USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 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 Set 1.1: A 79 LYS NZ :NH3+ -176:sc= 0.682 (180deg=0.644) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -165:sc= 0.00613 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= -0.332 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.25) 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= -0.146 K(o=-0.15,f=-0.8) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= -0.0108 (180deg=-0.183) USER MOD Single : A 68 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.036) 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 85 SER OG : rot 38:sc= 0.00934 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 80:sc= 0.88 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 99 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-4.4!) USER MOD Single : A 100 SER OG : rot -77:sc= 0.0945 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= 0.0192 USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 -9.306 9.872 2.866 1.00 74.12 N ATOM 70 CA PHE A 6 -9.682 8.893 3.879 1.00 13.31 C ATOM 71 C PHE A 6 -8.713 7.715 3.883 1.00 24.01 C ATOM 72 O PHE A 6 -8.534 7.049 4.903 1.00 21.45 O ATOM 73 CB PHE A 6 -11.108 8.393 3.631 1.00 22.32 C ATOM 74 CG PHE A 6 -12.021 8.578 4.809 1.00 10.22 C ATOM 75 CD1 PHE A 6 -12.461 9.841 5.170 1.00 11.40 C ATOM 76 CD2 PHE A 6 -12.438 7.488 5.556 1.00 54.34 C ATOM 77 CE1 PHE A 6 -13.302 10.014 6.253 1.00 62.21 C ATOM 78 CE2 PHE A 6 -13.280 7.655 6.640 1.00 65.31 C ATOM 79 CZ PHE A 6 -13.711 8.921 6.990 1.00 31.45 C ATOM 0 HA PHE A 6 -9.639 9.380 4.853 1.00 13.31 H new ATOM 0 HB2 PHE A 6 -11.525 8.919 2.772 1.00 22.32 H new ATOM 0 HB3 PHE A 6 -11.074 7.335 3.371 1.00 22.32 H new ATOM 0 HD1 PHE A 6 -12.143 10.700 4.598 1.00 11.40 H new ATOM 0 HD2 PHE A 6 -12.102 6.497 5.289 1.00 54.34 H new ATOM 0 HE1 PHE A 6 -13.639 11.004 6.523 1.00 62.21 H new ATOM 0 HE2 PHE A 6 -13.601 6.797 7.213 1.00 65.31 H new ATOM 0 HZ PHE A 6 -14.366 9.055 7.838 1.00 31.45 H new ATOM 88 N TRP A 7 -8.090 7.465 2.738 1.00 75.11 N ATOM 89 CA TRP A 7 -7.138 6.367 2.608 1.00 12.02 C ATOM 90 C TRP A 7 -5.712 6.853 2.842 1.00 0.43 C ATOM 91 O TRP A 7 -4.771 6.059 2.863 1.00 12.13 O ATOM 92 CB TRP A 7 -7.251 5.727 1.224 1.00 14.44 C ATOM 93 CG TRP A 7 -8.349 4.709 1.128 1.00 23.22 C ATOM 94 CD1 TRP A 7 -9.374 4.693 0.228 1.00 34.02 C ATOM 95 CD2 TRP A 7 -8.529 3.562 1.966 1.00 32.44 C ATOM 96 NE1 TRP A 7 -10.182 3.604 0.455 1.00 61.23 N ATOM 97 CE2 TRP A 7 -9.684 2.895 1.515 1.00 1.14 C ATOM 98 CE3 TRP A 7 -7.825 3.033 3.051 1.00 33.31 C ATOM 99 CZ2 TRP A 7 -10.150 1.727 2.114 1.00 71.41 C ATOM 100 CZ3 TRP A 7 -8.289 1.874 3.644 1.00 13.13 C ATOM 101 CH2 TRP A 7 -9.442 1.231 3.174 1.00 33.24 C ATOM 0 H TRP A 7 -8.226 8.008 1.885 1.00 75.11 H new ATOM 0 HA TRP A 7 -7.377 5.621 3.366 1.00 12.02 H new ATOM 0 HB2 TRP A 7 -7.423 6.508 0.483 1.00 14.44 H new ATOM 0 HB3 TRP A 7 -6.302 5.253 0.972 1.00 14.44 H new ATOM 0 HD1 TRP A 7 -9.528 5.428 -0.549 1.00 34.02 H new ATOM 0 HE1 TRP A 7 -11.017 3.363 -0.079 1.00 61.23 H new ATOM 0 HE3 TRP A 7 -6.935 3.521 3.419 1.00 33.31 H new ATOM 0 HZ2 TRP A 7 -11.039 1.230 1.754 1.00 71.41 H new ATOM 0 HZ3 TRP A 7 -7.754 1.457 4.484 1.00 13.13 H new ATOM 0 HH2 TRP A 7 -9.778 0.326 3.658 1.00 33.24 H new ATOM 111 N TYR A 8 -5.558 8.160 3.017 1.00 52.54 N ATOM 112 CA TYR A 8 -4.246 8.752 3.247 1.00 50.22 C ATOM 113 C TYR A 8 -4.147 9.327 4.656 1.00 24.21 C ATOM 114 O TYR A 8 -4.785 10.329 4.977 1.00 53.50 O ATOM 115 CB TYR A 8 -3.969 9.848 2.216 1.00 54.50 C ATOM 116 CG TYR A 8 -2.641 10.543 2.413 1.00 52.13 C ATOM 117 CD1 TYR A 8 -2.517 11.612 3.293 1.00 73.22 C ATOM 118 CD2 TYR A 8 -1.510 10.130 1.720 1.00 64.42 C ATOM 119 CE1 TYR A 8 -1.306 12.250 3.474 1.00 24.22 C ATOM 120 CE2 TYR A 8 -0.294 10.763 1.897 1.00 31.40 C ATOM 121 CZ TYR A 8 -0.197 11.821 2.775 1.00 62.13 C ATOM 122 OH TYR A 8 1.011 12.454 2.955 1.00 63.34 O ATOM 0 H TYR A 8 -6.326 8.831 3.004 1.00 52.54 H new ATOM 0 HA TYR A 8 -3.498 7.966 3.141 1.00 50.22 H new ATOM 0 HB2 TYR A 8 -3.996 9.411 1.218 1.00 54.50 H new ATOM 0 HB3 TYR A 8 -4.767 10.589 2.262 1.00 54.50 H new ATOM 0 HD1 TYR A 8 -3.382 11.949 3.844 1.00 73.22 H new ATOM 0 HD2 TYR A 8 -1.582 9.301 1.032 1.00 64.42 H new ATOM 0 HE1 TYR A 8 -1.227 13.081 4.160 1.00 24.22 H new ATOM 0 HE2 TYR A 8 0.576 10.430 1.350 1.00 31.40 H new ATOM 0 HH TYR A 8 1.623 12.201 2.233 1.00 63.34 H new ATOM 131 N LYS A 9 -3.339 8.686 5.494 1.00 12.43 N ATOM 132 CA LYS A 9 -3.152 9.133 6.870 1.00 14.11 C ATOM 133 C LYS A 9 -1.692 9.006 7.289 1.00 11.04 C ATOM 134 O LYS A 9 -1.159 7.907 7.447 1.00 13.25 O ATOM 135 CB LYS A 9 -4.039 8.319 7.816 1.00 42.13 C ATOM 136 CG LYS A 9 -5.507 8.705 7.756 1.00 75.20 C ATOM 137 CD LYS A 9 -6.351 7.830 8.667 1.00 1.33 C ATOM 138 CE LYS A 9 -7.836 8.014 8.398 1.00 55.12 C ATOM 139 NZ LYS A 9 -8.654 7.786 9.621 1.00 1.22 N ATOM 0 H LYS A 9 -2.803 7.855 5.244 1.00 12.43 H new ATOM 0 HA LYS A 9 -3.437 10.183 6.928 1.00 14.11 H new ATOM 0 HB2 LYS A 9 -3.940 7.261 7.573 1.00 42.13 H new ATOM 0 HB3 LYS A 9 -3.680 8.447 8.837 1.00 42.13 H new ATOM 0 HG2 LYS A 9 -5.622 9.750 8.045 1.00 75.20 H new ATOM 0 HG3 LYS A 9 -5.866 8.617 6.731 1.00 75.20 H new ATOM 0 HD2 LYS A 9 -6.081 6.784 8.521 1.00 1.33 H new ATOM 0 HD3 LYS A 9 -6.136 8.073 9.708 1.00 1.33 H new ATOM 0 HE2 LYS A 9 -8.015 9.022 8.024 1.00 55.12 H new ATOM 0 HE3 LYS A 9 -8.152 7.323 7.616 1.00 55.12 H new ATOM 0 HZ1 LYS A 9 -9.660 7.921 9.396 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -8.503 6.816 9.964 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -8.371 8.462 10.359 1.00 1.22 H new ATOM 149 N PRO A 10 -1.027 10.155 7.476 1.00 42.50 N ATOM 150 CA PRO A 10 0.381 10.198 7.883 1.00 1.10 C ATOM 151 C PRO A 10 0.584 9.733 9.321 1.00 75.02 C ATOM 152 O PRO A 10 1.587 9.094 9.641 1.00 1.01 O ATOM 153 CB PRO A 10 0.745 11.678 7.744 1.00 44.03 C ATOM 154 CG PRO A 10 -0.548 12.402 7.895 1.00 45.14 C ATOM 155 CD PRO A 10 -1.599 11.502 7.307 1.00 24.35 C ATOM 0 HA PRO A 10 1.000 9.534 7.280 1.00 1.10 H new ATOM 0 HB2 PRO A 10 1.461 11.983 8.507 1.00 44.03 H new ATOM 0 HB3 PRO A 10 1.203 11.884 6.777 1.00 44.03 H new ATOM 0 HG2 PRO A 10 -0.757 12.612 8.944 1.00 45.14 H new ATOM 0 HG3 PRO A 10 -0.521 13.361 7.377 1.00 45.14 H new ATOM 0 HD2 PRO A 10 -2.551 11.603 7.828 1.00 24.35 H new ATOM 0 HD3 PRO A 10 -1.784 11.732 6.258 1.00 24.35 H new ATOM 160 N HIS A 11 -0.375 10.055 10.183 1.00 22.00 N ATOM 161 CA HIS A 11 -0.301 9.669 11.588 1.00 20.42 C ATOM 162 C HIS A 11 -0.714 8.211 11.773 1.00 43.12 C ATOM 163 O HIS A 11 -0.684 7.682 12.885 1.00 71.14 O ATOM 164 CB HIS A 11 -1.194 10.575 12.436 1.00 62.24 C ATOM 165 CG HIS A 11 -0.503 11.813 12.918 1.00 22.11 C ATOM 166 ND1 HIS A 11 -0.506 12.211 14.239 1.00 13.14 N ATOM 167 CD2 HIS A 11 0.217 12.743 12.249 1.00 2.12 C ATOM 168 CE1 HIS A 11 0.180 13.333 14.361 1.00 74.12 C ATOM 169 NE2 HIS A 11 0.630 13.677 13.168 1.00 73.30 N ATOM 0 H HIS A 11 -1.212 10.582 9.934 1.00 22.00 H new ATOM 0 HA HIS A 11 0.733 9.781 11.916 1.00 20.42 H new ATOM 0 HB2 HIS A 11 -2.068 10.861 11.851 1.00 62.24 H new ATOM 0 HB3 HIS A 11 -1.556 10.012 13.296 1.00 62.24 H new ATOM 0 HD2 HIS A 11 0.428 12.750 11.190 1.00 2.12 H new ATOM 0 HE1 HIS A 11 0.345 13.876 15.280 1.00 74.12 H new ATOM 0 HE2 HIS A 11 1.193 14.502 12.962 1.00 73.30 H new ATOM 176 N LEU A 12 -1.099 7.567 10.676 1.00 50.31 N ATOM 177 CA LEU A 12 -1.519 6.171 10.717 1.00 12.32 C ATOM 178 C LEU A 12 -0.313 5.241 10.790 1.00 61.43 C ATOM 179 O LEU A 12 0.592 5.315 9.958 1.00 50.22 O ATOM 180 CB LEU A 12 -2.363 5.835 9.486 1.00 4.21 C ATOM 181 CG LEU A 12 -2.903 4.407 9.412 1.00 14.13 C ATOM 182 CD1 LEU A 12 -4.002 4.197 10.442 1.00 13.02 C ATOM 183 CD2 LEU A 12 -3.417 4.103 8.012 1.00 3.20 C ATOM 0 H LEU A 12 -1.129 7.989 9.748 1.00 50.31 H new ATOM 0 HA LEU A 12 -2.121 6.025 11.614 1.00 12.32 H new ATOM 0 HB2 LEU A 12 -3.207 6.524 9.450 1.00 4.21 H new ATOM 0 HB3 LEU A 12 -1.762 6.021 8.596 1.00 4.21 H new ATOM 0 HG LEU A 12 -2.088 3.719 9.636 1.00 14.13 H new ATOM 0 HD11 LEU A 12 -4.374 3.175 10.374 1.00 13.02 H new ATOM 0 HD12 LEU A 12 -3.603 4.372 11.441 1.00 13.02 H new ATOM 0 HD13 LEU A 12 -4.818 4.893 10.250 1.00 13.02 H new ATOM 0 HD21 LEU A 12 -3.798 3.082 7.978 1.00 3.20 H new ATOM 0 HD22 LEU A 12 -4.218 4.798 7.760 1.00 3.20 H new ATOM 0 HD23 LEU A 12 -2.604 4.211 7.294 1.00 3.20 H new ATOM 194 N SER A 13 -0.307 4.365 11.789 1.00 21.34 N ATOM 195 CA SER A 13 0.789 3.420 11.972 1.00 64.31 C ATOM 196 C SER A 13 0.627 2.214 11.053 1.00 53.02 C ATOM 197 O SER A 13 -0.471 1.932 10.570 1.00 61.40 O ATOM 198 CB SER A 13 0.857 2.961 13.429 1.00 22.45 C ATOM 199 OG SER A 13 -0.238 3.464 14.174 1.00 22.12 O ATOM 0 H SER A 13 -1.049 4.290 12.485 1.00 21.34 H new ATOM 0 HA SER A 13 1.719 3.927 11.715 1.00 64.31 H new ATOM 0 HB2 SER A 13 0.859 1.872 13.471 1.00 22.45 H new ATOM 0 HB3 SER A 13 1.791 3.299 13.877 1.00 22.45 H new ATOM 0 HG SER A 13 -0.172 3.155 15.102 1.00 22.12 H new ATOM 204 N ARG A 14 1.726 1.506 10.815 1.00 34.33 N ATOM 205 CA ARG A 14 1.706 0.330 9.953 1.00 65.01 C ATOM 206 C ARG A 14 0.684 -0.689 10.447 1.00 15.03 C ATOM 207 O ARG A 14 -0.130 -1.193 9.673 1.00 51.12 O ATOM 208 CB ARG A 14 3.094 -0.310 9.896 1.00 64.32 C ATOM 209 CG ARG A 14 3.166 -1.528 8.989 1.00 24.32 C ATOM 210 CD ARG A 14 3.927 -2.668 9.648 1.00 53.01 C ATOM 211 NE ARG A 14 5.366 -2.574 9.413 1.00 43.33 N ATOM 212 CZ ARG A 14 6.235 -3.503 9.793 1.00 43.11 C ATOM 213 NH1 ARG A 14 5.813 -4.592 10.422 1.00 70.43 N ATOM 214 NH2 ARG A 14 7.528 -3.345 9.544 1.00 63.52 N ATOM 0 H ARG A 14 2.642 1.726 11.207 1.00 34.33 H new ATOM 0 HA ARG A 14 1.419 0.650 8.951 1.00 65.01 H new ATOM 0 HB2 ARG A 14 3.813 0.433 9.551 1.00 64.32 H new ATOM 0 HB3 ARG A 14 3.393 -0.599 10.903 1.00 64.32 H new ATOM 0 HG2 ARG A 14 2.157 -1.858 8.740 1.00 24.32 H new ATOM 0 HG3 ARG A 14 3.653 -1.257 8.052 1.00 24.32 H new ATOM 0 HD2 ARG A 14 3.734 -2.660 10.721 1.00 53.01 H new ATOM 0 HD3 ARG A 14 3.558 -3.619 9.264 1.00 53.01 H new ATOM 0 HE ARG A 14 5.723 -1.749 8.930 1.00 43.33 H new ATOM 0 HH11 ARG A 14 4.819 -4.717 10.615 1.00 70.43 H new ATOM 0 HH12 ARG A 14 6.482 -5.304 10.713 1.00 70.43 H new ATOM 0 HH21 ARG A 14 7.856 -2.509 9.060 1.00 63.52 H new ATOM 0 HH22 ARG A 14 8.195 -4.059 9.836 1.00 63.52 H new ATOM 225 N ASP A 15 0.733 -0.989 11.740 1.00 51.24 N ATOM 226 CA ASP A 15 -0.189 -1.948 12.339 1.00 55.15 C ATOM 227 C ASP A 15 -1.637 -1.537 12.089 1.00 33.41 C ATOM 228 O ASP A 15 -2.482 -2.373 11.766 1.00 5.34 O ATOM 229 CB ASP A 15 0.069 -2.066 13.841 1.00 35.20 C ATOM 230 CG ASP A 15 -1.034 -2.817 14.560 1.00 11.32 C ATOM 231 OD1 ASP A 15 -1.082 -4.059 14.439 1.00 12.33 O ATOM 232 OD2 ASP A 15 -1.851 -2.164 15.244 1.00 61.53 O ATOM 0 H ASP A 15 1.401 -0.582 12.394 1.00 51.24 H new ATOM 0 HA ASP A 15 -0.020 -2.919 11.873 1.00 55.15 H new ATOM 0 HB2 ASP A 15 1.018 -2.576 14.005 1.00 35.20 H new ATOM 0 HB3 ASP A 15 0.165 -1.068 14.270 1.00 35.20 H new ATOM 236 N GLN A 16 -1.916 -0.247 12.240 1.00 11.41 N ATOM 237 CA GLN A 16 -3.263 0.272 12.033 1.00 45.43 C ATOM 238 C GLN A 16 -3.708 0.070 10.588 1.00 4.44 C ATOM 239 O GLN A 16 -4.856 -0.288 10.326 1.00 3.35 O ATOM 240 CB GLN A 16 -3.319 1.758 12.394 1.00 54.43 C ATOM 241 CG GLN A 16 -2.948 2.048 13.838 1.00 4.25 C ATOM 242 CD GLN A 16 -4.131 1.932 14.781 1.00 61.50 C ATOM 243 OE1 GLN A 16 -4.616 0.834 15.052 1.00 0.25 O ATOM 244 NE2 GLN A 16 -4.600 3.068 15.284 1.00 34.11 N ATOM 0 H GLN A 16 -1.228 0.458 12.505 1.00 11.41 H new ATOM 0 HA GLN A 16 -3.943 -0.279 12.683 1.00 45.43 H new ATOM 0 HB2 GLN A 16 -2.645 2.308 11.737 1.00 54.43 H new ATOM 0 HB3 GLN A 16 -4.325 2.132 12.204 1.00 54.43 H new ATOM 0 HG2 GLN A 16 -2.167 1.356 14.154 1.00 4.25 H new ATOM 0 HG3 GLN A 16 -2.531 3.053 13.907 1.00 4.25 H new ATOM 0 HE21 GLN A 16 -4.166 3.956 15.031 1.00 34.11 H new ATOM 0 HE22 GLN A 16 -5.394 3.053 15.924 1.00 34.11 H new ATOM 251 N ALA A 17 -2.792 0.303 9.655 1.00 54.15 N ATOM 252 CA ALA A 17 -3.090 0.145 8.237 1.00 72.51 C ATOM 253 C ALA A 17 -3.416 -1.307 7.902 1.00 2.42 C ATOM 254 O ALA A 17 -4.332 -1.584 7.128 1.00 14.14 O ATOM 255 CB ALA A 17 -1.920 0.631 7.394 1.00 63.23 C ATOM 0 H ALA A 17 -1.837 0.602 9.855 1.00 54.15 H new ATOM 0 HA ALA A 17 -3.967 0.750 8.007 1.00 72.51 H new ATOM 0 HB1 ALA A 17 -2.157 0.507 6.337 1.00 63.23 H new ATOM 0 HB2 ALA A 17 -1.734 1.684 7.603 1.00 63.23 H new ATOM 0 HB3 ALA A 17 -1.030 0.050 7.637 1.00 63.23 H new ATOM 261 N ILE A 18 -2.662 -2.229 8.491 1.00 63.44 N ATOM 262 CA ILE A 18 -2.872 -3.652 8.256 1.00 42.40 C ATOM 263 C ILE A 18 -4.226 -4.104 8.794 1.00 64.21 C ATOM 264 O ILE A 18 -4.935 -4.876 8.150 1.00 65.22 O ATOM 265 CB ILE A 18 -1.764 -4.499 8.907 1.00 13.23 C ATOM 266 CG1 ILE A 18 -0.394 -4.095 8.360 1.00 70.43 C ATOM 267 CG2 ILE A 18 -2.020 -5.981 8.668 1.00 60.15 C ATOM 268 CD1 ILE A 18 0.761 -4.549 9.225 1.00 40.34 C ATOM 0 H ILE A 18 -1.900 -2.016 9.135 1.00 63.44 H new ATOM 0 HA ILE A 18 -2.845 -3.801 7.177 1.00 42.40 H new ATOM 0 HB ILE A 18 -1.773 -4.317 9.982 1.00 13.23 H new ATOM 0 HG12 ILE A 18 -0.274 -4.512 7.360 1.00 70.43 H new ATOM 0 HG13 ILE A 18 -0.358 -3.010 8.260 1.00 70.43 H new ATOM 0 HG21 ILE A 18 -1.228 -6.567 9.134 1.00 60.15 H new ATOM 0 HG22 ILE A 18 -2.980 -6.259 9.102 1.00 60.15 H new ATOM 0 HG23 ILE A 18 -2.035 -6.179 7.596 1.00 60.15 H new ATOM 0 HD11 ILE A 18 1.701 -4.227 8.776 1.00 40.34 H new ATOM 0 HD12 ILE A 18 0.665 -4.111 10.219 1.00 40.34 H new ATOM 0 HD13 ILE A 18 0.750 -5.636 9.305 1.00 40.34 H new ATOM 279 N ALA A 19 -4.578 -3.616 9.980 1.00 61.43 N ATOM 280 CA ALA A 19 -5.847 -3.966 10.603 1.00 12.23 C ATOM 281 C ALA A 19 -7.022 -3.397 9.815 1.00 65.23 C ATOM 282 O ALA A 19 -8.077 -4.024 9.713 1.00 70.40 O ATOM 283 CB ALA A 19 -5.884 -3.469 12.041 1.00 72.20 C ATOM 0 H ALA A 19 -4.001 -2.977 10.527 1.00 61.43 H new ATOM 0 HA ALA A 19 -5.935 -5.052 10.603 1.00 12.23 H new ATOM 0 HB1 ALA A 19 -6.838 -3.738 12.494 1.00 72.20 H new ATOM 0 HB2 ALA A 19 -5.072 -3.928 12.605 1.00 72.20 H new ATOM 0 HB3 ALA A 19 -5.768 -2.385 12.054 1.00 72.20 H new ATOM 289 N LEU A 20 -6.833 -2.205 9.259 1.00 31.43 N ATOM 290 CA LEU A 20 -7.878 -1.550 8.479 1.00 2.35 C ATOM 291 C LEU A 20 -8.060 -2.236 7.129 1.00 63.53 C ATOM 292 O LEU A 20 -9.162 -2.265 6.579 1.00 71.41 O ATOM 293 CB LEU A 20 -7.537 -0.074 8.274 1.00 54.34 C ATOM 294 CG LEU A 20 -8.706 0.838 7.896 1.00 73.15 C ATOM 295 CD1 LEU A 20 -9.487 1.246 9.136 1.00 13.02 C ATOM 296 CD2 LEU A 20 -8.205 2.067 7.152 1.00 72.44 C ATOM 0 H LEU A 20 -5.966 -1.672 9.334 1.00 31.43 H new ATOM 0 HA LEU A 20 -8.814 -1.626 9.032 1.00 2.35 H new ATOM 0 HB2 LEU A 20 -7.088 0.306 9.192 1.00 54.34 H new ATOM 0 HB3 LEU A 20 -6.779 -0.002 7.494 1.00 54.34 H new ATOM 0 HG LEU A 20 -9.374 0.285 7.236 1.00 73.15 H new ATOM 0 HD11 LEU A 20 -10.314 1.894 8.848 1.00 13.02 H new ATOM 0 HD12 LEU A 20 -9.878 0.356 9.629 1.00 13.02 H new ATOM 0 HD13 LEU A 20 -8.829 1.780 9.821 1.00 13.02 H new ATOM 0 HD21 LEU A 20 -9.050 2.704 6.891 1.00 72.44 H new ATOM 0 HD22 LEU A 20 -7.515 2.622 7.788 1.00 72.44 H new ATOM 0 HD23 LEU A 20 -7.690 1.757 6.243 1.00 72.44 H new ATOM 307 N LEU A 21 -6.973 -2.787 6.600 1.00 11.41 N ATOM 308 CA LEU A 21 -7.012 -3.475 5.314 1.00 51.42 C ATOM 309 C LEU A 21 -7.653 -4.852 5.453 1.00 34.52 C ATOM 310 O LEU A 21 -8.436 -5.274 4.602 1.00 52.34 O ATOM 311 CB LEU A 21 -5.600 -3.611 4.743 1.00 60.30 C ATOM 312 CG LEU A 21 -5.116 -2.457 3.865 1.00 3.50 C ATOM 313 CD1 LEU A 21 -3.684 -2.693 3.413 1.00 5.22 C ATOM 314 CD2 LEU A 21 -6.034 -2.278 2.665 1.00 21.02 C ATOM 0 H LEU A 21 -6.054 -2.771 7.042 1.00 11.41 H new ATOM 0 HA LEU A 21 -7.617 -2.881 4.630 1.00 51.42 H new ATOM 0 HB2 LEU A 21 -4.904 -3.726 5.574 1.00 60.30 H new ATOM 0 HB3 LEU A 21 -5.553 -4.530 4.159 1.00 60.30 H new ATOM 0 HG LEU A 21 -5.141 -1.542 4.456 1.00 3.50 H new ATOM 0 HD11 LEU A 21 -3.358 -1.861 2.789 1.00 5.22 H new ATOM 0 HD12 LEU A 21 -3.035 -2.769 4.285 1.00 5.22 H new ATOM 0 HD13 LEU A 21 -3.631 -3.619 2.840 1.00 5.22 H new ATOM 0 HD21 LEU A 21 -5.674 -1.452 2.051 1.00 21.02 H new ATOM 0 HD22 LEU A 21 -6.042 -3.193 2.073 1.00 21.02 H new ATOM 0 HD23 LEU A 21 -7.045 -2.060 3.010 1.00 21.02 H new ATOM 325 N LYS A 22 -7.315 -5.550 6.532 1.00 51.15 N ATOM 326 CA LYS A 22 -7.859 -6.879 6.785 1.00 22.34 C ATOM 327 C LYS A 22 -9.323 -6.797 7.208 1.00 64.34 C ATOM 328 O LYS A 22 -10.005 -7.816 7.314 1.00 53.45 O ATOM 329 CB LYS A 22 -7.044 -7.588 7.870 1.00 65.04 C ATOM 330 CG LYS A 22 -7.325 -7.079 9.273 1.00 52.33 C ATOM 331 CD LYS A 22 -6.523 -7.840 10.314 1.00 35.53 C ATOM 332 CE LYS A 22 -7.141 -7.714 11.697 1.00 1.52 C ATOM 333 NZ LYS A 22 -8.129 -8.796 11.965 1.00 64.11 N ATOM 0 H LYS A 22 -6.667 -5.217 7.246 1.00 51.15 H new ATOM 0 HA LYS A 22 -7.798 -7.451 5.859 1.00 22.34 H new ATOM 0 HB2 LYS A 22 -7.255 -8.657 7.831 1.00 65.04 H new ATOM 0 HB3 LYS A 22 -5.983 -7.465 7.654 1.00 65.04 H new ATOM 0 HG2 LYS A 22 -7.083 -6.018 9.331 1.00 52.33 H new ATOM 0 HG3 LYS A 22 -8.389 -7.176 9.490 1.00 52.33 H new ATOM 0 HD2 LYS A 22 -6.467 -8.892 10.034 1.00 35.53 H new ATOM 0 HD3 LYS A 22 -5.501 -7.461 10.335 1.00 35.53 H new ATOM 0 HE2 LYS A 22 -6.354 -7.746 12.451 1.00 1.52 H new ATOM 0 HE3 LYS A 22 -7.631 -6.744 11.789 1.00 1.52 H new ATOM 0 HZ1 LYS A 22 -8.527 -8.674 12.918 1.00 64.11 H new ATOM 0 HZ2 LYS A 22 -8.894 -8.750 11.262 1.00 64.11 H new ATOM 0 HZ3 LYS A 22 -7.657 -9.721 11.903 1.00 64.11 H new ATOM 343 N ASP A 23 -9.797 -5.579 7.445 1.00 64.11 N ATOM 344 CA ASP A 23 -11.181 -5.364 7.852 1.00 3.01 C ATOM 345 C ASP A 23 -11.979 -4.698 6.736 1.00 41.10 C ATOM 346 O ASP A 23 -13.159 -4.392 6.900 1.00 54.42 O ATOM 347 CB ASP A 23 -11.234 -4.506 9.117 1.00 41.24 C ATOM 348 CG ASP A 23 -12.605 -4.516 9.767 1.00 63.53 C ATOM 349 OD1 ASP A 23 -12.981 -5.560 10.341 1.00 72.01 O ATOM 350 OD2 ASP A 23 -13.299 -3.482 9.701 1.00 51.35 O ATOM 0 H ASP A 23 -9.244 -4.726 7.362 1.00 64.11 H new ATOM 0 HA ASP A 23 -11.628 -6.336 8.062 1.00 3.01 H new ATOM 0 HB2 ASP A 23 -10.494 -4.870 9.830 1.00 41.24 H new ATOM 0 HB3 ASP A 23 -10.960 -3.481 8.869 1.00 41.24 H new ATOM 354 N LYS A 24 -11.326 -4.475 5.601 1.00 21.23 N ATOM 355 CA LYS A 24 -11.972 -3.846 4.456 1.00 53.45 C ATOM 356 C LYS A 24 -11.994 -4.788 3.256 1.00 44.31 C ATOM 357 O LYS A 24 -11.397 -5.864 3.290 1.00 0.42 O ATOM 358 CB LYS A 24 -11.250 -2.547 4.086 1.00 14.45 C ATOM 359 CG LYS A 24 -12.032 -1.294 4.442 1.00 44.00 C ATOM 360 CD LYS A 24 -11.352 -0.510 5.551 1.00 42.32 C ATOM 361 CE LYS A 24 -11.758 -1.020 6.925 1.00 30.41 C ATOM 362 NZ LYS A 24 -12.759 -0.130 7.574 1.00 43.32 N ATOM 0 H LYS A 24 -10.348 -4.721 5.450 1.00 21.23 H new ATOM 0 HA LYS A 24 -13.001 -3.616 4.733 1.00 53.45 H new ATOM 0 HB2 LYS A 24 -10.286 -2.520 4.593 1.00 14.45 H new ATOM 0 HB3 LYS A 24 -11.047 -2.546 3.015 1.00 14.45 H new ATOM 0 HG2 LYS A 24 -12.133 -0.664 3.559 1.00 44.00 H new ATOM 0 HG3 LYS A 24 -13.039 -1.569 4.754 1.00 44.00 H new ATOM 0 HD2 LYS A 24 -10.270 -0.584 5.440 1.00 42.32 H new ATOM 0 HD3 LYS A 24 -11.610 0.545 5.463 1.00 42.32 H new ATOM 0 HE2 LYS A 24 -12.172 -2.024 6.832 1.00 30.41 H new ATOM 0 HE3 LYS A 