.266 1.00 43.44 C ATOM 1334 O LEU A 95 1.791 2.470 -9.343 1.00 53.12 O ATOM 1335 CB LEU A 95 4.334 4.213 -8.466 1.00 14.41 C ATOM 1336 CG LEU A 95 4.013 5.196 -7.339 1.00 62.55 C ATOM 1337 CD1 LEU A 95 2.984 4.604 -6.391 1.00 3.44 C ATOM 1338 CD2 LEU A 95 5.280 5.576 -6.587 1.00 14.42 C ATOM 0 H LEU A 95 3.610 6.318 -9.559 1.00 4.33 H new ATOM 0 HA LEU A 95 3.798 3.607 -10.458 1.00 11.35 H new ATOM 0 HB2 LEU A 95 4.339 3.205 -8.051 1.00 14.41 H new ATOM 0 HB3 LEU A 95 5.344 4.416 -8.822 1.00 14.41 H new ATOM 0 HG LEU A 95 3.591 6.100 -7.779 1.00 62.55 H new ATOM 0 HD11 LEU A 95 2.769 5.318 -5.596 1.00 3.44 H new ATOM 0 HD12 LEU A 95 2.068 4.384 -6.939 1.00 3.44 H new ATOM 0 HD13 LEU A 95 3.376 3.685 -5.956 1.00 3.44 H new ATOM 0 HD21 LEU A 95 5.033 6.276 -5.789 1.00 14.42 H new ATOM 0 HD22 LEU A 95 5.731 4.681 -6.158 1.00 14.42 H new ATOM 0 HD23 LEU A 95 5.985 6.044 -7.275 1.00 14.42 H new ATOM 1349 N VAL A 96 1.131 4.562 -8.840 1.00 15.21 N ATOM 1350 CA VAL A 96 -0.210 4.158 -8.432 1.00 2.44 C ATOM 1351 C VAL A 96 -1.038 3.707 -9.629 1.00 5.11 C ATOM 1352 O VAL A 96 -1.753 2.707 -9.562 1.00 41.33 O ATOM 1353 CB VAL A 96 -0.947 5.304 -7.713 1.00 23.44 C ATOM 1354 CG1 VAL A 96 -2.453 5.136 -7.845 1.00 4.14 C ATOM 1355 CG2 VAL A 96 -0.535 5.367 -6.250 1.00 42.24 C ATOM 0 H VAL A 96 1.310 5.564 -8.768 1.00 15.21 H new ATOM 0 HA VAL A 96 -0.092 3.322 -7.742 1.00 2.44 H new ATOM 0 HB VAL A 96 -0.668 6.246 -8.186 1.00 23.44 H new ATOM 0 HG11 VAL A 96 -2.957 5.955 -7.331 1.00 4.14 H new ATOM 0 HG12 VAL A 96 -2.729 5.145 -8.899 1.00 4.14 H new ATOM 0 HG13 VAL A 96 -2.754 4.188 -7.399 1.00 4.14 H new ATOM 0 HG21 VAL A 96 -1.065 6.182 -5.757 1.00 42.24 H new ATOM 0 HG22 VAL A 96 -0.783 4.425 -5.761 1.00 42.24 H new ATOM 0 HG23 VAL A 96 0.539 5.539 -6.182 1.00 42.24 H new ATOM 1365 N SER A 97 -0.935 4.451 -10.725 1.00 53.12 N ATOM 1366 CA SER A 97 -1.678 4.131 -11.939 1.00 11.12 C ATOM 1367 C SER A 97 -1.098 2.895 -12.621 1.00 3.23 C ATOM 1368 O SER A 97 -1.834 2.054 -13.134 1.00 34.55 O ATOM 1369 CB SER A 97 -1.656 5.317 -12.904 1.00 52.14 C ATOM 1370 OG SER A 97 -2.960 5.835 -13.105 1.00 71.42 O ATOM 0 H SER A 97 -0.345 5.280 -10.798 1.00 53.12 H new ATOM 0 HA SER A 97 -2.710 3.920 -11.658 1.00 11.12 H new ATOM 0 HB2 SER A 97 -1.007 6.099 -12.509 1.00 52.14 H new ATOM 0 HB3 SER A 97 -1.234 5.005 -13.859 1.00 52.14 H new ATOM 0 HG SER A 97 -2.919 6.593 -13.724 1.00 71.42 H new ATOM 1375 N GLN A 98 0.228 2.795 -12.619 1.00 34.01 N ATOM 1376 CA GLN A 98 