USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc=-0.00902 (180deg=-0.696) USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= -3.33! (180deg=-5.08!) USER MOD Single : A 4 GLN : amide:sc= -2.92 X(o=-2.9,f=-3.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0232 (180deg=-0.294) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.126 X(o=-0.13,f=0.05!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -0.313 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.844 (180deg=-2.4!) USER MOD Single : A 43 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.039) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 88:sc= 0.226 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0216 (180deg=-0.318) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -1.46 F(o=-2.7!,f=-1.5) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 67 SER OG : rot 98:sc= 1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 76 THR OG1 : rot -47:sc= -1.05! USER MOD Single : A 78 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ -142:sc= -5.92! (180deg=-6.47!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -2.21! C(o=-5.4!,f=-2.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 121:sc= 1.16 USER MOD Single : A 93 ASN :FLIP amide:sc= -2.18 F(o=-4.4,f=-2.2) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= -0.135! (180deg=-0.824!) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.182 (180deg=-1.09) USER MOD Single : A 100 THR OG1 : rot -139:sc= -0.507 USER MOD Single : A 102 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.2!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 4:sc= -2.36 USER MOD Single : B 11 SER OG : rot -36:sc= 0.668 USER MOD Single : B 12 HIS : no HD1:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.395 -2.673 7.658 1.00 0.73 N ATOM 2 CA MET A 1 -6.375 -2.302 8.680 1.00 0.31 C ATOM 3 C MET A 1 -5.000 -2.203 8.014 1.00 0.24 C ATOM 4 O MET A 1 -4.858 -2.424 6.828 1.00 0.21 O ATOM 5 CB MET A 1 -6.341 -3.372 9.775 1.00 0.70 C ATOM 6 CG MET A 1 -7.643 -3.320 10.579 1.00 1.55 C ATOM 7 SD MET A 1 -7.812 -4.834 11.555 1.00 2.25 S ATOM 8 CE MET A 1 -9.462 -4.494 12.213 1.00 2.89 C ATOM 0 H1 MET A 1 -8.118 -1.928 7.603 1.00 0.73 H new ATOM 0 H2 MET A 1 -6.935 -2.778 6.731 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.844 -3.572 7.926 1.00 0.73 H new ATOM 0 HA MET A 1 -6.632 -1.339 9.122 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.215 -4.359 9.330 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.488 -3.207 10.433 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.643 -2.450 11.235 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.494 -3.212 9.906 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.773 -5.316 12.857 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.440 -3.569 12.790 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.168 -4.391 11.389 1.00 2.89 H new ATOM 20 N VAL A 2 -3.985 -1.867 8.766 1.00 0.24 N ATOM 21 CA VAL A 2 -2.615 -1.746 8.179 1.00 0.19 C ATOM 22 C VAL A 2 -1.852 -3.062 8.370 1.00 0.22 C ATOM 23 O VAL A 2 -2.179 -3.865 9.222 1.00 0.28 O ATOM 24 CB VAL A 2 -1.861 -0.614 8.885 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.408 -0.585 8.405 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.528 0.727 8.564 1.00 0.30 C ATOM 0 H VAL A 2 -4.045 -1.670 9.765 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.695 -1.528 7.114 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.885 -0.784 9.961 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.126 0.221 8.909 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.070 -1.537 8.636 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.384 -0.419 7.328 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.990 1.531 9.067 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.507 0.895 7.487 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.562 0.711 8.909 1.00 0.30 H new ATOM 36 N LYS A 3 -0.827 -3.281 7.588 1.00 0.18 N ATOM 37 CA LYS A 3 -0.025 -4.536 