24 -10.875 -1.096 7.559 1.00 30.41 H new ATOM 0 HZ1 LYS A 24 -13.010 -0.512 8.508 1.00 43.32 H new ATOM 0 HZ2 LYS A 24 -12.356 0.822 7.686 1.00 43.32 H new ATOM 0 HZ3 LYS A 24 -13.612 -0.077 6.982 1.00 43.32 H new ATOM 372 N ASP A 25 -12.682 -4.375 2.198 1.00 0.01 N ATOM 373 CA ASP A 25 -12.779 -5.181 0.987 1.00 32.35 C ATOM 374 C ASP A 25 -11.406 -5.365 0.347 1.00 33.43 C ATOM 375 O ASP A 25 -10.491 -4.563 0.538 1.00 54.43 O ATOM 376 CB ASP A 25 -13.738 -4.529 -0.011 1.00 62.11 C ATOM 377 CG ASP A 25 -15.191 -4.712 0.380 1.00 63.25 C ATOM 378 OD1 ASP A 25 -15.658 -5.869 0.401 1.00 12.51 O ATOM 379 OD2 ASP A 25 -15.862 -3.697 0.663 1.00 43.01 O ATOM 0 H ASP A 25 -13.181 -3.486 2.154 1.00 0.01 H new ATOM 0 HA ASP A 25 -13.167 -6.162 1.262 1.00 32.35 H new ATOM 0 HB2 ASP A 25 -13.515 -3.464 -0.083 1.00 62.11 H new ATOM 0 HB3 ASP A 25 -13.574 -4.956 -1.000 1.00 62.11 H new ATOM 383 N PRO A 26 -11.256 -6.447 -0.432 1.00 12.14 N ATOM 384 CA PRO A 26 -9.999 -6.763 -1.116 1.00 63.24 C ATOM 385 C PRO A 26 -9.693 -5.786 -2.247 1.00 54.54 C ATOM 386 O PRO A 26 -10.602 -5.240 -2.871 1.00 41.33 O ATOM 387 CB PRO A 26 -10.241 -8.167 -1.674 1.00 51.24 C ATOM 388 CG PRO A 26 -11.720 -8.267 -1.821 1.00 64.52 C ATOM 389 CD PRO A 26 -12.303 -7.446 -0.705 1.00 41.42 C ATOM 0 HA PRO A 26 -9.143 -6.698 -0.445 1.00 63.24 H new ATOM 0 HB2 PRO A 26 -9.738 -8.305 -2.631 1.00 51.24 H new ATOM 0 HB3 PRO A 26 -9.858 -8.933 -0.999 1.00 51.24 H new ATOM 0 HG2 PRO A 26 -12.042 -7.891 -2.792 1.00 64.52 H new ATOM 0 HG3 PRO A 26 -12.049 -9.304 -1.756 1.00 64.52 H new ATOM 0 HD2 PRO A 26 -13.240 -6.975 -1.000 1.00 41.42 H new ATOM 0 HD3 PRO A 26 -12.515 -8.055 0.173 1.00 41.42 H new ATOM 394 N GLY A 27 -8.407 -5.571 -2.506 1.00 14.21 N ATOM 395 CA GLY A 27 -8.005 -4.660 -3.562 1.00 14.13 C ATOM 396 C GLY A 27 -7.796 -3.245 -3.059 1.00 15.24 C ATOM 397 O GLY A 27 -7.169 -2.427 -3.730 1.00 21.11 O ATOM 0 H GLY A 27 -7.636 -6.011 -2.004 1.00 14.21 H new ATOM 0 HA2 GLY A 27 -7.082 -5.021 -4.017 1.00 14.13 H new ATOM 0 HA3 GLY A 27 -8.765 -4.656 -4.343 1.00 14.13 H new ATOM 401 N ALA A 28 -8.327 -2.956 -1.875 1.00 32.12 N ATOM 402 CA ALA A 28 -8.196 -1.631 -1.283 1.00 42.24 C ATOM 403 C ALA A 28 -6.762 -1.367 -0.839 1.00 20.42 C ATOM 404 O ALA A 28 -6.037 -2.290 -0.465 1.00 72.43 O ATOM 405 CB ALA A 28 -9.151 -1.481 -0.108 1.00 65.21 C ATOM 0 H ALA A 28 -8.852 -3.622 -1.308 1.00 32.12 H new ATOM 0 HA ALA A 28 -8.454 -0.894 -2.043 1.00 42.24 H new ATOM 0 HB1 ALA A 28 -9.042 -0.486 0.325 1.00 65.21 H new ATOM 0 HB2 ALA A 28 -10.176 -1.617 -0.453 1.00 65.21 H new ATOM 0 HB3 ALA A 28 -8.920 -2.232 0.647 1.00 65.21 H new ATOM 411 N PHE A 29 -6.356 -0.102 -0.882 1.00 13.10 N ATOM 412 CA PHE A 29 -5.007 0.282 -0.484 1.00 62.21 C ATOM 413 C PHE A 29 -5.021 1.596 0.291 1.00 31.42 C ATOM 414 O PHE A 29 -6.014 2.325 0.280 1.00 43.11 O ATOM 415 CB PHE A 29 -4.107 0.413 -1.716 1.00 52.34 C ATOM 416 CG PHE A 29 -4.397 1.634 -2.542 1.00 1.10 C ATOM 417 CD1 PHE A 29 -5.625 1.788 -3.167 1.00 63.22 C ATOM 418 CD2 PHE A 29 -3.443 2.627 -2.692 1.00 54.53 C ATOM 419 CE1 PHE A 29 -5.892 2.910 -3.928 1.00 74.00 C ATOM 420 CE2 PHE A 29 -3.706 3.752 -3.451 1.00 72.01 C ATOM 421 CZ PHE A 29 -4.933 3.894 -4.070 1.00 11.41 C ATOM 0 H PHE A 29 -6.942 0.674 -1.189 1.00 13.10 H new ATOM 0 HA PHE A 29 -4.611 -0.498 0.166 1.00 62.21 H new ATOM 0 HB2 PHE A 29 -3.066 0.440 -1.394 1.00 52.34 H new ATOM 0 HB3 PHE A 29 -4.225 -0.474 -2.339 1.00 52.34 H new ATOM 0 HD1 PHE A 29 -6.380 1.024 -3.058 1.00 63.22 H new ATOM 0 HD2 PHE A 29 -2.482 2.521 -2.210 1.00 54.53 H new ATOM 0 HE1 PHE A 29 -6.851 3.018 -4.412 1.00 74.00 H new ATOM 0 HE2 PHE A 29 -2.953 4.519 -3.560 1.00 72.01 H new ATOM 0 HZ PHE A 29 -5.142 4.772 -4.663 1.00 11.41 H new ATOM 430 N LEU A 30 -3.914 1.891 0.965 1.00 54.10 N ATOM 431 CA LEU A 30 -3.799 3.117 1.747 1.00 12.24 C ATOM 432 C LEU A 30 -2.343 3.559 1.853 1.00 63.21 C ATOM 433 O LEU A 30 -1.427 2.779 1.596 1.00 21.53 O ATOM 434 CB LEU A 30 -4.384 2.909 3.145 1.00 63.12 C ATOM 435 CG LEU A 30 -3.500 2.153 4.137 1.00 24.40 C ATOM 436 CD1 LEU A 30 -2.612 3.120 4.906 1.00 72.32 C ATOM 437 CD2 LEU A 30 -4.353 1.335 5.095 1.00 32.45 C ATOM 0 H LEU A 30 -3.084 1.298 0.985 1.00 54.10 H new ATOM 0 HA LEU A 30 -4.361 3.899 1.237 1.00 12.24 H new ATOM 0 HB2 LEU A 30 -4.617 3.886 3.568 1.00 63.12 H new ATOM 0 HB3 LEU A 30 -5.327 2.371 3.046 1.00 63.12 H new ATOM 0 HG LEU A 30 -2.860 1.471 3.577 1.00 24.40 H new ATOM 0 HD11 LEU A 30 -1.990 2.564 5.607 1.00 72.32 H new ATOM 0 HD12 LEU A 30 -1.975 3.663 4.208 1.00 72.32 H new ATOM 0 HD13 LEU A 30 -3.234 3.827 5.455 1.00 72.32 H new ATOM 0 HD21 LEU A 30 -3.707 0.803 5.794 1.00 32.45 H new ATOM 0 HD22 LEU A 30 -5.018 1.999 5.648 1.00 32.45 H new ATOM 0 HD23 LEU A 30 -4.946 0.616 4.530 1.00 32.45 H new ATOM 448 N ILE A 31 -2.139 4.816 2.234 1.00 23.34 N ATOM 449 CA ILE A 31 -0.794 5.361 2.378 1.00 34.41 C ATOM 450 C ILE A 31 -0.603 6.002 3.748 1.00 15.04 C ATOM 451 O ILE A 31 -1.504 6.662 4.267 1.00 33.21 O ATOM 452 CB ILE A 31 -0.492 6.406 1.288 1.00 52.24 C ATOM 453 CG1 ILE A 31 -0.648 5.787 -0.102 1.00 64.25 C ATOM 454 CG2 ILE A 31 0.910 6.970 1.468 1.00 1.13 C ATOM 455 CD1 ILE A 31 -1.623 6.530 -0.989 1.00 2.21 C ATOM 0 H ILE A 31 -2.887 5.476 2.448 1.00 23.34 H new ATOM 0 HA ILE A 31 -0.102 4.526 2.272 1.00 34.41 H new ATOM 0 HB ILE A 31 -1.207 7.223 1.383 1.00 52.24 H new ATOM 0 HG12 ILE A 31 0.326 5.760 -0.590 1.00 64.25 H new ATOM 0 HG13 ILE A 31 -0.980 4.754 0.004 1.00 64.25 H new ATOM 0 HG21 ILE A 31 1.108 7.707 0.690 1.00 1.13 H new ATOM 0 HG22 ILE A 31 0.988 7.445 2.446 1.00 1.13 H new ATOM 0 HG23 ILE A 31 1.639 6.163 1.397 1.00 1.13 H new ATOM 0 HD11 ILE A 31 -1.683 6.035 -1.958 1.00 2.21 H new ATOM 0 HD12 ILE A 31 -2.608 6.535 -0.523 1.00 2.21 H new ATOM 0 HD13 ILE A 31 -1.281 7.556 -1.126 1.00 2.21 H new ATOM 466 N ARG A 32 0.575 5.802 4.329 1.00 72.12 N ATOM 467 CA ARG A 32 0.884 6.361 5.639 1.00 4.33 C ATOM 468 C ARG A 32 2.318 6.880 5.684 1.00 4.43 C ATOM 469 O ARG A 32 3.133 6.559 4.820 1.00 61.43 O ATOM 470 CB ARG A 32 0.678 5.307 6.729 1.00 31.42 C ATOM 471 CG ARG A 32 1.764 4.243 6.760 1.00 64.11 C ATOM 472 CD ARG A 32 1.242 2.931 7.323 1.00 5.43 C ATOM 473 NE ARG A 32 1.912 1.776 6.732 1.00 60.10 N ATOM 474 CZ ARG A 32 1.584 1.261 5.553 1.00 75.04 C ATOM 475 NH1 ARG A 32 0.599 1.795 4.843 1.00 10.42 N ATOM 476 NH2 ARG A 32 2.239 0.209 5.080 1.00 23.42 N ATOM 0 H ARG A 32 1.331 5.257 3.913 1.00 72.12 H new ATOM 0 HA ARG A 32 0.207 7.196 5.818 1.00 4.33 H new ATOM 0 HB2 ARG A 32 0.639 5.803 7.699 1.00 31.42 H new ATOM 0 HB3 ARG A 32 -0.288 4.824 6.578 1.00 31.42 H new ATOM 0 HG2 ARG A 32 2.146 4.081 5.752 1.00 64.11 H new ATOM 0 HG3 ARG A 32 2.600 4.593 7.365 1.00 64.11 H new ATOM 0 HD2 ARG A 32 1.384 2.918 8.404 1.00 5.43 H new ATOM 0 HD3 ARG A 32 0.170 2.860 7.141 1.00 5.43 H new ATOM 0 HE ARG A 32 2.673 1.341 7.253 1.00 60.10 H new ATOM 0 HH11 ARG A 32 0.091 2.603 5.202 1.00 10.42 H new ATOM 0 HH12 ARG A 32 0.349 1.397 3.938 1.00 10.42 H new ATOM 0 HH21 ARG A 32 2.997 -0.206 5.622 1.00 23.42 H new ATOM 0 HH22 ARG A 32 1.985 -0.185 4.174 1.00 23.42 H new ATOM 487 N ASP A 33 2.619 7.685 6.698 1.00 73.44 N ATOM 488 CA ASP A 33 3.954 8.249 6.856 1.00 3.33 C ATOM 489 C ASP A 33 4.977 7.153 7.139 1.00 11.44 C ATOM 490 O ASP A 33 4.874 6.436 8.135 1.00 70.32 O ATOM 491 CB ASP A 33 3.965 9.279 7.986 1.00 5.44 C ATOM 492 CG ASP A 33 5.152 10.219 7.902 1.00 14.23 C ATOM 493 OD1 ASP A 33 6.104 9.908 7.156 1.00 74.41 O ATOM 494 OD2 ASP A 33 5.128 11.266 8.582 1.00 71.41 O ATOM 0 H ASP A 33 1.956 7.961 7.422 1.00 73.44 H new ATOM 0 HA ASP A 33 4.226 8.742 5.923 1.00 3.33 H new ATOM 0 HB2 ASP A 33 3.043 9.859 7.954 1.00 5.44 H new ATOM 0 HB3 ASP A 33 3.982 8.761 8.945 1.00 5.44 H new ATOM 498 N SER A 34 5.963 7.028 6.257 1.00 42.22 N ATOM 499 CA SER A 34 7.001 6.016 6.409 1.00 61.12 C ATOM 500 C SER A 34 8.141 6.535 7.281 1.00 2.33 C ATOM 501 O SER A 34 9.079 7.163 6.789 1.00 14.25 O ATOM 502 CB SER A 34 7.541 5.599 5.040 1.00 32.31 C ATOM 503 OG SER A 34 8.183 4.337 5.107 1.00 51.34 O ATOM 0 H SER A 34 6.065 7.615 5.429 1.00 42.22 H new ATOM 0 HA SER A 34 6.559 5.147 6.897 1.00 61.12 H new ATOM 0 HB2 SER A 34 6.723 5.557 4.321 1.00 32.31 H new ATOM 0 HB3 SER A 34 8.244 6.349 4.679 1.00 32.31 H new ATOM 0 HG SER A 34 8.518 4.093 4.219 1.00 51.34 H new ATOM 508 N HIS A 35 8.053 6.267 8.581 1.00 71.22 N ATOM 509 CA HIS A 35 9.076 6.705 9.523 1.00 61.55 C ATOM 510 C HIS A 35 10.374 5.931 9.314 1.00 51.14 C ATOM 511 O HIS A 35 11.419 6.295 9.852 1.00 44.13 O ATOM 512 CB HIS A 35 8.587 6.524 10.960 1.00 30.03 C ATOM 513 CG HIS A 35 8.308 5.099 11.323 1.00 15.13 C ATOM 514 ND1 HIS A 35 9.298 4.201 11.666 1.00 72.32 N ATOM 515 CD2 HIS A 35 7.141 4.416 11.397 1.00 21.33 C ATOM 516 CE1 HIS A 35 8.753 3.028 11.934 1.00 72.21 C ATOM 517 NE2 HIS A 35 7.445 3.132 11.778 1.00 14.12 N ATOM 0 H HIS A 35 7.284 5.749 9.005 1.00 71.22 H new ATOM 0 HA HIS A 35 9.271 7.762 9.344 1.00 61.55 H new ATOM 0 HB2 HIS A 35 9.336 6.924 11.643 1.00 30.03 H new ATOM 0 HB3 HIS A 35 7.680 7.111 11.103 1.00 30.03 H new ATOM 0 HD2 HIS A 35 6.155 4.808 11.194 1.00 21.33 H new ATOM 0 HE1 HIS A 35 9.285 2.136 12.230 1.00 72.21 H new ATOM 0 HE2 HIS A 35 6.770 2.380 11.918 1.00 14.12 H new ATOM 524 N SER A 36 10.299 4.861 8.529 1.00 63.40 N ATOM 525 CA SER A 36 11.468 4.033 8.253 1.00 32.41 C ATOM 526 C SER A 36 12.622 4.880 7.725 1.00 51.31 C ATOM 527 O SER A 36 13.687 4.949 8.339 1.00 43.21 O ATOM 528 CB SER A 36 11.118 2.941 7.239 1.00 40.21 C ATOM 529 OG SER A 36 12.285 2.292 6.766 1.00 14.14 O ATOM 0 