0.908 1.663 -13.238 1.00 61.21 C ATOM 1377 C GLN A 98 0.613 0.371 -12.483 1.00 54.21 C ATOM 1378 O GLN A 98 0.620 -0.715 -13.063 1.00 2.34 O ATOM 1379 CB GLN A 98 2.417 1.909 -13.281 1.00 71.51 C ATOM 1380 CG GLN A 98 2.847 2.861 -14.387 1.00 1.52 C ATOM 1381 CD GLN A 98 3.193 2.141 -15.675 1.00 5.21 C ATOM 1382 OE1 GLN A 98 2.509 2.498 -16.755 1.00 65.40 O flip ATOM 1383 NE2 GLN A 98 4.066 1.273 -15.699 1.00 35.25 N flip ATOM 0 H GLN A 98 0.851 3.483 -12.196 1.00 34.01 H new ATOM 0 HA GLN A 98 0.534 1.560 -14.257 1.00 61.21 H new ATOM 0 HB2 GLN A 98 2.739 2.312 -12.321 1.00 71.51 H new ATOM 0 HB3 GLN A 98 2.929 0.956 -13.414 1.00 71.51 H new ATOM 0 HG2 GLN A 98 2.046 3.575 -14.578 1.00 1.52 H new ATOM 0 HG3 GLN A 98 3.712 3.434 -14.052 1.00 1.52 H new ATOM 0 HE21 GLN A 98 4.567 1.030 -14.845 1.00 35.25 H new ATOM 0 HE22 GLN A 98 4.288 0.797 -16.573 1.00 35.25 H new ATOM 1390 N HIS A 99 0.353 0.496 -11.185 1.00 63.41 N ATOM 1391 CA HIS A 99 0.055 -0.661 -10.350 1.00 24.43 C ATOM 1392 C HIS A 99 -1.326 -1.223 -10.671 1.00 42.14 C ATOM 1393 O HIS A 99 -1.710 -2.279 -10.168 1.00 72.23 O ATOM 1394 CB HIS A 99 0.134 -0.284 -8.871 1.00 5.43 C ATOM 1395 CG HIS A 99 1.507 -0.420 -8.289 1.00 22.25 C ATOM 1396 ND1 HIS A 99 1.916 -0.562 -7.006 1.00 65.45 N flip ATOM 1397 CD2 HIS A 99 2.653 -0.419 -9.055 1.00 31.21 C flip ATOM 1398 CE1 HIS A 99 3.287 -0.643 -7.021 1.00 42.14 C flip ATOM 1399 NE2 HIS A 99 3.707 -0.555 -8.270 1.00 11.03 N flip ATOM 0 H HIS A 99 0.343 1.387 -10.689 1.00 63.41 H new ATOM 0 HA HIS A 99 0.798 -1.430 -10.561 1.00 24.43 H new ATOM 0 HB2 HIS A 99 -0.203 0.745 -8.749 1.00 5.43 H new ATOM 0 HB3 HIS A 99 -0.554 -0.914 -8.307 1.00 5.43 H new ATOM 0 HD2 HIS A 99 2.684 -0.322 -10.130 1.00 31.21 H new ATOM 0 HE1 HIS A 99 3.919 -0.760 -6.153 1.00 42.14 H new ATOM 0 HE2 HIS A 99 4.679 -0.587 -8.576 1.00 11.03 H new ATOM 1406 N SER A 100 -2.069 -0.509 -11.511 1.00 44.02 N ATOM 1407 CA SER A 100 -3.410 -0.932 -11.895 1.00 35.43 C ATOM 1408 C SER A 100 -3.368 -1.778 -13.165 1.00 13.54 C ATOM 1409 O SER A 100 -4.390 -2.307 -13.604 1.00 42.04 O ATOM 1410 CB SER A 100 -4.311 0.286 -12.110 1.00 31.52 C ATOM 1411 OG SER A 100 -5.667 -0.032 -11.851 1.00 33.12 O ATOM 0 H SER A 100 -1.764 0.365 -11.939 1.00 44.02 H new ATOM 0 HA SER A 100 -3.819 -1.538 -11.087 1.00 35.43 H new ATOM 0 HB2 SER A 100 -3.993 1.098 -11.456 1.00 31.52 H new ATOM 0 HB3 SER A 100 -4.207 0.643 -13.135 1.00 31.52 H new ATOM 0 HG SER A 100 -6.222 0.763 -11.994 1.00 33.12 H new