7.721 1.00 0.22 C ATOM 38 C LYS A 3 1.392 -4.277 7.211 1.00 0.16 C ATOM 39 O LYS A 3 1.588 -3.790 6.116 1.00 0.13 O ATOM 40 CB LYS A 3 -0.657 -5.665 6.896 1.00 0.26 C ATOM 41 CG LYS A 3 -0.029 -7.001 7.303 1.00 0.34 C ATOM 42 CD LYS A 3 -0.764 -8.147 6.603 1.00 0.81 C ATOM 43 CE LYS A 3 0.043 -9.438 6.753 1.00 1.37 C ATOM 44 NZ LYS A 3 1.288 -9.344 5.939 1.00 1.97 N ATOM 0 H LYS A 3 -0.509 -2.642 6.859 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.002 -4.834 8.769 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.734 -5.691 7.060 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.500 -5.485 5.832 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.027 -7.015 7.034 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.085 -7.126 8.384 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.757 -8.274 7.035 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.903 -7.913 5.548 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.293 -9.603 7.801 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.553 -10.291 6.429 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.347 -10.162 5.300 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.271 -8.468 5.379 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 2.115 -9.337 6.569 1.00 1.97 H new ATOM 58 N GLN A 4 2.384 -4.593 7.999 1.00 0.18 N ATOM 59 CA GLN A 4 3.792 -4.359 7.563 1.00 0.15 C ATOM 60 C GLN A 4 4.296 -5.575 6.780 1.00 0.13 C ATOM 61 O GLN A 4 4.167 -6.705 7.209 1.00 0.14 O ATOM 62 CB GLN A 4 4.676 -4.134 8.796 1.00 0.20 C ATOM 63 CG GLN A 4 6.157 -4.174 8.394 1.00 0.21 C ATOM 64 CD GLN A 4 7.008 -3.513 9.482 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.908 -3.858 10.643 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.848 -2.569 9.152 1.00 0.98 N ATOM 0 H GLN A 4 2.281 -5.004 8.927 1.00 0.18 H new ATOM 0 HA GLN A 4 3.834 -3.478 6.922 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.440 -3.173 9.252 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.473 -4.900 9.544 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.476 -5.206 8.247 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.300 -3.658 7.444 1.00 0.21 H new ATOM 0 HE21 GLN A 4 7.932 -2.279 8.178 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.420 -2.122 9.869 1.00 0.98 H new ATOM 75 N ILE A 5 4.875 -5.337 5.632 1.00 0.10 N ATOM 76 CA ILE A 5 5.412 -6.446 4.785 1.00 0.10 C ATOM 77 C ILE A 5 6.934 -6.305 4.700 1.00 0.10 C ATOM 78 O ILE A 5 7.457 -5.707 3.781 1.00 0.11 O ATOM 79 CB ILE A 5 4.828 -6.333 3.373 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.299 -6.118 3.426 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.164 -7.586 2.558 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.587 -7.277 4.138 1.00 0.19 C ATOM 0 H ILE A 5 5.001 -4.405 5.238 1.00 0.10 H new ATOM 0 HA ILE A 5 5.143 -7.408 5.220 1.00 0.10 H new ATOM 0 HB ILE A 5 5.276 -5.467 2.885 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.081 -5.184 3.943 1.00 0.12 H new ATOM 0 HG13 ILE A 5 2.910 -6.020 2.413 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.743 -7.493 1.557 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.246 -7.695 2.488 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.742 -8.463 3.049 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.513 -7.089 4.155 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.784 -8.207 3.605 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.957 -7.359 5.160 1.00 0.19 H new ATOM 94 N GLU A 6 7.654 -6.843 5.649 1.00 0.11 N ATOM 95 CA GLU A 6 9.145 -6.727 5.616 1.00 0.14 C ATOM 96 C GLU A 6 9.741 -7.976 4.967 1.00 0.14 C ATOM 97 O GLU A 6 10.943 -8.139 4.909 1.00 0.17 O ATOM 98 CB GLU A 6 9.676 -6.608 7.047 1.00 0.18 C ATOM 99 CG GLU A 6 9.467 -5.177 7.563 1.00 0.31 C ATOM 100 CD GLU A 6 9.519 -5.166 9.093 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.605 -5.700 9.701 1.00 1.97 O ATOM 102 OE2 GLU A 6 10.470 -4.623 9.630 1.00 1.96 O ATOM 0 H GLU A 6 7.277 -7.357 6.445 1.00 0.11 