H SER A 36 9.442 4.547 8.073 1.00 63.40 H new ATOM 0 HA SER A 36 11.780 3.566 9.187 1.00 32.41 H new ATOM 0 HB2 SER A 36 10.454 2.211 7.701 1.00 40.21 H new ATOM 0 HB3 SER A 36 10.576 3.379 6.401 1.00 40.21 H new ATOM 0 HG SER A 36 12.035 1.598 6.121 1.00 14.14 H new ATOM 534 N PHE A 37 12.402 5.523 6.584 1.00 43.03 N ATOM 535 CA PHE A 37 13.423 6.366 5.972 1.00 14.20 C ATOM 536 C PHE A 37 12.821 7.677 5.475 1.00 53.52 C ATOM 537 O PHE A 37 11.620 7.761 5.215 1.00 2.11 O ATOM 538 CB PHE A 37 14.095 5.629 4.812 1.00 72.20 C ATOM 539 CG PHE A 37 15.488 5.164 5.124 1.00 33.44 C ATOM 540 CD1 PHE A 37 16.464 6.065 5.514 1.00 43.44 C ATOM 541 CD2 PHE A 37 15.822 3.822 5.027 1.00 22.34 C ATOM 542 CE1 PHE A 37 17.747 5.640 5.802 1.00 3.50 C ATOM 543 CE2 PHE A 37 17.103 3.390 5.315 1.00 11.20 C ATOM 544 CZ PHE A 37 18.067 4.301 5.702 1.00 41.10 C ATOM 0 H PHE A 37 11.526 5.477 6.064 1.00 43.03 H new ATOM 0 HA PHE A 37 14.171 6.595 6.731 1.00 14.20 H new ATOM 0 HB2 PHE A 37 13.486 4.768 4.538 1.00 72.20 H new ATOM 0 HB3 PHE A 37 14.126 6.287 3.943 1.00 72.20 H new ATOM 0 HD1 PHE A 37 16.219 7.114 5.594 1.00 43.44 H new ATOM 0 HD2 PHE A 37 15.073 3.106 4.723 1.00 22.34 H new ATOM 0 HE1 PHE A 37 18.498 6.354 6.105 1.00 3.50 H new ATOM 0 HE2 PHE A 37 17.350 2.342 5.238 1.00 11.20 H new ATOM 0 HZ PHE A 37 19.069 3.966 5.926 1.00 41.10 H new ATOM 553 N GLN A 38 13.663 8.698 5.348 1.00 15.32 N ATOM 554 CA GLN A 38 13.213 10.006 4.884 1.00 20.15 C ATOM 555 C GLN A 38 12.811 9.953 3.414 1.00 34.32 C ATOM 556 O GLN A 38 13.423 9.240 2.619 1.00 53.42 O ATOM 557 CB GLN A 38 14.313 11.049 5.088 1.00 23.24 C ATOM 558 CG GLN A 38 14.445 11.520 6.528 1.00 21.54 C ATOM 559 CD GLN A 38 15.611 12.469 6.727 1.00 74.43 C ATOM 560 OE1 GLN A 38 15.450 13.563 7.266 1.00 50.53 O ATOM 561 NE2 GLN A 38 16.794 12.053 6.289 1.00 21.24 N ATOM 0 H GLN A 38 14.659 8.645 5.560 1.00 15.32 H new ATOM 0 HA GLN A 38 12.339 10.291 5.470 1.00 20.15 H new ATOM 0 HB2 GLN A 38 15.265 10.629 4.763 1.00 23.24 H new ATOM 0 HB3 GLN A 38 14.109 11.909 4.450 1.00 23.24 H new ATOM 0 HG2 GLN A 38 13.522 12.016 6.830 1.00 21.54 H new ATOM 0 HG3 GLN A 38 14.570 10.655 7.179 1.00 21.54 H new ATOM 0 HE21 GLN A 38 16.881 11.138 5.848 1.00 21.24 H new ATOM 0 HE22 GLN A 38 17.615 12.649 6.394 1.00 21.24 H new ATOM 568 N GLY A 39 11.779 10.712 3.060 1.00 42.12 N ATOM 569 CA GLY A 39 11.314 10.737 1.686 1.00 40.04 C ATOM 570 C GLY A 39 10.715 9.415 1.252 1.00 15.23 C ATOM 571 O GLY A 39 10.818 9.030 0.088 1.00 75.24 O ATOM 0 H GLY A 39 11.257 11.310 3.700 1.00 42.12 H new ATOM 0 HA2 GLY A 39 10.569 11.525 1.572 1.00 40.04 H new ATOM 0 HA3 GLY A 39 12.146 10.988 1.029 1.00 40.04 H new ATOM 575 N ALA A 40 10.088 8.715 2.192 1.00 33.45 N ATOM 576 CA ALA A 40 9.470 7.426 1.901 1.00 53.55 C ATOM 577 C ALA A 40 8.024 7.390 2.384 1.00 64.11 C ATOM 578 O ALA A 40 7.658 8.086 3.332 1.00 14.04 O ATOM 579 CB ALA A 40 10.270 6.301 2.538 1.00 1.53 C ATOM 0 H ALA A 40 9.994 9.018 3.161 1.00 33.45 H new ATOM 0 HA ALA A 40 9.468 7.287 0.820 1.00 53.55 H new ATOM 0 HB1 ALA A 40 9.797 5.345 2.312 1.00 1.53 H new ATOM 0 HB2 ALA A 40 11.285 6.306 2.141 1.00 1.53 H new ATOM 0 HB3 ALA A 40 10.302 6.444 3.618 1.00 1.53 H new ATOM 585 N TYR A 41 7.206 6.576 1.727 1.00 51.32 N ATOM 586 CA TYR A 41 5.799 6.451 2.087 1.00 41.22 C ATOM 587 C TYR A 41 5.391 4.985 2.191 1.00 4.41 C ATOM 588 O TYR A 41 5.690 4.181 1.309 1.00 14.53 O ATOM 589 CB TYR A 41 4.921 7.165 1.057 1.00 22.24 C ATOM 590 CG TYR A 41 4.839 8.659 1.263 1.00 45.13 C ATOM 591 CD1 TYR A 41 3.869 9.216 2.087 1.00 54.23 C ATOM 592 CD2 TYR A 41 5.734 9.517 0.634 1.00 4.55 C ATOM 593 CE1 TYR A 41 3.789 10.581 2.277 1.00 50.35 C ATOM 594 CE2 TYR A 41 5.663 10.885 0.820 1.00 60.41 C ATOM 595 CZ TYR A 41 4.689 11.412 1.641 1.00 1.21 C ATOM 596 OH TYR A 41 4.615 12.773 1.830 1.00 52.02 O ATOM 0 H TYR A 41 7.493 5.992 0.941 1.00 51.32 H new ATOM 0 HA TYR A 41 5.657 6.919 3.061 1.00 41.22 H new ATOM 0 HB2 TYR A 41 5.311 6.965 0.059 1.00 22.24 H new ATOM 0 HB3 TYR A 41 3.916 6.746 1.096 1.00 22.24 H new ATOM 0 HD1 TYR A 41 3.164 8.569 2.588 1.00 54.23 H new ATOM 0 HD2 TYR A 41 6.498 9.108 -0.011 1.00 4.55 H new ATOM 0 HE1 TYR A 41 3.027 10.996 2.920 1.00 50.35 H new ATOM 0 HE2 TYR A 41 6.367 11.537 0.325 1.00 60.41 H new ATOM 0 HH TYR A 41 5.321 13.214 1.313 1.00 52.02 H new ATOM 605 N GLY A 42 4.705 4.644 3.279 1.00 71.15 N ATOM 606 CA GLY A 42 4.266 3.276 3.480 1.00 74.22 C ATOM 607 C GLY A 42 2.981 2.964 2.738 1.00 34.01 C ATOM 608 O GLY A 42 1.921 3.503 3.063 1.00 22.54 O ATOM 0 H GLY A 42 4.446 5.291 4.024 1.00 71.15 H new ATOM 0 HA2 GLY A 42 5.049 2.594 3.147 1.00 74.22 H new ATOM 0 HA3 GLY A 42 4.119 3.098 4.545 1.00 74.22 H new ATOM 612 N LEU A 43 3.072 2.095 1.738 1.00 33.03 N ATOM 613 CA LEU A 43 1.908 1.713 0.947 1.00 73.12 C ATOM 614 C LEU A 43 1.414 0.324 1.339 1.00 73.01 C ATOM 615 O LEU A 43 2.176 -0.642 1.330 1.00 64.14 O ATOM 616 CB LEU A 43 2.247 1.744 -0.544 1.00 22.44 C ATOM 617 CG LEU A 43 1.127 1.326 -1.496 1.00 34.52 C ATOM 618 CD1 LEU A 43 0.009 2.356 -1.493 1.00 41.14 C ATOM 619 CD2 LEU A 43 1.669 1.129 -2.904 1.00 74.34 C ATOM 0 H LEU A 43 3.941 1.641 1.455 1.00 33.03 H new ATOM 0 HA LEU A 43 1.113 2.431 1.148 1.00 73.12 H new ATOM 0 HB2 LEU A 43 2.559 2.755 -0.804 1.00 22.44 H new ATOM 0 HB3 LEU A 43 3.104 1.092 -0.715 1.00 22.44 H new ATOM 0 HG LEU A 43 0.718 0.377 -1.149 1.00 34.52 H new ATOM 0 HD11 LEU A 43 -0.779 2.040 -2.177 1.00 41.14 H new ATOM 0 HD12 LEU A 43 -0.399 2.447 -0.486 1.00 41.14 H new ATOM 0 HD13 LEU A 43 0.402 3.321 -1.813 1.00 41.14 H new ATOM 0 HD21 LEU A 43 0.857 0.832 -3.568 1.00 74.34 H new ATOM 0 HD22 LEU A 43 2.105 2.062 -3.260 1.00 74.34 H new ATOM 0 HD23 LEU A 43 2.433 0.352 -2.894 1.00 74.34 H new ATOM 630 N ALA A 44 0.133 0.232 1.680 1.00 3.25 N ATOM 631 CA ALA A 44 -0.464 -1.039 2.071 1.00 23.05 C ATOM 632 C ALA A 44 -1.572 -1.446 1.106 1.00 31.10 C ATOM 633 O ALA A 44 -2.386 -0.618 0.696 1.00 71.12 O ATOM 634 CB ALA A 44 -1.003 -0.955 3.491 1.00 1.22 C ATOM 0 H ALA A 44 -0.511 1.023 1.693 1.00 3.25 H new ATOM 0 HA ALA A 44 0.313 -1.803 2.034 1.00 23.05 H new ATOM 0 HB1 ALA A 44 -1.446 -1.911 3.769 1.00 1.22 H new ATOM 0 HB2 ALA A 44 -0.189 -0.719 4.176 1.00 1.22 H new ATOM 0 HB3 ALA A 44 -1.761 -0.174 3.547 1.00 1.22 H new ATOM 640 N LEU A 45 -1.598 -2.724 0.747 1.00 71.42 N ATOM 641 CA LEU A 45 -2.607 -3.240 -0.172 1.00 35.33 C ATOM 642 C LEU A 45 -3.189 -4.554 0.340 1.00 23.11 C ATOM 643 O LEU A 45 -2.477 -5.378 0.918 1.00 73.35 O ATOM 644 CB LEU A 45 -2.003 -3.445 -1.563 1.00 5.04 C ATOM 645 CG LEU A 45 -2.883 -4.177 -2.576 1.00 72.24 C ATOM 646 CD1 LEU A 45 -4.233 -3.489 -2.705 1.00 61.13 C ATOM 647 CD2 LEU A 45 -2.189 -4.252 -3.928 1.00 35.13 C ATOM 0 H LEU A 45 -0.932 -3.422 1.078 1.00 71.42 H new ATOM 0 HA LEU A 45 -3.412 -2.507 -0.236 1.00 35.33 H new ATOM 0 HB2 LEU A 45 -1.747 -2.468 -1.973 1.00 5.04 H new ATOM 0 HB3 LEU A 45 -1.071 -3.999 -1.454 1.00 5.04 H new ATOM 0 HG LEU A 45 -3.049 -5.193 -2.218 1.00 72.24 H new ATOM 0 HD11 LEU A 45 -4.846 -4.024 -3.430 1.00 61.13 H new ATOM 0 HD12 LEU A 45 -4.734 -3.487 -1.737 1.00 61.13 H new ATOM 0 HD13 LEU A 45 -4.087 -2.462 -3.040 1.00 61.13 H new ATOM 0 HD21 LEU A 45 -2.830 -4.776 -4.637 1.00 35.13 H new ATOM 0 HD22 LEU A 45 -1.993 -3.244 -4.293 1.00 35.13 H new ATOM 0 HD23 LEU A 45 -1.247 -4.790 -3.824 1.00 35.13 H new ATOM 658 N LYS A 46 -4.485 -4.745 0.124 1.00 30.43 N ATOM 659 CA LYS A 46 -5.163 -5.960 0.561 1.00 33.10 C ATOM 660 C LYS A 46 -5.308 -6.948 -0.594 1.00 44.22 C ATOM 661 O LYS A 46 -5.786 -6.592 -1.671 1.00 60.13 O ATOM 662 CB LYS A 46 -6.542 -5.623 1.133 1.00 62.33 C ATOM 663 CG LYS A 46 -7.018 -6.603 2.191 1.00 62.12 C ATOM 664 CD LYS A 46 -7.202 -7.997 1.616 1.00 12.31 C ATOM 665 CE LYS A 46 -8.279 -8.770 2.363 1.00 32.34 C ATOM 666 NZ LYS A 46 -9.643 -8.260 2.054 1.00 53.14 N ATOM 0 H LYS A 46 -5.088 -4.074 -0.351 1.00 30.43 H new ATOM 0 HA LYS A 46 -4.557 -6.423 1.340 1.00 33.10 H new ATOM 0 HB2 LYS A 46 -6.513 -4.622 1.564 1.00 62.33 H new ATOM 0 HB3 LYS A 46 -7.267 -5.599 0.320 1.00 62.33 H new ATOM 0 HG2 LYS A 46 -6.297 -6.637 3.007 1.00 62.12 H new ATOM 0 HG3 LYS A 46 -7.961 -6.255 2.613 1.00 62.12 H new ATOM 0 HD2 LYS A 46 -7.469 -7.925 0.562 1.00 12.31 H new ATOM 0 HD3 LYS A 46 -6.259 -8.541 1.669 1.00 12.31 H new ATOM 0 HE2 LYS A 46 -8.218 -9.826 2.099 1.00 32.34 H new ATOM 0 HE3 LYS A 46 -8.099 -8.699 3.436 1.00 32.34 H new ATOM 0 HZ1 LYS A 46 -10.199 -8.202 2.931 1.00 53.14 H new ATOM 0 HZ2 LYS A 46 -9.572 -7.315 1.626 1.00 53.14 H new ATOM 0 HZ3 LYS A 46 -10.113 -8.906 1.388 1.00 53.14 H new ATOM 676 N VAL A 47 -4.894 -8.188 -0.361 1.00 23.31 N ATOM 677 CA VAL A 47 -4.980 -9.227 -1.381 1.00 64.53 C ATOM 678 C VAL A 47 -6.059 -10.247 -1.037 1.00 53.41 C ATOM 679 O VAL A 47 -6.431 -10.404 0.126 1.00 74.53 O ATOM 680 CB VAL A 47 -3.635 -9.957 -1.554 1.00 1.12 C ATOM 681 CG1 VAL A 47 -2.524 -8.966 -1.865 1.00 13.41 C ATOM 682 CG2 VAL A 47 -3.304 -10.766 -0.308 1.00 34.12 C ATOM 0 H VAL A 47 -4.495 -8.499 0.525 1.00 23.31 H new ATOM 0 HA VAL A 47 -5.238 -8.731 -2.317 1.00 64.53 H new ATOM 0 HB VAL A 47 -3.721 -10.645 -2.395 1.00 1.12 H new ATOM 0 HG11 VAL A 47 -1.582 -9.501 -1.984 1.00 13.41 H new ATOM 0 HG12 VAL A 47 -2.758 -8.435 -2.787 1.00 13.41 H new ATOM 0 HG13 VAL A 47 -2.435 -8.251 -1.047 1.00 13.41 H new ATOM 0 HG21 VAL A 47 -2.350 -11.275 -0.448 1.00 34.12 H new ATOM 0 HG22 VAL A 47 -3.237 -10.099 0.552 1.00 34.12 H new ATOM 0 HG23 VAL A 47 -4.087 -11.504 -0.134 1.00 34.12 H new ATOM 692 N ALA A 48 -6.558 -10.939 -2.056 1.00 10.40 N ATOM 693 CA