ATOM 1416 N ILE A 101 -2.181 -1.903 -13.747 1.00 61.11 N ATOM 1417 CA ILE A 101 -2.006 -2.685 -14.964 1.00 23.12 C ATOM 1418 C ILE A 101 -0.825 -3.642 -14.838 1.00 1.50 C ATOM 1419 O ILE A 101 -0.884 -4.781 -15.301 1.00 51.01 O ATOM 1420 CB ILE A 101 -1.787 -1.778 -16.190 1.00 10.54 C ATOM 1421 CG1 ILE A 101 -2.942 -0.784 -16.329 1.00 32.11 C ATOM 1422 CG2 ILE A 101 -1.647 -2.617 -17.451 1.00 55.24 C ATOM 1423 CD1 ILE A 101 -2.707 0.272 -17.387 1.00 31.14 C ATOM 0 H ILE A 101 -1.326 -1.473 -13.395 1.00 61.11 H new ATOM 0 HA ILE A 101 -2.922 -3.258 -15.104 1.00 23.12 H new ATOM 0 HB ILE A 101 -0.864 -1.215 -16.048 1.00 10.54 H new ATOM 0 HG12 ILE A 101 -3.854 -1.331 -16.569 1.00 32.11 H new ATOM 0 HG13 ILE A 101 -3.107 -0.295 -15.369 1.00 32.11 H new ATOM 0 HG21 ILE A 101 -1.493 -1.962 -18.309 1.00 55.24 H new ATOM 0 HG22 ILE A 101 -0.794 -3.288 -17.349 1.00 55.24 H new ATOM 0 HG23 ILE A 101 -2.554 -3.203 -17.601 1.00 55.24 H new ATOM 0 HD11 ILE A 101 -3.566 0.941 -17.430 1.00 31.14 H new ATOM 0 HD12 ILE A 101 -1.813 0.844 -17.138 1.00 31.14 H new ATOM 0 HD13 ILE A 101 -2.572 -0.208 -18.356 1.00 31.14 H new ATOM 1434 N SER A 102 0.245 -3.173 -14.204 1.00 3.12 N ATOM 1435 CA SER A 102 1.440 -3.986 -14.016 1.00 71.40 C ATOM 1436 C SER A 102 1.702 -4.234 -12.534 1.00 62.30 C ATOM 1437 O SER A 102 2.607 -3.655 -11.933 1.00 30.52 O ATOM 1438 CB SER A 102 2.652 -3.304 -14.654 1.00 20.24 C ATOM 1439 OG SER A 102 2.287 -2.620 -15.840 1.00 74.50 O ATOM 0 H SER A 102 0.308 -2.234 -13.812 1.00 3.12 H new ATOM 0 HA SER A 102 1.275 -4.947 -14.503 1.00 71.40 H new ATOM 0 HB2 SER A 102 3.092 -2.602 -13.946 1.00 20.24 H new ATOM 0 HB3 SER A 102 3.415 -4.049 -14.880 1.00 20.24 H new ATOM 0 HG SER A 102 3.079 -2.191 -16.227 1.00 74.50 H new ATOM 1444 N PRO A 103 0.892 -5.115 -11.930 1.00 24.21 N ATOM 1445 CA PRO A 103 1.016 -5.461 -10.511 1.00 22.21 C ATOM 1446 C PRO A 103 2.276 -6.269 -10.219 1.00 33.44 C ATOM 1447 O PRO A 103 2.228 -7.497 -10.124 1.00 31.32 O ATOM 1448 CB PRO A 103 -0.234 -6.301 -10.240 1.00 4.03 C ATOM 1449 CG PRO A 103 -0.599 -6.875 -11.564 1.00 34.42 C ATOM 1450 CD PRO A 103 -0.207 -5.842 -12.586 1.00 14.44 C ATOM 0 HA PRO A 103 1.095 -4.575 -9.881 1.00 22.21 H new ATOM 0 HB2 PRO A 103 -0.033 -7.085 -9.510 1.00 4.03 H new ATOM 0 HB3 PRO A 103 -1.042 -5.690 -9.837 1.00 4.03 H new ATOM 0 HG2 PRO A 103 -0.076 -7.815 -11.739 1.00 34.42 H new ATOM 0 HG3 PRO A 103 -1.666 -7.089 -11.615 1.00 34.42 H new ATOM 0 HD2 PRO A 103 0.116 -6.303 -13.520 