H new ATOM 0 HA GLU A 6 9.426 -5.845 5.041 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.161 -7.317 7.696 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.735 -6.863 7.074 1.00 0.18 H new ATOM 0 HG2 GLU A 6 10.236 -4.519 7.159 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.506 -4.793 7.220 1.00 0.31 H new ATOM 109 N SER A 7 8.916 -8.865 4.481 1.00 0.13 N ATOM 110 CA SER A 7 9.451 -10.101 3.842 1.00 0.15 C ATOM 111 C SER A 7 8.485 -10.588 2.762 1.00 0.14 C ATOM 112 O SER A 7 7.282 -10.531 2.918 1.00 0.12 O ATOM 113 CB SER A 7 9.618 -11.187 4.902 1.00 0.20 C ATOM 114 OG SER A 7 8.421 -11.290 5.663 1.00 0.23 O ATOM 0 H SER A 7 7.899 -8.789 4.499 1.00 0.13 H new ATOM 0 HA SER A 7 10.416 -9.881 3.386 1.00 0.15 H new ATOM 0 HB2 SER A 7 9.844 -12.142 4.428 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.458 -10.948 5.555 1.00 0.20 H new ATOM 0 HG SER A 7 8.525 -11.988 6.343 1.00 0.23 H new ATOM 120 N LYS A 8 9.006 -11.071 1.668 1.00 0.15 N ATOM 121 CA LYS A 8 8.124 -11.567 0.576 1.00 0.14 C ATOM 122 C LYS A 8 7.109 -12.559 1.150 1.00 0.14 C ATOM 123 O LYS A 8 6.001 -12.678 0.669 1.00 0.13 O ATOM 124 CB LYS A 8 8.976 -12.268 -0.483 1.00 0.17 C ATOM 125 CG LYS A 8 8.150 -12.476 -1.752 1.00 0.21 C ATOM 126 CD LYS A 8 8.983 -13.233 -2.789 1.00 0.22 C ATOM 127 CE LYS A 8 8.064 -13.772 -3.888 1.00 1.06 C ATOM 128 NZ LYS A 8 7.297 -14.938 -3.365 1.00 1.90 N ATOM 0 H LYS A 8 10.007 -11.143 1.483 1.00 0.15 H new ATOM 0 HA LYS A 8 7.596 -10.727 0.124 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.860 -11.671 -0.706 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.327 -13.228 -0.104 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.244 -13.035 -1.520 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.836 -11.513 -2.155 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.734 -12.572 -3.221 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.518 -14.054 -2.312 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.379 -12.992 -4.220 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.653 -14.070 -4.756 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.957 -15.515 -4.161 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.913 -15.515 -2.757 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.485 -14.599 -2.811 1.00 1.90 H new ATOM 142 N THR A 9 7.482 -13.273 2.174 1.00 0.16 N ATOM 143 CA THR A 9 6.543 -14.260 2.778 1.00 0.18 C ATOM 144 C THR A 9 5.284 -13.546 3.272 1.00 0.16 C ATOM 145 O THR A 9 4.178 -14.006 3.070 1.00 0.17 O ATOM 146 CB THR A 9 7.227 -14.956 3.949 1.00 0.21 C ATOM 147 OG1 THR A 9 8.412 -15.596 3.494 1.00 0.24 O ATOM 148 CG2 THR A 9 6.281 -15.993 4.555 1.00 0.25 C ATOM 0 H THR A 9 8.398 -13.216 2.620 1.00 0.16 H new ATOM 0 HA THR A 9 6.263 -14.997 2.026 1.00 0.18 H new ATOM 0 HB THR A 9 7.484 -14.218 4.709 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.853 -16.042 4.247 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.773 -16.489 5.392 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.376 -15.498 4.907 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.019 -16.732 3.798 1.00 0.25 H new ATOM 156 N ALA A 10 5.444 -12.428 3.920 1.00 0.16 N ATOM 157 CA ALA A 10 4.260 -11.681 4.436 1.00 0.17 C ATOM 158 C ALA A 10 3.475 -11.079 3.266 1.00 0.15 C ATOM 159 O ALA A 10 2.288 -10.842 3.364 1.00 0.17 O ATOM 160 CB ALA A 10 4.736 -10.559 5.361 1.00 0.20 C ATOM 0 H ALA A 10 6.347 -11.996 4.116 1.00 0.16 H new ATOM 0 HA ALA A 10 3.613 -12.364 4.987 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.874 -10.010 5.741 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.291 -10.987 6.196 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.383 -9.880 4.806 1.00 0.20 H new ATOM 166 N PHE A 11 4.126 -10.824 2.165 1.00 0.12 N ATOM 167 CA PHE A 11 3.414 -10.231 0.996 1.00 0.11 C ATOM 168 C PHE A 11 2.288 -11.158 0.541 1.00 0.13 C ATOM 169 O PHE A 11 1.125 -10.833 0.656 1.00 0.16 O ATOM 170 CB PHE A 11 4.402 -10.016 -0.152 1.00 0.10 C ATOM 171 