ALA A 48 -7.594 -11.946 -1.861 1.00 23.31 C ATOM 694 C ALA A 48 -7.187 -12.951 -0.789 1.00 22.31 C ATOM 695 O ALA A 48 -7.806 -13.027 0.274 1.00 60.42 O ATOM 696 CB ALA A 48 -7.889 -12.661 -3.171 1.00 60.14 C ATOM 0 H ALA A 48 -6.262 -10.821 -3.025 1.00 10.40 H new ATOM 0 HA ALA A 48 -8.499 -11.440 -1.524 1.00 23.31 H new ATOM 0 HB1 ALA A 48 -8.664 -13.410 -3.010 1.00 60.14 H new ATOM 0 HB2 ALA A 48 -8.231 -11.938 -3.911 1.00 60.14 H new ATOM 0 HB3 ALA A 48 -6.983 -13.148 -3.532 1.00 60.14 H new ATOM 909 N LEU A 65 -2.380 -11.766 3.928 1.00 61.31 N ATOM 910 CA LEU A 65 -3.578 -11.135 3.384 1.00 24.42 C ATOM 911 C LEU A 65 -3.347 -9.645 3.146 1.00 13.12 C ATOM 912 O LEU A 65 -4.072 -9.010 2.380 1.00 63.01 O ATOM 913 CB LEU A 65 -4.760 -11.335 4.333 1.00 32.12 C ATOM 914 CG LEU A 65 -4.918 -12.738 4.921 1.00 74.22 C ATOM 915 CD1 LEU A 65 -5.986 -12.745 6.003 1.00 1.22 C ATOM 916 CD2 LEU A 65 -5.260 -13.739 3.826 1.00 2.13 C ATOM 0 HA LEU A 65 -3.805 -11.606 2.428 1.00 24.42 H new ATOM 0 HB2 LEU A 65 -4.664 -10.627 5.156 1.00 32.12 H new ATOM 0 HB3 LEU A 65 -5.676 -11.081 3.799 1.00 32.12 H new ATOM 0 HG LEU A 65 -3.970 -13.032 5.372 1.00 74.22 H new ATOM 0 HD11 LEU A 65 -6.085 -13.751 6.410 1.00 1.22 H new ATOM 0 HD12 LEU A 65 -5.701 -12.058 6.800 1.00 1.22 H new ATOM 0 HD13 LEU A 65 -6.939 -12.431 5.576 1.00 1.22 H new ATOM 0 HD21 LEU A 65 -5.369 -14.732 4.262 1.00 2.13 H new ATOM 0 HD22 LEU A 65 -6.195 -13.449 3.347 1.00 2.13 H new ATOM 0 HD23 LEU A 65 -4.461 -13.754 3.084 1.00 2.13 H new ATOM 927 N VAL A 66 -2.334 -9.095 3.807 1.00 73.52 N ATOM 928 CA VAL A 66 -2.007 -7.682 3.665 1.00 24.42 C ATOM 929 C VAL A 66 -0.526 -7.489 3.356 1.00 61.23 C ATOM 930 O VAL A 66 0.339 -7.930 4.113 1.00 60.53 O ATOM 931 CB VAL A 66 -2.361 -6.893 4.939 1.00 4.32 C ATOM 932 CG1 VAL A 66 -1.992 -5.426 4.780 1.00 15.10 C ATOM 933 CG2 VAL A 66 -3.838 -7.047 5.267 1.00 31.31 C ATOM 0 H VAL A 66 -1.726 -9.607 4.446 1.00 73.52 H new ATOM 0 HA VAL A 66 -2.601 -7.302 2.834 1.00 24.42 H new ATOM 0 HB VAL A 66 -1.783 -7.300 5.769 1.00 4.32 H new ATOM 0 HG11 VAL A 66 -2.250 -4.885 5.691 1.00 15.10 H new ATOM 0 HG12 VAL A 66 -0.921 -5.338 4.597 1.00 15.10 H new ATOM 0 HG13 VAL A 66 -2.540 -5.002 3.939 1.00 15.10 H new ATOM 0 HG21 VAL A 66 -4.071 -6.483 6.170 1.00 31.31 H new ATOM 0 HG22 VAL A 66 -4.436 -6.668 4.438 1.00 31.31 H new ATOM 0 HG23 VAL A 66 -4.067 -8.100 5.428 1.00 31.31 H new ATOM 943 N ARG A 67 -0.241 -6.827 2.240 1.00 71.45 N ATOM 944 CA ARG A 67 1.135 -6.576 1.830 1.00 43.02 C ATOM 945 C ARG A 67 1.480 -5.095 1.960 1.00 52.12 C ATOM 946 O ARG A 67 0.889 -4.248 1.288 1.00 45.32 O ATOM 947 CB ARG A 67 1.353 -7.036 0.388 1.00 65.23 C ATOM 948 CG ARG A 67 1.709 -8.508 0.267 1.00 75.51 C ATOM 949 CD ARG A 67 2.608 -8.767 -0.933 1.00 72.23 C ATOM 950 NE ARG A 67 3.190 -10.106 -0.902 1.00 22.13 N ATOM 951 CZ ARG A 67 4.254 -10.461 -1.614 1.00 70.01 C ATOM 952 NH1 ARG A 67 4.848 -9.582 -2.409 1.00 12.41 N ATOM 953 NH2 ARG A 67 4.725 -11.699 -1.533 1.00 4.02 N ATOM 0 H ARG A 67 -0.945 -6.454 1.603 1.00 71.45 H new ATOM 0 HA ARG A 67 1.792 -7.144 2.488 1.00 43.02 H new ATOM 0 HB2 ARG A 67 0.448 -6.841 -0.188 1.00 65.23 H new ATOM 0 HB3 ARG A 67 2.149 -6.440 -0.058 1.00 65.23 H new ATOM 0 HG2 ARG A 67 2.210 -8.838 1.177 1.00 75.51 H new ATOM 0 HG3 ARG A 67 0.797 -9.098 0.174 1.00 75.51 H new ATOM 0 HD2 ARG A 67 2.033 -8.643 -1.850 1.00 72.23 H new ATOM 0 HD3 ARG A 67 3.406 -8.025 -0.955 1.00 72.23 H new ATOM 0 HE ARG A 67 2.756 -10.807 -0.301 1.00 22.13 H new ATOM 0 HH11 ARG A 67 4.488 -8.630 -2.475 1.00 12.41 H new ATOM 0 HH12 ARG A 67 5.665 -9.858 -2.954 1.00 12.41 H new ATOM 0 HH21 ARG A 67 4.270 -12.379 -0.924 1.00 4.02 H new ATOM 0 HH22 ARG A 67 5.542 -11.971 -2.080 1.00 4.02 H new ATOM 964 N HIS A 68 2.439 -4.789 2.829 1.00 53.14 N ATOM 965 CA HIS A 68 2.862 -3.411 3.046 1.00 42.04 C ATOM 966 C HIS A 68 4.332 -3.229 2.681 1.00 62.02 C ATOM 967 O HIS A 68 5.200 -3.940 3.187 1.00 62.42 O ATOM 968 CB HIS A 68 2.634 -3.008 4.503 1.00 11.14 C ATOM 969 CG HIS A 68 3.115 -4.029 5.489 1.00 71.20 C ATOM 970 ND1 HIS A 68 4.292 -3.897 6.195 1.00 61.42 N ATOM 971 CD2 HIS A 68 2.570 -5.203 5.885 1.00 15.22 C ATOM 972 CE1 HIS A 68 4.451 -4.946 6.981 1.00 13.35 C ATOM 973 NE2 HIS A 68 3.419 -5.754 6.813 1.00 72.30 N ATOM 0 H HIS A 68 2.937 -5.477 3.394 1.00 53.14 H new ATOM 0 HA HIS A 68 2.263 -2.768 2.401 1.00 42.04 H new ATOM 0 HB2 HIS A 68 3.142 -2.063 4.694 1.00 11.14 H new ATOM 0 HB3 HIS A 68 1.570 -2.835 4.661 1.00 11.14 H new ATOM 0 HD2 HIS A 68 1.640 -5.627 5.536 1.00 15.22 H new ATOM 0 HE1 HIS A 68 5.283 -5.115 7.648 1.00 13.35 H new ATOM 0 HE2 HIS A 68 3.276 -6.642 7.294 1.00 72.30 H new ATOM 980 N PHE A 69 4.604 -2.273 1.797 1.00 5.24 N ATOM 981 CA PHE A 69 5.969 -2.000 1.364 1.00 71.35 C ATOM 982 C PHE A 69 6.277 -0.508 1.446 1.00 72.23 C ATOM 983 O PHE A 69 5.374 0.329 1.392 1.00 33.52 O ATOM 984 CB PHE A 69 6.180 -2.498 -0.068 1.00 24.42 C ATOM 985 CG PHE A 69 6.099 -3.992 -0.201 1.00 73.11 C ATOM 986 CD1 PHE A 69 6.785 -4.817 0.675 1.00 1.20 C ATOM 987 CD2 PHE A 69 5.336 -4.571 -1.202 1.00 51.41 C ATOM 988 CE1 PHE A 69 6.713 -6.191 0.554 1.00 12.24 C ATOM 989 CE2 PHE A 69 5.259 -5.945 -1.328 1.00 2.51 C ATOM 990 CZ PHE A 69 5.948 -6.757 -0.448 1.00 0.13 C ATOM 0 H PHE A 69 3.897 -1.676 1.368 1.00 5.24 H new ATOM 0 HA PHE A 69 6.649 -2.530 2.031 1.00 71.35 H new ATOM 0 HB2 PHE A 69 5.432 -2.042 -0.717 1.00 24.42 H new ATOM 0 HB3 PHE A 69 7.155 -2.162 -0.421 1.00 24.42 H new ATOM 0 HD1 PHE A 69 7.383 -4.381 1.462 1.00 1.20 H new ATOM 0 HD2 PHE A 69 4.795 -3.941 -1.892 1.00 51.41 H new ATOM 0 HE1 PHE A 69 7.254 -6.823 1.242 1.00 12.24 H new ATOM 0 HE2 PHE A 69 4.661 -6.383 -2.113 1.00 2.51 H new ATOM 0 HZ PHE A 69 5.889 -7.831 -0.543 1.00 0.13 H new ATOM 999 N LEU A 70 7.558 -0.181 1.577 1.00 21.22 N ATOM 1000 CA LEU A 70 7.988 1.211 1.667 1.00 10.33 C ATOM 1001 C LEU A 70 8.479 1.717 0.315 1.00 63.40 C ATOM 1002 O LEU A 70 9.398 1.148 -0.275 1.00 25.42 O ATOM 1003 CB LEU A 70 9.094 1.356 2.713 1.00 64.22 C ATOM 1004 CG LEU A 70 10.219 0.323 2.648 1.00 4.03 C ATOM 1005 CD1 LEU A 70 11.570 0.991 2.850 1.00 33.42 C ATOM 1006 CD2 LEU A 70 10.001 -0.768 3.688 1.00 63.25 C ATOM 0 H LEU A 70 8.317 -0.860 1.623 1.00 21.22 H new ATOM 0 HA LEU A 70 7.131 1.813 1.969 1.00 10.33 H new ATOM 0 HB2 LEU A 70 9.533 2.349 2.613 1.00 64.22 H new ATOM 0 HB3 LEU A 70 8.639 1.307 3.702 1.00 64.22 H new ATOM 0 HG LEU A 70 10.208 -0.136 1.659 1.00 4.03 H new ATOM 0 HD11 LEU A 70 12.358 0.240 2.800 1.00 33.42 H new ATOM 0 HD12 LEU A 70 11.728 1.735 2.069 1.00 33.42 H new ATOM 0 HD13 LEU A 70 11.593 1.477 3.825 1.00 33.42 H new ATOM 0 HD21 LEU A 70 10.811 -1.495 3.628 1.00 63.25 H new ATOM 0 HD22 LEU A 70 9.985 -0.324 4.683 1.00 63.25 H new ATOM 0 HD23 LEU A 70 9.051 -1.267 3.498 1.00 63.25 H new ATOM 1017 N ILE A 71 7.864 2.791 -0.169 1.00 2.24 N ATOM 1018 CA ILE A 71 8.242 3.376 -1.449 1.00 10.24 C ATOM 1019 C ILE A 71 9.172 4.568 -1.254 1.00 71.04 C ATOM 1020 O ILE A 71 8.935 5.420 -0.399 1.00 52.52 O ATOM 1021 CB ILE A 71 7.005 3.829 -2.247 1.00 33.32 C ATOM 1022 CG1 ILE A 71 5.925 2.746 -2.214 1.00 33.04 C ATOM 1023 CG2 ILE A 71 7.392 4.154 -3.682 1.00 61.11 C ATOM 1024 CD1 ILE A 71 4.669 3.120 -2.971 1.00 25.43 C ATOM 0 H ILE A 71 7.102 3.274 0.306 1.00 2.24 H new ATOM 0 HA ILE A 71 8.762 2.600 -2.010 1.00 10.24 H new ATOM 0 HB ILE A 71 6.603 4.731 -1.785 1.00 33.32 H new ATOM 0 HG12 ILE A 71 6.332 1.826 -2.634 1.00 33.04 H new ATOM 0 HG13 ILE A 71 5.665 2.535 -1.177 1.00 33.04 H new ATOM 0 HG21 ILE A 71 6.508 4.473 -4.234 1.00 61.11 H new ATOM 0 HG22 ILE A 71 8.131 4.955 -3.687 1.00 61.11 H new ATOM 0 HG23 ILE A 71 7.815 3.267 -4.155 1.00 61.11 H new ATOM 0 HD11 ILE A 71 3.948 2.305 -2.904 1.00 25.43 H new ATOM 0 HD12 ILE A 71 4.238 4.022 -2.537 1.00 25.43 H new ATOM 0 HD13 ILE A 71 4.915 3.302 -4.017 1.00 25.43 H new ATOM 1035 N GLU A 72 10.230 4.623 -2.058 1.00 4.53 N ATOM 1036 CA GLU A 72 11.196 5.713 -1.975 1.00 4.31 C ATOM 1037 C GLU A 72 11.180 6.551 -3.248 1.00 61.35 C ATOM 1038 O GLU A 72 11.135 6.018 -4.358 1.00 11.12 O ATOM 1039 CB GLU A 72 12.602 5.161 -1.731 1.00 33.42 C ATOM 1040 CG GLU A 72 13.356 5.880 -0.626 1.00 12.13 C ATOM 1041 CD GLU A 72 14.801 5.433 -0.519 1.00 24.11 C ATOM 1042 OE1 GLU A 72 15.057 4.403 0.138 1.00 63.21 O ATOM 1043 OE2 GLU A 72 15.675 6.115 -1.093 1.00 22.31 O ATOM 0 H GLU A 72 10.440 3.927 -2.773 1.00 4.53 H new ATOM 0 HA GLU A 72 10.914 6.351 -1.137 1.00 4.31 H new ATOM 0 HB2 GLU A 72 12.529 4.103 -1.480 1.00 33.42 H new ATOM 0 HB3 GLU A 72 13.176 5.231 -2.655 1.00 33.42 H new ATOM 0 HG2 GLU A 72 13.325 6.954 -0.809 1.00 12.13 H new ATOM 0 HG3 GLU A 72 12.854 5.704 0.325 1.00 12.13 H new ATOM 1048 N THR A 73 11.219 7.870 -3.083 1.00 52.33 N ATOM 1049 CA THR A 73 11.207 8.784 -4.219 1.00 23.15 C ATOM 1050 C THR A 73 12.476 9.626 -4.258 1.00 64.23 C ATOM 1051 O THR A 73 12.786 10.346 -3.310 1.00 3.32 O ATOM 1052 CB THR A 73 9.985 9.720 -4.175 1.00 2.31 C ATOM 1053 OG1 THR A 73 10.070 10.688 -5.226 1.00 64.11 O ATOM 1054 CG2 THR A 73 9.894 10.429 -2.832 1.00 10.44 C ATOM 0 H THR A 73 11.259 8.329 -2.173 1.00 52.33 H new ATOM 0 HA THR A 73 11.152 8.170 -5.118 1.00 23.15 H new ATOM 0 HB THR A 73 9.088 9.116 -4.311 1.00 2.31 H new ATOM 0 HG1 THR A 73 9.288 11.278 -5.191 1.00 64.11 H new ATOM 0 HG21 THR A 73 9.023 11.084 -2.825 1.00 10.44 H new ATOM 0 HG22 THR A 73 9.799 9.690 -2.036 1.00 10.44 H new ATOM 0 HG23 THR A 73 10.795 11.021 -2.671 1.00 10.44 H new ATOM 1062 N GLY A 74 13.208 9.534 -5.364 1.00 62.54 N ATOM 1063 CA GLY A 74 14.437 10.294 -5.507 