1.00 14.44 H new ATOM 0 HD3 PRO A 103 -1.039 -5.180 -12.828 1.00 14.44 H new ATOM 1455 N ILE A 104 3.400 -5.576 -10.077 1.00 34.23 N ATOM 1456 CA ILE A 104 4.671 -6.231 -9.795 1.00 0.32 C ATOM 1457 C ILE A 104 4.767 -6.637 -8.328 1.00 41.24 C ATOM 1458 O ILE A 104 4.671 -7.817 -7.992 1.00 53.15 O ATOM 1459 CB ILE A 104 5.863 -5.321 -10.143 1.00 71.31 C ATOM 1460 CG1 ILE A 104 5.827 -4.941 -11.625 1.00 60.33 C ATOM 1461 CG2 ILE A 104 7.175 -6.011 -9.800 1.00 41.51 C ATOM 1462 CD1 ILE A 104 6.660 -3.723 -11.957 1.00 44.40 C ATOM 0 H ILE A 104 3.457 -4.560 -10.153 1.00 34.23 H new ATOM 0 HA ILE A 104 4.711 -7.123 -10.420 1.00 0.32 H new ATOM 0 HB ILE A 104 5.789 -4.409 -9.551 1.00 71.31 H new ATOM 0 HG12 ILE A 104 6.181 -5.785 -12.217 1.00 60.33 H new ATOM 0 HG13 ILE A 104 4.794 -4.756 -11.919 1.00 60.33 H new ATOM 0 HG21 ILE A 104 8.008 -5.355 -10.052 1.00 41.51 H new ATOM 0 HG22 ILE A 104 7.200 -6.236 -8.734 1.00 41.51 H new ATOM 0 HG23 ILE A 104 7.258 -6.937 -10.368 1.00 41.51 H new ATOM 0 HD11 ILE A 104 6.587 -3.512 -13.024 1.00 44.40 H new ATOM 0 HD12 ILE A 104 6.293 -2.866 -11.392 1.00 44.40 H new ATOM 0 HD13 ILE A 104 7.701 -3.912 -11.694 1.00 44.40 H new ATOM 1473 N SER A 105 4.955 -5.649 -7.458 1.00 41.44 N ATOM 1474 CA SER A 105 5.065 -5.902 -6.027 1.00 10.35 C ATOM 1475 C SER A 105 3.762 -6.470 -5.473 1.00 33.34 C ATOM 1476 O SER A 105 3.749 -7.121 -4.427 1.00 73.40 O ATOM 1477 CB SER A 105 5.428 -4.614 -5.285 1.00 75.12 C ATOM 1478 OG SER A 105 4.563 -4.399 -4.184 1.00 40.52 O ATOM 0 H SER A 105 5.034 -4.666 -7.720 1.00 41.44 H new ATOM 0 HA SER A 105 5.856 -6.636 -5.874 1.00 10.35 H new ATOM 0 HB2 SER A 105 6.459 -4.670 -4.936 1.00 75.12 H new ATOM 0 HB3 SER A 105 5.369 -3.767 -5.969 1.00 75.12 H new ATOM 0 HG SER A 105 5.011 -4.675 -3.357 1.00 40.52 H new ATOM 1483 N LEU A 106 2.667 -6.220 -6.182 1.00 35.32 N ATOM 1484 CA LEU A 106 1.356 -6.707 -5.764 1.00 41.31 C ATOM 1485 C LEU A 106 0.911 -7.884 -6.626 1.00 5.24 C ATOM 1486 O LEU A 106 1.388 -8.082 -7.742 1.00 73.53 O ATOM 1487 CB LEU A 106 0.323 -5.581 -5.845 1.00 60.21 C ATOM 1488 CG LEU A 106 0.880 -4.158 -5.839 1.00 44.45 C ATOM 1489 CD1 LEU A 106 -0.230 -3.150 -6.095 1.00 61.14 C ATOM 1490 CD2 LEU A 106 1.576 -3.862 -4.518 1.00 12.04 C ATOM 0 H LEU A 106 2.660 -5.683 -7.049 1.00 35.32 H new ATOM 0 HA LEU A 106 1.434 -7.047 -4.731 1.00 41.31 H new ATOM 0 HB2 LEU A 106 -0.262 -5.717 -6.754 1.00 60.21 H new ATOM 0 HB3 LEU A 106 -0.364 -5.684 -5.005 1.00 60.21 H new ATOM 0 HG