1.00 31.11 C ATOM 1064 C GLY A 74 14.522 11.013 -6.839 1.00 13.11 C ATOM 1065 O GLY A 74 13.537 11.133 -7.568 1.00 33.34 O ATOM 0 H GLY A 74 12.972 8.947 -6.164 1.00 62.54 H new ATOM 0 HA2 GLY A 74 14.506 11.023 -4.699 1.00 31.11 H new ATOM 0 HA3 GLY A 74 15.290 9.623 -5.405 1.00 31.11 H new ATOM 1069 N PRO A 75 15.722 11.510 -7.172 1.00 22.53 N ATOM 1070 CA PRO A 75 15.961 12.230 -8.426 1.00 53.10 C ATOM 1071 C PRO A 75 15.893 11.314 -9.644 1.00 3.40 C ATOM 1072 O PRO A 75 15.935 11.775 -10.784 1.00 64.23 O ATOM 1073 CB PRO A 75 17.377 12.784 -8.253 1.00 42.10 C ATOM 1074 CG PRO A 75 18.029 11.862 -7.282 1.00 42.51 C ATOM 1075 CD PRO A 75 16.940 11.404 -6.350 1.00 72.33 C ATOM 0 HA PRO A 75 15.207 12.997 -8.605 1.00 53.10 H new ATOM 0 HB2 PRO A 75 17.913 12.803 -9.202 1.00 42.10 H new ATOM 0 HB3 PRO A 75 17.359 13.807 -7.877 1.00 42.10 H new ATOM 0 HG2 PRO A 75 18.486 11.015 -7.794 1.00 42.51 H new ATOM 0 HG3 PRO A 75 18.823 12.370 -6.735 1.00 42.51 H new ATOM 0 HD2 PRO A 75 17.107 10.383 -6.008 1.00 72.33 H new ATOM 0 HD3 PRO A 75 16.881 12.032 -5.461 1.00 72.33 H new ATOM 1080 N LYS A 76 15.785 10.013 -9.394 1.00 62.52 N ATOM 1081 CA LYS A 76 15.709 9.031 -10.469 1.00 51.11 C ATOM 1082 C LYS A 76 14.299 8.459 -10.585 1.00 43.44 C ATOM 1083 O LYS A 76 14.038 7.589 -11.413 1.00 30.14 O ATOM 1084 CB LYS A 76 16.712 7.901 -10.227 1.00 15.01 C ATOM 1085 CG LYS A 76 18.099 8.192 -10.771 1.00 10.24 C ATOM 1086 CD LYS A 76 18.146 8.052 -12.283 1.00 50.01 C ATOM 1087 CE LYS A 76 18.679 6.689 -12.700 1.00 55.05 C ATOM 1088 NZ LYS A 76 19.241 6.713 -14.079 1.00 11.35 N ATOM 0 H LYS A 76 15.748 9.614 -8.456 1.00 62.52 H new ATOM 0 HA LYS A 76 15.956 9.533 -11.404 1.00 51.11 H new ATOM 0 HB2 LYS A 76 16.783 7.713 -9.156 1.00 15.01 H new ATOM 0 HB3 LYS A 76 16.335 6.987 -10.687 1.00 15.01 H new ATOM 0 HG2 LYS A 76 18.397 9.202 -10.489 1.00 10.24 H new ATOM 0 HG3 LYS A 76 18.819 7.509 -10.319 1.00 10.24 H new ATOM 0 HD2 LYS A 76 17.147 8.194 -12.694 1.00 50.01 H new ATOM 0 HD3 LYS A 76 18.778 8.835 -12.703 1.00 50.01 H new ATOM 0 HE2 LYS A 76 19.450 6.370 -11.999 1.00 55.05 H new ATOM 0 HE3 LYS A 76 17.876 5.953 -12.647 1.00 55.05 H new ATOM 0 HZ1 LYS A 76 19.594 5.767 -14.327 1.00 11.35 H new ATOM 0 HZ2 LYS A 76 18.499 6.993 -14.752 1.00 11.35 H new ATOM 0 HZ3 LYS A 76 20.024 7.397 -14.123 1.00 11.35 H new ATOM 1098 N GLY A 77 13.394 8.956 -9.748 1.00 51.44 N ATOM 1099 CA GLY A 77 12.021 8.484 -9.774 1.00 3.35 C ATOM 1100 C GLY A 77 11.616 7.812 -8.477 1.00 53.21 C ATOM 1101 O GLY A 77 12.429 7.660 -7.567 1.00 5.30 O ATOM 0 H GLY A 77 13.586 9.677 -9.052 1.00 51.44 H new ATOM 0 HA2 GLY A 77 11.354 9.324 -9.968 1.00 3.35 H new ATOM 0 HA3 GLY A 77 11.897 7.782 -10.598 1.00 3.35 H new ATOM 1105 N VAL A 78 10.351 7.407 -8.393 1.00 45.32 N ATOM 1106 CA VAL A 78 9.839 6.748 -7.197 1.00 74.15 C ATOM 1107 C VAL A 78 9.522 5.283 -7.471 1.00 53.22 C ATOM 1108 O VAL A 78 8.820 4.956 -8.429 1.00 24.42 O ATOM 1109 CB VAL A 78 8.570 7.447 -6.672 1.00 31.12 C ATOM 1110 CG1 VAL A 78 7.499 7.491 -7.751 1.00 55.31 C ATOM 1111 CG2 VAL A 78 8.053 6.745 -5.426 1.00 20.25 C ATOM 0 H VAL A 78 9.664 7.524 -9.138 1.00 45.32 H new ATOM 0 HA VAL A 78 10.621 6.812 -6.440 1.00 74.15 H new ATOM 0 HB VAL A 78 8.825 8.472 -6.405 1.00 31.12 H new ATOM 0 HG11 VAL A 78 6.611 7.988 -7.362 1.00 55.31 H new ATOM 0 HG12 VAL A 78 7.874 8.041 -8.614 1.00 55.31 H new ATOM 0 HG13 VAL A 78 7.244 6.475 -8.052 1.00 55.31 H new ATOM 0 HG21 VAL A 78 7.157 7.252 -5.068 1.00 20.25 H new ATOM 0 HG22 VAL A 78 7.813 5.709 -5.665 1.00 20.25 H new ATOM 0 HG23 VAL A 78 8.818 6.771 -4.650 1.00 20.25 H new ATOM 1121 N LYS A 79 10.043 4.402 -6.624 1.00 71.23 N ATOM 1122 CA LYS A 79 9.816 2.969 -6.772 1.00 53.31 C ATOM 1123 C LYS A 79 9.507 2.325 -5.425 1.00 23.04 C ATOM 1124 O LYS A 79 9.883 2.849 -4.376 1.00 0.52 O ATOM 1125 CB LYS A 79 11.040 2.300 -7.401 1.00 51.14 C ATOM 1126 CG LYS A 79 12.212 2.156 -6.446 1.00 44.32 C ATOM 1127 CD LYS A 79 12.218 0.795 -5.773 1.00 22.35 C ATOM 1128 CE LYS A 79 12.975 0.828 -4.453 1.00 74.22 C ATOM 1129 NZ LYS A 79 14.348 1.381 -4.616 1.00 21.40 N ATOM 0 H LYS A 79 10.626 4.656 -5.827 1.00 71.23 H new ATOM 0 HA LYS A 79 8.956 2.829 -7.427 1.00 53.31 H new ATOM 0 HB2 LYS A 79 10.757 1.313 -7.766 1.00 51.14 H new ATOM 0 HB3 LYS A 79 11.357 2.882 -8.267 1.00 51.14 H new ATOM 0 HG2 LYS A 79 13.146 2.298 -6.990 1.00 44.32 H new ATOM 0 HG3 LYS A 79 12.163 2.938 -5.688 1.00 44.32 H new ATOM 0 HD2 LYS A 79 11.192 0.470 -5.597 1.00 22.35 H new ATOM 0 HD3 LYS A 79 12.675 0.062 -6.437 1.00 22.35 H new ATOM 0 HE2 LYS A 79 12.423 1.432 -3.733 1.00 74.22 H new ATOM 0 HE3 LYS A 79 13.036 -0.180 -4.044 1.00 74.22 H new ATOM 0 HZ1 LYS A 79 14.855 1.324 -3.710 1.00 21.40 H new ATOM 0 HZ2 LYS A 79 14.861 0.831 -5.334 1.00 21.40 H new ATOM 0 HZ3 LYS A 79 14.289 2.374 -4.918 1.00 21.40 H new ATOM 1139 N ILE A 80 8.824 1.187 -5.462 1.00 3.44 N ATOM 1140 CA ILE A 80 8.468 0.471 -4.243 1.00 13.43 C ATOM 1141 C ILE A 80 9.541 -0.547 -3.870 1.00 4.20 C ATOM 1142 O ILE A 80 9.838 -1.463 -4.637 1.00 70.15 O ATOM 1143 CB ILE A 80 7.118 -0.256 -4.390 1.00 42.51 C ATOM 1144 CG1 ILE A 80 6.064 0.694 -4.965 1.00 31.33 C ATOM 1145 CG2 ILE A 80 6.663 -0.807 -3.046 1.00 61.33 C ATOM 1146 CD1 ILE A 80 5.996 0.676 -6.476 1.00 60.02 C ATOM 0 H ILE A 80 8.506 0.741 -6.322 1.00 3.44 H new ATOM 0 HA ILE A 80 8.386 1.217 -3.452 1.00 13.43 H new ATOM 0 HB ILE A 80 7.245 -1.091 -5.079 1.00 42.51 H new ATOM 0 HG12 ILE A 80 5.087 0.427 -4.562 1.00 31.33 H new ATOM 0 HG13 ILE A 80 6.280 1.709 -4.631 1.00 31.33 H new ATOM 0 HG21 ILE A 80 5.708 -1.318 -3.167 1.00 61.33 H new ATOM 0 HG22 ILE A 80 7.406 -1.511 -2.671 1.00 61.33 H new ATOM 0 HG23 ILE A 80 6.549 0.013 -2.336 1.00 61.33 H new ATOM 0 HD11 ILE A 80 5.228 1.372 -6.814 1.00 60.02 H new ATOM 0 HD12 ILE A 80 6.961 0.972 -6.887 1.00 60.02 H new ATOM 0 HD13 ILE A 80 5.749 -0.329 -6.817 1.00 60.02 H new ATOM 1203 N SER A 85 12.921 -5.406 -9.554 1.00 22.14 N ATOM 1204 CA SER A 85 12.454 -4.661 -10.717 1.00 21.54 C ATOM 1205 C SER A 85 12.900 -3.204 -10.644 1.00 31.22 C ATOM 1206 O SER A 85 13.814 -2.788 -11.354 1.00 42.13 O ATOM 1207 CB SER A 85 10.929 -4.736 -10.818 1.00 71.30 C ATOM 1208 OG SER A 85 10.499 -6.061 -11.076 1.00 64.43 O ATOM 0 HA SER A 85 12.892 -5.112 -11.607 1.00 21.54 H new ATOM 0 HB2 SER A 85 10.482 -4.380 -9.890 1.00 71.30 H new ATOM 0 HB3 SER A 85 10.581 -4.076 -11.613 1.00 71.30 H new ATOM 0 HG SER A 85 11.064 -6.691 -10.582 1.00 64.43 H new ATOM 1213 N GLU A 86 12.246 -2.434 -9.780 1.00 22.04 N ATOM 1214 CA GLU A 86 12.574 -1.023 -9.614 1.00 4.04 C ATOM 1215 C GLU A 86 12.366 -0.260 -10.919 1.00 1.31 C ATOM 1216 O GLU A 86 13.312 0.208 -11.552 1.00 61.43 O ATOM 1217 CB GLU A 86 14.022 -0.865 -9.144 1.00 13.41 C ATOM 1218 CG GLU A 86 14.406 -1.821 -8.027 1.00 23.32 C ATOM 1219 CD GLU A 86 15.673 -1.398 -7.308 1.00 33.32 C ATOM 1220 OE1 GLU A 86 16.771 -1.764 -7.777 1.00 73.45 O ATOM 1221 OE2 GLU A 86 15.567 -0.703 -6.277 1.00 71.11 O ATOM 0 H GLU A 86 11.486 -2.763 -9.184 1.00 22.04 H new ATOM 0 HA GLU A 86 11.907 -0.607 -8.859 1.00 4.04 H new ATOM 0 HB2 GLU A 86 14.690 -1.022 -9.991 1.00 13.41 H new ATOM 0 HB3 GLU A 86 14.175 0.159 -8.803 1.00 13.41 H new ATOM 0 HG2 GLU A 86 13.588 -1.882 -7.309 1.00 23.32 H new ATOM 0 HG3 GLU A 86 14.543 -2.820 -8.440 1.00 23.32 H new ATOM 1226 N PRO A 87 11.096 -0.129 -11.331 1.00 35.11 N ATOM 1227 CA PRO A 87 10.731 0.576 -12.563 1.00 64.24 C ATOM 1228 C PRO A 87 10.954 2.081 -12.456 1.00 11.13 C ATOM 1229 O PRO A 87 11.191 2.756 -13.459 1.00 24.04 O ATOM 1230 CB PRO A 87 9.241 0.265 -12.723 1.00 44.34 C ATOM 1231 CG PRO A 87 8.763 -0.016 -11.340 1.00 61.01 C ATOM 1232 CD PRO A 87 9.917 -0.661 -10.626 1.00 30.45 C ATOM 0 HA PRO A 87 11.339 0.258 -13.410 1.00 64.24 H new ATOM 0 HB2 PRO A 87 8.706 1.106 -13.164 1.00 44.34 H new ATOM 0 HB3 PRO A 87 9.083 -0.592 -13.378 1.00 44.34 H new ATOM 0 HG2 PRO A 87 8.458 0.902 -10.838 1.00 61.01 H new ATOM 0 HG3 PRO A 87 7.895 -0.675 -11.354 1.00 61.01 H new ATOM 0 HD2 PRO A 87 9.931 -0.401 -9.568 1.00 30.45 H new ATOM 0 HD3 PRO A 87 9.870 -1.748 -10.686 1.00 30.45 H new ATOM 1237 N TYR A 88 10.877 2.601 -11.236 1.00 35.44 N ATOM 1238 CA TYR A 88 11.067 4.026 -10.999 1.00 43.21 C ATOM 1239 C TYR A 88 10.130 4.854 -11.873 1.00 41.42 C ATOM 1240 O TYR A 88 10.467 5.210 -13.002 1.00 50.35 O ATOM 1241 CB TYR A 88 12.520 4.421 -11.275 1.00 14.34 C ATOM 1242 CG TYR A 88 13.482 3.978 -10.195 1.00 52.23 C ATOM 1243 CD1 TYR A 88 13.577 4.673 -8.995 1.00 72.33 C ATOM 1244 CD2 TYR A 88 14.296 2.868 -10.376 1.00 24.13 C ATOM 1245 CE1 TYR A 88 14.456 4.274 -8.006 1.00 35.34 C ATOM 1246 CE2 TYR A 88 15.176 2.459 -9.392 1.00 44.31 C ATOM 1247 CZ TYR A 88 15.253 3.167 -8.209 1.00 34.45 C ATOM 1248 OH TYR A 88 16.128 2.764 -7.228 1.00 22.42 O ATOM 0 H TYR A 88 10.684 2.056 -10.396 1.00 35.44 H new ATOM 0 HA TYR A 88 10.834 4.228 -9.954 1.00 43.21 H new ATOM 0 HB2 TYR A 88 12.831 3.990 -12.226 1.00 14.34 H new ATOM 0 HB3 TYR A 88 12.580 5.504 -11.381 1.00 14.34 H new ATOM 0 HD1 TYR A 88 12.953 5.540 -8.833 1.00 72.33 H new ATOM 0 HD2 TYR A 88 14.241 2.315 -11.302 1.00 24.13 H new ATOM 0 HE1 TYR A 88 14.518 4.826 -7.080 1.00 35.34 H new ATOM 0 HE2 TYR A 88 15.800 1.591 -9.547 1.00 44.31 H new ATOM 0 HH TYR A 88 16.613 1.968 -7.530 1.00 22.42 H new ATOM 1257 N PHE A 89 8.950 5.158 -11.340 1.00 31.21 N ATOM 1258 CA PHE A 89 7.962 5.943 -12.070 1.00 50.54 C ATOM 1259 C PHE A 89 8.083 7.425 -11.725 1.00 71.23 C ATOM 1260 O PHE A 89 9.010 7.839 -11.032 1.00 65.51 O ATOM 1261 CB PHE A 89 6.549 5.448 -11.753 1.00 4.01 C ATOM 1262 CG PHE A 89 6.330 4.002 -12.097 1.00 61.20 C ATOM 1263 CD1 PHE A 89 6.184 3.606 -13.417 1.00 51.32 C ATOM 1264 CD2 PHE A 89 6.272 3.040 -11.103 1.00 2.51 C ATOM 1265 CE1 PHE A 89 5.980 2.277 -13.737 1.00 5.34 C ATOM 1266 CE2 PHE A 89 6.069 1.710 -11.416 1.00 13.05 C ATOM 1267 CZ PHE A 89 5.924 1.327 -12.735 1.00 63.01 C ATOM 0 H PHE A 89 8.656 4.873 -10.406 1.00 31.21 H new ATOM 0 HA PHE A 89 8.152 5.819 -13.136 1.00 50.54 H new ATOM 0 HB2 PHE A 89 6.351 5.595 -10.691 1.00 4.01 H new ATOM 0 HB3 PHE A 89 5.828 6.057 -12.299 1.00 4.01 H new ATOM 0 HD1 PHE A 89 6.230 4.344 -14.204 1.00 51.32 H new ATOM 0 HD2 PHE A 89 6.387 3.333 -10.070 1.00 2.51 H new ATOM 0 HE1 PHE A 89 5.864 1.981 -14.769 1.00 5.34 H new ATOM 0 HE2 PHE A 89 6.024 0.970 -10.630 1.00 13.05 H new ATOM 0 HZ PHE A 89 5.767 0.288 -12.983 1.00 63.01 H new ATOM 1276 N GLY A 90 7.137 8.220 -12.216 1.00 74.02 N ATOM 1277 CA GLY A 90 7.155 9.646 -11.950 1.00 51.53 C ATOM 1278 C GLY A 90 6.937 9.966 -10.485 1.00 62.00 C ATOM 1279 O GLY A 90 7.877 10.322 -9.774 1.00 43.32 O ATOM 0 H GLY A 90 6.359 7.902 -12.793 1.00 74.02 H new ATOM 0 HA2 GLY A 90 8.111 10.060 -12.271 1.00 51.53 H new ATOM 0 HA3 GLY A 90 6.381 10.133 -12.544 1.00 51.53 H new ATOM 1283 N SER A 91 5.694 9.839 -10.031 1.00 22.10 N ATOM 1284 CA SER A 91 5.356 10.123 -8.641 1.00 70.01 C ATOM 1285 C SER A 91 4.454 9.034 -8.068 1.00 34.40 C ATOM 1286 O SER A 91 4.162 8.039 -8.734 1.00 62.45 O ATOM 1287 CB SER A 91 4.664 11.483 -8.530 1.00 4.11 C ATOM 1288 OG SER A 91 5.247 12.425 -9.413 1.00 72.42 O ATOM 0 H SER A 91 4.905 9.542 -10.605 1.00 22.10 H new ATOM 0 HA SER A 91 6.281 10.145 -8.065 1.00 70.01 H new ATOM 0 HB2 SER A 91 3.603 11.375 -8.757 1.00 4.11 H new ATOM 0 HB3 SER A 91 4.735 11.848 -7.505 1.00 4.11 H new ATOM 0 HG SER A 91 4.786 13.285 -9.324 1.00 72.42 H new ATOM 1293 N LEU A 92 4.016 9.227 -6.830 1.00 11.42 N ATOM 1294 CA LEU A 92 3.146 8.262 -6.165 1.00 23.42 C ATOM 1295 C LEU A 92 1.939 7.929 -7.035 1.00 12.23 C ATOM 1296 O LEU A 92 1.470 6.791 -7.053 1.00 20.03 O ATOM 1297 CB LEU A 92 2.682 8.810 -4.815 1.00 11.42 C ATOM 1298 CG LEU A 92 3.586 8.504 -3.620 1.00 50.24 C ATOM 1299 CD1 LEU A 92 3.040 9.156 -2.358 1.00 0.04 C ATOM 1300 CD2 LEU A 92 3.726 7.001 -3.427 1.00 73.51 C ATOM 0 H LEU A 92 4.249 10.044 -6.265 1.00 11.42 H new ATOM 0 HA LEU A 92 3.716 7.347 -6.001 1.00 23.42 H new ATOM 0 HB2 LEU A 92 2.580 9.892 -4.900 1.00 11.42 H new ATOM 0 HB3 LEU A 92 1.689 8.412 -4.606 1.00 11.42 H new ATOM 0 HG LEU A 92 4.574 8.918 -3.821 1.00 50.24 H new ATOM 0 HD11 LEU A 92 3.696 8.928 -1.518 1.00 0.04 H new ATOM 0 HD12 LEU A 92 2.992 10.236 -2.498 1.00 0.04 H new ATOM 0 HD13 LEU A 92 2.041 8.772 -2.153 1.00 0.04 H new ATOM 0 HD21 LEU A 92 4.373 6.803 -2.572 1.00 73.51 H new ATOM 0 HD22 LEU A 92 2.744 6.564 -3.248 1.00 73.51 H new ATOM 0 HD23 LEU A 92 4.162 6.558 -4.322 1.00 73.51 H new ATOM 1311 N SER A 93 1.442 8.928 -7.756 1.00 71.11 N ATOM 1312 CA SER A 93 0.287 8.741 -8.627 1.00 71.31 C ATOM 1313 C SER A 93 0.652 7.884 -9.836 1.00 13.24 C ATOM 1314 O SER A 93 -0.164 7.102 -10.326 1.00 42.43 O ATOM 1315 CB SER A 93 -0.252 10.095 -9.093 1.00 3.15 C ATOM 1316 OG SER A 93 -1.449 10.428 -8.412 1.00 55.04 O ATOM 0 H SER A 93 1.820 9.875 -7.755 1.00 71.11 H new ATOM 0 HA SER A 93 -0.487 8.226 -8.057 1.00 71.31 H new ATOM 0 HB2 SER A 93 0.497 10.868 -8.918 1.00 3.15 H new ATOM 0 HB3 SER A 93 -0.436 10.067 -10.167 1.00 3.15 H new ATOM 0 HG SER A 93 -1.773 11.298 -8.726 1.00 55.04 H new ATOM 1321 N ALA A 94 1.883 8.035 -10.312 1.00 40.41 N ATOM 1322 CA ALA A 94 2.357 7.274 -11.461 1.00 21.22 C ATOM 1323 C ALA A 94 2.470 5.790 -11.128 1.00 4.21 C ATOM 1324 O ALA A 94 2.041 4.935 -11.903 1.00 41.00 O ATOM 1325 CB ALA A 94 3.699 7.815 -11.934 1.00 13.54 C ATOM 0 H ALA A 94 2.571 8.678 -9.919 1.00 40.41 H new ATOM 0 HA ALA A 94 1.629 7.384 -12.265 1.00 21.22 H new ATOM 0 HB1 ALA A 94 4.042 7.238 -12.793 1.00 13.54 H new ATOM 0 HB2 ALA A 94 3.589 8.861 -12.220 1.00 13.54 H new ATOM 0 HB3 ALA A 94 4.428 7.734 -11.128 1.00 13.54 H new ATOM 1331 N LEU A 95 3.051 5.491 -9.971 1.00 30.14 N ATOM 1332 CA LEU A 95 3.221 4.109 -9.535 1.00 40.04 C ATOM 1333 C LEU A 95 1.885 3.501 -9.120 1.00 30.13 C ATOM 1334 O LEU A 95 1.659 2.302 -9.286 1.00 43.41 O ATOM 1335 CB LEU A 95 4.210 4.039 -8.371 1.00 60.51 C ATOM 1336 CG LEU A 95 3.937 4.982 -7.200 1.00 41.14 C ATOM 1337 CD1 LEU A 95 2.979 4.340 -6.209 1.00 23.21 C ATOM 1338 CD2 LEU A 95 5.238 5.370 -6.512 1.00 22.43 C ATOM 0 H LEU A 95 3.412 6.187 -9.318 1.00 30.14 H new ATOM 0 HA LEU A 95 3.615 3.535 -10.373 1.00 40.04 H new ATOM 0 HB2 LEU A 95 4.223 3.017 -7.993 1.00 60.51 H new ATOM 0 HB3 LEU A 95 5.208 4.249 -8.756 1.00 60.51 H new ATOM 0 HG LEU A 95 3.471 5.887 -7.589 1.00 41.14 H new ATOM 0 HD11 LEU A 95 2.797 5.027 -5.382 1.00 23.21 H new ATOM 0 HD12 LEU A 95 2.037 4.114 -6.708 1.00 23.21 H new ATOM 0 HD13 LEU A 95 3.416 3.418 -5.825 1.00 23.21 H new ATOM 0 HD21 LEU A 95 5.024 6.042 -5.681 1.00 22.43 H new ATOM 0 HD22 LEU A 95 5.732 4.474 -6.136 1.00 22.43 H new ATOM 0 HD23 LEU A 95 5.891 5.873 -7.225 1.00 22.43 H new ATOM 1349 N VAL A 96 1.003 4.336 -8.581 1.00 3.12 N ATOM 1350 CA VAL A 96 -0.312 3.881 -8.145 1.00 2.13 C ATOM 1351 C VAL A 96 -1.188 3.509 -9.336 1.00 44.32 C ATOM 1352 O VAL A 96 -1.898 2.504 -9.308 1.00 31.14 O ATOM 1353 CB VAL A 96 -1.030 4.958 -7.310 1.00 61.53 C ATOM 1354 CG1 VAL A 96 -2.528 4.699 -7.278 1.00 3.33 C ATOM 1355 CG2 VAL A 96 -0.459 5.009 -5.901 1.00 34.33 C ATOM 0 H VAL A 96 1.175 5.331 -8.436 1.00 3.12 H new ATOM 0 HA VAL A 96 -0.152 2.998 -7.526 1.00 2.13 H new ATOM 0 HB VAL A 96 -0.863 5.927 -7.780 1.00 61.53 H new ATOM 0 HG11 VAL A 96 -3.018 5.470 -6.683 1.00 3.33 H new ATOM 0 HG12 VAL A 96 -2.922 4.719 -8.294 1.00 3.33 H new ATOM 0 HG13 VAL A 96 -2.719 3.722 -6.834 1.00 3.33 H new ATOM 0 HG21 VAL A 96 -0.978 5.775 -5.326 1.00 34.33 H new ATOM 0 HG22 VAL A 96 -0.593 4.041 -5.419 1.00 34.33 H new ATOM 0 HG23 VAL A 96 0.604 5.248 -5.947 1.00 34.33 H new ATOM 1365 N SER A 97 -1.133 4.327 -10.382 1.00 55.35 N ATOM 1366 CA SER A 97 -1.924 4.086 -11.583 1.00 15.21 C ATOM 1367 C SER A 97 -1.368 2.904 -12.371 1.00 73.23 C ATOM 1368 O SER A 97 -2.122 2.109 -12.933 1.00 40.54 O ATOM 1369 CB SER A 97 -1.946 5.336 -12.464 1.00 54.23 C ATOM 1370 OG SER A 97 -2.498 6.441 -11.768 1.00 73.43 O ATOM 0 H SER A 97 -0.549 5.162 -10.422 1.00 55.35 H new ATOM 0 HA SER A 97 -2.943 3.849 -11.276 1.00 15.21 H new ATOM 0 HB2 SER A 97 -0.933 5.575 -12.787 1.00 54.23 H new ATOM 0 HB3 SER A 97 -2.530 5.140 -13.364 1.00 54.23 H new ATOM 0 HG SER A 97 -1.817 6.832 -11.182 1.00 73.43 H new ATOM 1375 N GLN A 98 -0.045 2.796 -12.409 1.00 22.55 N ATOM 1376 CA GLN A 98 0.613 1.711 -13.129 1.00 40.12 C ATOM 1377 C GLN A 98 0.432 0.384 -12.399 1.00 44.23 C ATOM 1378 O GLN A 98 0.391 -0.677 -13.022 1.00 4.54 O ATOM 1379 CB GLN A 98 2.103 2.014 -13.299 1.00 51.25 C ATOM 1380 CG GLN A 98 2.395 3.043 -14.380 1.00 44.42 C ATOM 1381 CD GLN A 98 2.826 2.410 -15.688 1.00 12.50 C ATOM 1382 OE1 GLN A 98 2.330 1.349 -16.069 1.00 73.41 O ATOM 1383 NE2 GLN A 98 3.752 3.059 -16.383 1.00 74.42 N ATOM 0 H GLN A 98 0.593 3.446 -11.950 1.00 22.55 H new ATOM 0 HA GLN A 98 0.151 1.629 -14.113 1.00 40.12 H new ATOM 0 HB2 GLN A 98 2.503 2.372 -12.350 1.00 51.25 H new ATOM 0 HB3 GLN A 98 2.628 1.089 -13.538 1.00 51.25 H new ATOM 0 HG2 GLN A 98 1.505 3.648 -14.550 1.00 44.42 H new ATOM 0 HG3 GLN A 98 3.177 3.718 -14.032 1.00 44.42 H new ATOM 0 HE21 GLN A 98 4.135 3.935 -16.028 1.00 74.42 H new ATOM 0 HE22 GLN A 98 4.081 2.681 -17.272 1.00 74.42 H new ATOM 1390 N HIS A 99 0.325 0.453 -11.075 1.00 31.40 N ATOM 1391 CA HIS A 99 0.149 -0.744 -10.261 1.00 12.51 C ATOM 1392 C HIS A 99 -1.278 -1.274 -10.375 1.00 42.53 C ATOM 1393 O HIS A 99 -1.585 -2.366 -9.899 1.00 20.51 O ATOM 1394 CB HIS A 99 0.477 -0.444 -8.798 1.00 40.51 C ATOM 1395 CG HIS A 99 1.903 -0.723 -8.435 1.00 45.23 C ATOM 1396 ND1 HIS A 99 2.289 -1.171 -7.189 1.00 75.33 N ATOM 1397 CD2 HIS A 99 3.039 -0.615 -9.163 1.00 13.11 C ATOM 1398 CE1 HIS A 99 3.601 -1.326 -7.166 1.00 53.03 C ATOM 1399 NE2 HIS A 99 4.080 -0.997 -8.352 1.00 44.01 N ATOM 0 H HIS A 99 0.357 1.324 -10.545 1.00 31.40 H new ATOM 0 HA HIS A 99 0.833 -1.508 -10.630 1.00 12.51 H new ATOM 0 HB2 HIS A 99 0.256 0.603 -8.592 1.00 40.51 H new ATOM 0 HB3 HIS A 99 -0.175 -1.039 -8.159 1.00 40.51 H new ATOM 0 HD2 HIS A 99 3.113 -0.289 -10.190 1.00 13.11 H new ATOM 0 HE1 HIS A 99 4.183 -1.664 -6.321 1.00 53.03 H new ATOM 0 HE2 HIS A 99 5.063 -1.022 -8.622 1.00 44.01 H new ATOM 1406 N SER A 100 -2.145 -0.491 -11.010 1.00 4.10 N ATOM 1407 CA SER A 100 -3.540 -0.880 -11.183 1.00 63.35 C ATOM 1408 C SER A 100 -3.755 -1.544 -12.539 1.00 64.34 C ATOM 1409 O SER A 100 -4.854 -2.002 -12.851 1.00 34.42 O ATOM 1410 CB SER A 100 -4.452 0.342 -11.051 1.00 22.14 C ATOM 1411 OG SER A 100 -4.904 0.781 -12.320 1.00 4.52 O ATOM 0 H SER A 100 -1.906 0.415 -11.413 1.00 4.10 H new ATOM 0 HA SER A 100 -3.790 -1.598 -10.402 1.00 63.35 H new ATOM 0 HB2 SER A 100 -5.308 0.095 -10.422 1.00 22.14 H new ATOM 0 HB3 SER A 100 -3.914 1.149 -10.554 1.00 22.14 H new ATOM 0 HG SER A 100 -4.184 1.267 -12.773 1.00 4.52 H new ATOM 1416 N ILE A 101 -2.697 -1.590 -13.342 1.00 75.43 N ATOM 1417 CA ILE A 101 -2.768 -2.199 -14.665 1.00 4.41 C ATOM 1418 C ILE A 101 -1.655 -3.222 -14.860 1.00 31.21 C ATOM 1419 O ILE A 101 -1.852 -4.253 -15.504 1.00 4.12 O ATOM 1420 CB ILE A 101 -2.676 -1.138 -15.778 1.00 21.33 C ATOM 1421 CG1 ILE A 101 -3.798 -0.109 -15.625 1.00 64.53 C ATOM 1422 CG2 ILE A 101 -2.740 -1.800 -17.146 1.00 