LEU A 106 1.614 -4.073 -6.640 1.00 44.45 H new ATOM 0 HD11 LEU A 106 0.185 -2.142 -6.087 1.00 61.14 H new ATOM 0 HD12 LEU A 106 -0.684 -3.348 -7.066 1.00 61.14 H new ATOM 0 HD13 LEU A 106 -0.987 -3.237 -5.316 1.00 61.14 H new ATOM 0 HD21 LEU A 106 1.966 -2.844 -4.532 1.00 12.04 H new ATOM 0 HD22 LEU A 106 0.863 -3.966 -3.700 1.00 12.04 H new ATOM 0 HD23 LEU A 106 2.398 -4.564 -4.374 1.00 12.04 H new ATOM 1501 N PRO A 107 -0.026 -8.685 -6.096 1.00 64.45 N ATOM 1502 CA PRO A 107 -0.557 -9.854 -6.801 1.00 12.53 C ATOM 1503 C PRO A 107 -1.423 -9.467 -7.996 1.00 1.41 C ATOM 1504 O PRO A 107 -1.272 -10.018 -9.087 1.00 53.11 O ATOM 1505 CB PRO A 107 -1.402 -10.557 -5.735 1.00 34.11 C ATOM 1506 CG PRO A 107 -1.789 -9.477 -4.785 1.00 73.03 C ATOM 1507 CD PRO A 107 -0.639 -8.508 -4.769 1.00 1.34 C ATOM 0 HA PRO A 107 0.237 -10.476 -7.215 1.00 12.53 H new ATOM 0 HB2 PRO A 107 -2.280 -11.031 -6.175 1.00 34.11 H new ATOM 0 HB3 PRO A 107 -0.834 -11.341 -5.233 1.00 34.11 H new ATOM 0 HG2 PRO A 107 -2.708 -8.986 -5.105 1.00 73.03 H new ATOM 0 HG3 PRO A 107 -1.973 -9.881 -3.789 1.00 73.03 H new ATOM 0 HD2 PRO A 107 -0.979 -7.484 -4.617 1.00 1.34 H new ATOM 0 HD3 PRO A 107 0.065 -8.733 -3.968 1.00 1.34 H new ATOM 1512 N CYS A 108 -2.327 -8.518 -7.783 1.00 12.21 N ATOM 1513 CA CYS A 108 -3.217 -8.058 -8.842 1.00 70.21 C ATOM 1514 C CYS A 108 -3.280 -6.534 -8.876 1.00 14.22 C ATOM 1515 O CYS A 108 -2.897 -5.865 -7.915 1.00 13.05 O ATOM 1516 CB CYS A 108 -4.619 -8.636 -8.646 1.00 42.34 C ATOM 1517 SG CYS A 108 -4.984 -10.061 -9.696 1.00 14.33 S ATOM 0 H CYS A 108 -2.463 -8.052 -6.886 1.00 12.21 H new ATOM 0 HA CYS A 108 -2.819 -8.408 -9.795 1.00 70.21 H new ATOM 0 HB2 CYS A 108 -4.737 -8.928 -7.602 1.00 42.34 H new ATOM 0 HB3 CYS A 108 -5.353 -7.855 -8.844 1.00 42.34 H new ATOM 0 HG CYS A 108 -6.191 -10.479 -9.455 1.00 14.33 H new ATOM 1522 N CYS A 109 -3.766 -5.992 -9.987 1.00 53.01 N ATOM 1523 CA CYS A 109 -3.878 -4.546 -10.146 1.00 60.04 C ATOM 1524 C CYS A 109 -4.594 -3.921 -8.954 1.00 4.33 C ATOM 1525 O CYS A 109 -5.702 -4.328 -8.598 1.00 23.55 O ATOM 1526 CB CYS A 109 -4.624 -4.211 -11.437 1.00 53.15 C ATOM 1527 SG CYS A 109 -6.166 -5.130 -11.660 1.00 1.45 S ATOM 0 H CYS A 109 -4.089 -6.531 -10.791 1.00 53.01 H new ATOM 0 HA CYS A 109 -2.871 -4.132 -10.199 1.00 60.04 H new ATOM 0 HB2 CYS A 109 -4.845 -3.144 -11.450 1.00 53.15 H new ATOM 0 HB3 CYS A 109 -3.969 -4.411 -12.285 1.00 53.15 H new ATOM 0 HG CYS A 109 -6.758 -5.269 -10.511 1.00 1.45 H new ATOM 1532 