53.15 C ATOM 1423 CD1 ILE A 101 -3.307 1.323 -15.624 1.00 43.10 C ATOM 0 H ILE A 101 -1.781 -1.213 -13.100 1.00 75.43 H new ATOM 0 HA ILE A 101 -3.734 -2.700 -14.730 1.00 4.41 H new ATOM 0 HB ILE A 101 -1.720 -0.621 -15.690 1.00 21.33 H new ATOM 0 HG12 ILE A 101 -4.513 -0.239 -16.437 1.00 64.53 H new ATOM 0 HG13 ILE A 101 -4.333 -0.302 -14.695 1.00 64.53 H new ATOM 0 HG21 ILE A 101 -2.674 -1.038 -17.922 1.00 53.15 H new ATOM 0 HG22 ILE A 101 -1.910 -2.498 -17.251 1.00 53.15 H new ATOM 0 HG23 ILE A 101 -3.682 -2.339 -17.246 1.00 53.15 H new ATOM 0 HD11 ILE A 101 -4.155 1.998 -15.512 1.00 43.10 H new ATOM 0 HD12 ILE A 101 -2.615 1.470 -14.795 1.00 43.10 H new ATOM 0 HD13 ILE A 101 -2.797 1.534 -16.564 1.00 43.10 H new ATOM 1434 N SER A 102 -0.486 -2.932 -14.298 1.00 54.14 N ATOM 1435 CA SER A 102 0.661 -3.826 -14.412 1.00 13.43 C ATOM 1436 C SER A 102 1.331 -4.024 -13.057 1.00 2.23 C ATOM 1437 O SER A 102 2.375 -3.442 -12.762 1.00 22.44 O ATOM 1438 CB SER A 102 1.670 -3.270 -15.418 1.00 52.21 C ATOM 1439 OG SER A 102 1.197 -3.410 -16.747 1.00 24.14 O ATOM 0 H SER A 102 -0.308 -2.085 -13.759 1.00 54.14 H new ATOM 0 HA SER A 102 0.304 -4.793 -14.765 1.00 13.43 H new ATOM 0 HB2 SER A 102 1.858 -2.218 -15.205 1.00 52.21 H new ATOM 0 HB3 SER A 102 2.621 -3.792 -15.310 1.00 52.21 H new ATOM 0 HG SER A 102 1.860 -3.045 -17.370 1.00 24.14 H new ATOM 1444 N PRO A 103 0.718 -4.865 -12.211 1.00 52.10 N ATOM 1445 CA PRO A 103 1.238 -5.160 -10.873 1.00 2.44 C ATOM 1446 C PRO A 103 2.520 -5.984 -10.917 1.00 63.30 C ATOM 1447 O PRO A 103 2.593 -6.997 -11.613 1.00 31.32 O ATOM 1448 CB PRO A 103 0.108 -5.963 -10.222 1.00 30.34 C ATOM 1449 CG PRO A 103 -0.624 -6.578 -11.364 1.00 75.05 C ATOM 1450 CD PRO A 103 -0.529 -5.593 -12.496 1.00 54.33 C ATOM 0 HA PRO A 103 1.503 -4.253 -10.330 1.00 2.44 H new ATOM 0 HB2 PRO A 103 0.500 -6.724 -9.547 1.00 30.34 H new ATOM 0 HB3 PRO A 103 -0.546 -5.320 -9.632 1.00 30.34 H new ATOM 0 HG2 PRO A 103 -0.181 -7.535 -11.641 1.00 75.05 H new ATOM 0 HG3 PRO A 103 -1.664 -6.772 -11.102 1.00 75.05 H new ATOM 0 HD2 PRO A 103 -0.489 -6.095 -13.463 1.00 54.33 H new ATOM 0 HD3 PRO A 103 -1.389 -4.923 -12.519 1.00 54.33 H new ATOM 1455 N ILE A 104 3.528 -5.543 -10.171 1.00 74.41 N ATOM 1456 CA ILE A 104 4.806 -6.243 -10.126 1.00 5.42 C ATOM 1457 C ILE A 104 5.004 -6.940 -8.784 1.00 14.43 C ATOM 1458 O ILE A 104 4.926 -8.166 -8.693 1.00 52.22 O ATOM 1459 CB ILE A 104 5.983 -5.278 -10.368 1.00 34.43 C ATOM 1460 CG1 ILE A 104 5.835 -4.590 -11.727 1.00 21.34 C ATOM 1461 CG2 ILE A 104 7.306 -6.028 -10.288 1.00 52.44 C ATOM 1462 CD1 ILE A 104 6.829 -3.472 -11.948 1.00 32.40 C ATOM 0 H ILE A 104 3.484 -4.705 -9.590 1.00 74.41 H new ATOM 0 HA ILE A 104 4.787 -6.989 -10.921 1.00 5.42 H new ATOM 0 HB ILE A 104 5.973 -4.513 -9.592 1.00 34.43 H new ATOM 0 HG12 ILE A 104 5.954 -5.332 -12.516 1.00 21.34 H new ATOM 0 HG13 ILE A 104 4.825 -4.190 -11.815 1.00 21.34 H new ATOM 0 HG21 ILE A 104 8.129 -5.334 -10.461 1.00 52.44 H new ATOM 0 HG22 ILE A 104 7.411 -6.476 -9.300 1.00 52.44 H new ATOM 0 HG23 ILE A 104 7.327 -6.811 -11.046 1.00 52.44 H new ATOM 0 HD11 ILE A 104 6.666 -3.030 -12.931 1.00 32.40 H new ATOM 0 HD12 ILE A 104 6.696 -2.710 -11.180 1.00 32.40 H new ATOM 0 HD13 ILE A 104 7.842 -3.870 -11.892 1.00 32.40 H new ATOM 1473 N SER A 105 5.257 -6.151 -7.745 1.00 33.23 N ATOM 1474 CA SER A 105 5.468 -6.694 -6.407 1.00 54.32 C ATOM 1475 C SER A 105 4.169 -7.257 -5.839 1.00 13.01 C ATOM 1476 O SER A 105 4.183 -8.179 -5.022 1.00 31.11 O ATOM 1477 CB SER A 105 6.018 -5.613 -5.476 1.00 40.54 C ATOM 1478 OG SER A 105 4.980 -4.774 -4.998 1.00 31.13 O ATOM 0 H SER A 105 5.321 -5.135 -7.803 1.00 33.23 H new ATOM 0 HA SER A 105 6.194 -7.504 -6.480 1.00 54.32 H new ATOM 0 HB2 SER A 105 6.529 -6.080 -4.634 1.00 40.54 H new ATOM 0 HB3 SER A 105 6.758 -5.014 -6.006 1.00 40.54 H new ATOM 0 HG SER A 105 5.358 -4.092 -4.404 1.00 31.13 H new ATOM 1483 N LEU A 106 3.047 -6.697 -6.277 1.00 42.31 N ATOM 1484 CA LEU A 106 1.737 -7.141 -5.813 1.00 33.34 C ATOM 1485 C LEU A 106 1.219 -8.295 -6.667 1.00 70.43 C ATOM 1486 O LEU A 106 1.586 -8.449 -7.832 1.00 60.22 O ATOM 1487 CB LEU A 106 0.742 -5.981 -5.845 1.00 55.31 C ATOM 1488 CG LEU A 106 1.315 -4.596 -5.545 1.00 61.30 C ATOM 1489 CD1 LEU A 106 0.280 -3.518 -5.825 1.00 40.12 C ATOM 1490 CD2 LEU A 106 1.794 -4.518 -4.103 1.00 43.22 C ATOM 0 H LEU A 106 3.018 -5.934 -6.953 1.00 42.31 H new ATOM 0 HA LEU A 106 1.843 -7.492 -4.786 1.00 33.34 H new ATOM 0 HB2 LEU A 106 0.278 -5.954 -6.831 1.00 55.31 H new ATOM 0 HB3 LEU A 106 -0.050 -6.188 -5.125 1.00 55.31 H new ATOM 0 HG LEU A 106 2.170 -4.428 -6.200 1.00 61.30 H new ATOM 0 HD11 LEU A 106 0.706 -2.539 -5.606 1.00 40.12 H new ATOM 0 HD12 LEU A 106 -0.014 -3.559 -6.874 1.00 40.12 H new ATOM 0 HD13 LEU A 106 -0.595 -3.682 -5.196 1.00 40.12 H new ATOM 0 HD21 LEU A 106 2.199 -3.525 -3.907 1.00 43.22 H new ATOM 0 HD22 LEU A 106 0.957 -4.708 -3.431 1.00 43.22 H new ATOM 0 HD23 LEU A 106 2.570 -5.265 -3.936 1.00 43.22 H new ATOM 1501 N PRO A 107 0.345 -9.123 -6.077 1.00 73.40 N ATOM 1502 CA PRO A 107 -0.245 -10.275 -6.767 1.00 64.52 C ATOM 1503 C PRO A 107 -1.225 -9.858 -7.857 1.00 42.31 C ATOM 1504 O PRO A 107 -1.250 -10.444 -8.940 1.00 53.23 O ATOM 1505 CB PRO A 107 -0.974 -11.023 -5.648 1.00 61.34 C ATOM 1506 CG PRO A 107 -1.274 -9.980 -4.629 1.00 45.43 C ATOM 1507 CD PRO A 107 -0.136 -8.999 -4.691 1.00 61.22 C ATOM 0 HA PRO A 107 0.509 -10.874 -7.278 1.00 64.52 H new ATOM 0 HB2 PRO A 107 -1.887 -11.492 -6.015 1.00 61.34 H new ATOM 0 HB3 PRO A 107 -0.353 -11.816 -5.232 1.00 61.34 H new ATOM 0 HG2 PRO A 107 -2.224 -9.489 -4.841 1.00 45.43 H new ATOM 0 HG3 PRO A 107 -1.357 -10.419 -3.635 1.00 45.43 H new ATOM 0 HD2 PRO A 107 -0.467 -7.984 -4.470 1.00 61.22 H new ATOM 0 HD3 PRO A 107 0.645 -9.243 -3.971 1.00 61.22 H new ATOM 1512 N CYS A 108 -2.031 -8.843 -7.564 1.00 70.34 N ATOM 1513 CA CYS A 108 -3.015 -8.347 -8.521 1.00 2.41 C ATOM 1514 C CYS A 108 -3.052 -6.823 -8.522 1.00 52.12 C ATOM 1515 O CYS A 108 -2.645 -6.181 -7.553 1.00 11.41 O ATOM 1516 CB CYS A 108 -4.401 -8.903 -8.191 1.00 32.43 C ATOM 1517 SG CYS A 108 -5.209 -9.739 -9.577 1.00 2.44 S ATOM 0 H CYS A 108 -2.023 -8.348 -6.672 1.00 70.34 H new ATOM 0 HA CYS A 108 -2.722 -8.685 -9.515 1.00 2.41 H new ATOM 0 HB2 CYS A 108 -4.312 -9.603 -7.360 1.00 32.43 H new ATOM 0 HB3 CYS A 108 -5.038 -8.086 -7.852 1.00 32.43 H new ATOM 0 HG CYS A 108 -6.374 -10.177 -9.200 1.00 2.44 H new ATOM 1522 N CYS A 109 -3.540 -6.249 -9.616 1.00 34.30 N ATOM 1523 CA CYS A 109 -3.628 -4.799 -9.745 1.00 23.00 C ATOM 1524 C CYS A 109 -4.342 -4.189 -8.544 1.00 3.31 C ATOM 1525 O CYS A 109 -5.251 -4.794 -7.975 1.00 52.34 O ATOM 1526 CB CYS A 109 -4.361 -4.424 -11.033 1.00 73.33 C ATOM 1527 SG CYS A 109 -5.938 -5.279 -11.262 1.00 51.51 S ATOM 0 H CYS A 109 -3.881 -6.766 -10.427 1.00 34.30 H new ATOM 0 HA CYS A 109 -2.614 -4.401 -9.783 1.00 23.00 H new ATOM 0 HB2 CYS A 109 -4.539 -3.349 -11.037 1.00 73.33 H new ATOM 0 HB3 CYS A 109 -3.715 -4.643 -11.883 1.00 73.33 H new ATOM 0 HG CYS A 109 -6.483 -4.893 -12.378 1.00 51.51 H new ATOM 1532 N LEU A 110 -3.922 -2.987 -8.161 1.00 54.30 N ATOM 1533 CA LEU A 110 -4.521 -2.294 -7.025 1.00 12.34 C ATOM 1534 C LEU A 110 -5.805 -1.580 -7.436 1.00 71.21 C ATOM 1535 O LEU A 110 -5.919 -1.088 -8.560 1.00 4.24 O ATOM 1536 CB LEU A 110 -3.531 -1.289 -6.437 1.00 4.52 C ATOM 1537 CG LEU A 110 -3.569 0.119 -7.033 1.00 2.21 C ATOM 1538 CD1 LEU A 110 -4.552 0.995 -6.271 1.00 31.50 C ATOM 1539 CD2 LEU A 110 -2.180 0.740 -7.024 1.00 1.33 C ATOM 0 H LEU A 110 -3.170 -2.473 -8.620 1.00 54.30 H new ATOM 0 HA LEU A 110 -4.768 -3.037 -6.267 1.00 12.34 H new ATOM 0 HB2 LEU A 110 -3.715 -1.213 -5.365 1.00 4.52 H new ATOM 0 HB3 LEU A 110 -2.524 -1.687 -6.560 1.00 4.52 H new ATOM 0 HG LEU A 110 -3.905 0.046 -8.067 1.00 2.21 H new ATOM 0 HD11 LEU A 110 -4.565 1.993 -6.709 1.00 31.50 H new ATOM 0 HD12 LEU A 110 -5.549 0.559 -6.330 1.00 31.50 H new ATOM 0 HD13 LEU A 110 -4.246 1.061 -5.227 1.00 31.50 H new ATOM 0 HD21 LEU A 110 -2.226 1.742 -7.452 1.00 1.33 H new ATOM 0 HD22 LEU A 110 -1.815 0.800 -5.999 1.00 1.33 H new ATOM 0 HD23 LEU A 110 -1.502 0.124 -7.615 1.00 1.33 H new ATOM 1550 N ARG A 111 -6.765 -1.527 -6.521 1.00 54.52 N ATOM 1551 CA ARG A 111 -8.041 -0.872 -6.789 1.00 40.15 C ATOM 1552 C ARG A 111 -7.947 0.628 -6.523 1.00 35.12 C ATOM 1553 O ARG A 111 -7.532 1.052 -5.445 1.00 4.51 O ATOM 1554 CB ARG A 111 -9.145 -1.486 -5.926 1.00 52.11 C ATOM 1555 CG ARG A 111 -10.361 -1.934 -6.721 1.00 41.12 C ATOM 1556 CD ARG A 111 -10.000 -3.013 -7.730 1.00 32.31 C ATOM 1557 NE ARG A 111 -10.624 -4.294 -7.409 1.00 3.40 N ATOM 1558 CZ ARG A 111 -10.327 -5.432 -8.025 1.00 70.13 C ATOM 1559 NH1 ARG A 111 -9.419 -5.448 -8.991 1.00 71.31 N ATOM 1560 NH2 ARG A 111 -10.939 -6.556 -7.677 1.00 22.22 N ATOM 0 H ARG A 111 -6.685 -1.929 -5.587 1.00 54.52 H new ATOM 0 HA ARG A 111 -8.286 -1.023 -7.840 1.00 40.15 H new ATOM 0 HB2 ARG A 111 -8.739 -2.341 -5.386 1.00 52.11 H new ATOM 0 HB3 ARG A 111 -9.458 -0.757 -5.179 1.00 52.11 H new ATOM 0 HG2 ARG A 111 -11.123 -2.312 -6.040 1.00 41.12 H new ATOM 0 HG3 ARG A 111 -10.793 -1.079 -7.240 1.00 41.12 H new ATOM 0 HD2 ARG A 111 -10.312 -2.697 -8.726 1.00 32.31 H new ATOM 0 HD3 ARG A 111 -8.917 -3.134 -7.759 1.00 32.31 H new ATOM 0 HE ARG A 111 -11.327 -4.315 -6.670 1.00 3.40 H new ATOM 0 HH11 ARG A 111 -8.947 -4.585 -9.262 1.00 71.31 H new ATOM 0 HH12 ARG A 111 -9.192 -6.323 -9.463 1.00 71.31 H new ATOM 0 HH21 ARG A 111 -11.639 -6.547 -6.935 1.00 22.22 H new ATOM 0 HH22 ARG A 111 -10.710 -7.429 -8.151 1.00 22.22 H new