N LEU A 110 -3.955 -2.933 -8.338 1.00 50.54 N ATOM 1533 CA LEU A 110 -4.531 -2.252 -7.183 1.00 40.04 C ATOM 1534 C LEU A 110 -5.931 -1.735 -7.498 1.00 41.14 C ATOM 1535 O LEU A 110 -6.287 -1.546 -8.661 1.00 61.13 O ATOM 1536 CB LEU A 110 -3.632 -1.092 -6.749 1.00 73.44 C ATOM 1537 CG LEU A 110 -3.866 0.241 -7.460 1.00 73.15 C ATOM 1538 CD1 LEU A 110 -3.941 0.037 -8.965 1.00 60.13 C ATOM 1539 CD2 LEU A 110 -5.136 0.903 -6.946 1.00 51.42 C ATOM 0 H LEU A 110 -3.038 -2.585 -8.619 1.00 50.54 H new ATOM 0 HA LEU A 110 -4.604 -2.971 -6.367 1.00 40.04 H new ATOM 0 HB2 LEU A 110 -3.764 -0.938 -5.678 1.00 73.44 H new ATOM 0 HB3 LEU A 110 -2.594 -1.386 -6.903 1.00 73.44 H new ATOM 0 HG LEU A 110 -3.024 0.899 -7.245 1.00 73.15 H new ATOM 0 HD11 LEU A 110 -4.108 0.997 -9.454 1.00 60.13 H new ATOM 0 HD12 LEU A 110 -3.005 -0.394 -9.321 1.00 60.13 H new ATOM 0 HD13 LEU A 110 -4.764 -0.638 -9.200 1.00 60.13 H new ATOM 0 HD21 LEU A 110 -5.287 1.851 -7.463 1.00 51.42 H new ATOM 0 HD22 LEU A 110 -5.988 0.249 -7.131 1.00 51.42 H new ATOM 0 HD23 LEU A 110 -5.044 1.084 -5.875 1.00 51.42 H new ATOM 1550 N ARG A 111 -6.719 -1.505 -6.453 1.00 52.45 N ATOM 1551 CA ARG A 111 -8.081 -1.007 -6.618 1.00 32.32 C ATOM 1552 C ARG A 111 -8.145 0.495 -6.362 1.00 53.14 C ATOM 1553 O ARG A 111 -7.653 0.983 -5.345 1.00 65.11 O ATOM 1554 CB ARG A 111 -9.031 -1.738 -5.669 1.00 12.11 C ATOM 1555 CG ARG A 111 -10.230 -2.360 -6.367 1.00 3.40 C ATOM 1556 CD ARG A 111 -9.805 -3.448 -7.340 1.00 73.14 C ATOM 1557 NE ARG A 111 -10.862 -3.772 -8.295 1.00 52.11 N ATOM 1558 CZ ARG A 111 -11.253 -2.952 -9.264 1.00 61.11 C ATOM 1559 NH1 ARG A 111 -10.677 -1.767 -9.407 1.00 45.13 N ATOM 1560 NH2 ARG A 111 -12.222 -3.318 -10.094 1.00 1.12 N ATOM 0 H ARG A 111 -6.439 -1.655 -5.484 1.00 52.45 H new ATOM 0 HA ARG A 111 -8.389 -1.196 -7.646 1.00 32.32 H new ATOM 0 HB2 ARG A 111 -8.479 -2.520 -5.147 1.00 12.11 H new ATOM 0 HB3 ARG A 111 -9.385 -1.038 -4.912 1.00 12.11 H new ATOM 0 HG2 ARG A 111 -10.908 -2.780 -5.624 1.00 3.40 H new ATOM 0 HG3 ARG A 111 -10.782 -1.587 -6.902 1.00 3.40 H new ATOM 0 HD2 ARG A 111 -8.915 -3.124 -7.880 1.00 73.14 H new ATOM 0 HD3 ARG A 111 -9.531 -4.345 -6.784 1.00 73.14 H new ATOM 0 HE ARG A 111 -11.325 -4.677 -8.213 1.00 52.11 H new ATOM 0 HH11 ARG A 111 -9.931 -1.482 -8.772 1.00 45.13 H new ATOM 0 HH12 ARG A 111 -10.979 -1.140 -10.152 1.00 45.13 H new ATOM 0 HH21 ARG A 111 -12.667 -4.230 -9.988 1.00 1.12 H new ATOM 0 HH22 ARG A 111 -12.522 -2.688 -10.838 1.00 1.12 H new