CG PHE A 11 3.681 -9.420 -1.340 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.203 -8.098 -1.279 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.494 -10.182 -2.512 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.537 -7.536 -2.384 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.827 -9.620 -3.618 1.00 0.18 C ATOM 176 CZ PHE A 11 2.349 -8.297 -3.555 1.00 0.21 C ATOM 0 H PHE A 11 5.121 -11.000 2.023 1.00 0.12 H new ATOM 0 HA PHE A 11 2.986 -9.273 1.290 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.207 -9.354 0.167 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.862 -10.964 -0.431 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.348 -7.513 -0.382 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.862 -11.196 -2.561 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.170 -6.521 -2.335 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.682 -10.204 -4.515 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.839 -7.866 -4.404 1.00 0.21 H new ATOM 186 N GLN A 12 2.618 -12.307 0.021 1.00 0.15 N ATOM 187 CA GLN A 12 1.553 -13.238 -0.446 1.00 0.19 C ATOM 188 C GLN A 12 0.556 -13.485 0.687 1.00 0.17 C ATOM 189 O GLN A 12 -0.642 -13.472 0.487 1.00 0.16 O ATOM 190 CB GLN A 12 2.187 -14.565 -0.867 1.00 0.24 C ATOM 191 CG GLN A 12 3.211 -14.311 -1.975 1.00 1.21 C ATOM 192 CD GLN A 12 2.479 -13.976 -3.276 1.00 1.77 C ATOM 193 OE1 GLN A 12 2.421 -12.832 -3.679 1.00 2.35 O ATOM 194 NE2 GLN A 12 1.912 -14.936 -3.956 1.00 2.47 N ATOM 0 H GLN A 12 3.574 -12.641 -0.101 1.00 0.15 H new ATOM 0 HA GLN A 12 1.032 -12.797 -1.296 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.670 -15.037 -0.012 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.418 -15.253 -1.218 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.871 -13.490 -1.694 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.839 -15.191 -2.114 1.00 1.21 H new ATOM 0 HE21 GLN A 12 1.960 -15.897 -3.618 1.00 2.47 H new ATOM 0 HE22 GLN A 12 1.421 -14.724 -4.825 1.00 2.47 H new ATOM 203 N GLU A 13 1.041 -13.712 1.875 1.00 0.19 N ATOM 204 CA GLU A 13 0.124 -13.962 3.019 1.00 0.20 C ATOM 205 C GLU A 13 -0.804 -12.758 3.219 1.00 0.18 C ATOM 206 O GLU A 13 -1.962 -12.909 3.554 1.00 0.19 O ATOM 207 CB GLU A 13 0.957 -14.188 4.283 1.00 0.25 C ATOM 208 CG GLU A 13 1.541 -15.603 4.274 1.00 0.30 C ATOM 209 CD GLU A 13 2.617 -15.721 5.356 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.686 -14.836 6.193 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.353 -16.693 5.328 1.00 2.10 O ATOM 0 H GLU A 13 2.035 -13.735 2.103 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.484 -14.843 2.814 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.761 -13.454 4.336 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.337 -14.046 5.168 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.752 -16.334 4.450 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.968 -15.825 3.296 1.00 0.30 H new ATOM 218 N ALA A 14 -0.310 -11.567 3.019 1.00 0.18 N ATOM 219 CA ALA A 14 -1.171 -10.362 3.203 1.00 0.18 C ATOM 220 C ALA A 14 -2.362 -10.433 2.241 1.00 0.18 C ATOM 221 O ALA A 14 -3.494 -10.199 2.616 1.00 0.19 O ATOM 222 CB ALA A 14 -0.354 -9.107 2.903 1.00 0.20 C ATOM 0 H ALA A 14 0.651 -11.375 2.736 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.534 -10.327 4.230 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.980 -8.225 3.036 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.496 -9.055 3.583 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.006 -9.144 1.875 1.00 0.20 H new ATOM 228 N LEU A 15 -2.110 -10.752 1.000 1.00 0.17 N ATOM 229 CA LEU A 15 -3.214 -10.841 -0.003 1.00 0.18 C ATOM 230 C LEU A 15 -4.183 -11.961 0.382 1.00 0.18 C ATOM 231 O LEU A 15 -5.385 -11.795 0.345 1.00 0.18 O ATOM 232 CB LEU A 15 -2.618 -11.131 -1.386 1.00 0.19 C ATOM 233 CG LEU A 15 -1.352 -10.294 -1.589 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.863 -10.455 -3.028 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.663 -8.817 -1.321 1.00 0.62 C ATOM 0 H LEU A 15 -1.180 -10.957 0.634 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.756 -9.896 -0.026 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.383 -12.191 -1.476 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.347 -10.899 -2.163 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.580 -10.633 -0.899 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.038 -9.860 -3.175 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.640 -11.504 -3.221 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.638 -10.116 -3.716 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.761 -8.223 -1.466 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.436 -8.477 -2.010 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.014 -8.699 -0.296 1.00 0.62 H new ATOM 247 N ASP A 16 -3.673 -13.105 0.744 1.00 0.19 N ATOM 248 CA ASP A 16 -4.574 -14.230 1.121 1.00 0.21 C ATOM 249 C ASP A 16 -5.382 -13.841 2.362 1.00 0.20 C ATOM 250 O ASP A 16 -6.562 -14.114 2.456 1.00 0.20 O ATOM 251 CB ASP A 16 -3.737 -15.476 1.419 1.00 0.24 C ATOM 252 CG ASP A 16 -4.639 -16.712 1.411 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.814 -17.285 0.347 1.00 1.07 O ATOM 254 OD2 ASP A 16 -5.137 -17.065 2.466 1.00 1.09 O ATOM 0 H ASP A 16 -2.675 -13.310 0.795 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.256 -14.443 0.298 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.948 -15.584 0.674 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.249 -15.376 2.388 1.00 0.24 H new ATOM 259 N ALA A 17 -4.757 -13.208 3.315 1.00 0.22 N ATOM 260 CA ALA A 17 -5.493 -12.804 4.547 1.00 0.24 C ATOM 261 C ALA A 17 -6.301 -11.533 4.270 1.00 0.21 C ATOM 262 O ALA A 17 -7.158 -11.151 5.043 1.00 0.22 O ATOM 263 CB ALA A 17 -4.490 -12.536 5.670 1.00 0.30 C ATOM 0 H ALA A 17 -3.770 -12.953 3.295 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.171 -13.604 4.844 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.025 -12.240 6.573 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.916 -13.441 5.869 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.814 -11.735 5.370 1.00 0.30 H new ATOM 269 N ALA A 18 -6.039 -10.874 3.173 1.00 0.21 N ATOM 270 CA ALA A 18 -6.794 -9.630 2.852 1.00 0.22 C ATOM 271 C ALA A 18 -8.247 -9.982 2.524 1.00 0.21 C ATOM 272 O ALA A 18 -9.086 -9.116 2.375 1.00 0.24 O ATOM 273 CB ALA A 18 -6.150 -8.942 1.646 1.00 0.23 C ATOM 0 H ALA A 18 -5.335 -11.144 2.486 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.770 -8.959 3.710 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.701 -8.032 1.409 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.116 -8.690 1.880 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.174 -9.614 0.788 1.00 0.23 H new ATOM 279 N GLY A 19 -8.552 -11.245 2.412 1.00 0.22 N ATOM 280 CA GLY A 19 -9.952 -11.648 2.093 1.00 0.24 C ATOM 281 C GLY A 19 -10.267 -11.288 0.640 1.00 0.20 C ATOM 282 O GLY A 19 -9.708 -11.850 -0.281 1.00 0.28 O ATOM 0 H GLY A 19 -7.894 -12.016 2.527 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.078 -12.719 2.249 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.649 -11.144 2.763 1.00 0.24 H new ATOM 286 N ASP A 20 -11.159 -10.352 0.427 1.00 0.13 N ATOM 287 CA ASP A 20 -11.519 -9.945 -0.968 1.00 0.18 C ATOM 288 C ASP A 20 -11.632 -8.423 -1.038 1.00 0.15 C ATOM 289 O ASP A 20 -11.956 -7.865 -2.068 1.00 0.22 O ATOM 290 CB ASP A 20 -12.862 -10.569 -1.351 1.00 0.26 C ATOM 291 CG ASP A 20 -12.804 -12.081 -1.131 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.738 -12.646 -1.316 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.827 -12.649 -0.784 1.00 2.21 O ATOM 0 H ASP A 20 -11.656 -9.850 1.163 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.747 -10.288 -1.657 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.661 -10.134 -0.751 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.092 -10.351 -2.394 1.00 0.26 H new ATOM 298 N LYS A 21 -11.364 -7.744 0.042 1.00 0.12 N ATOM 299 CA LYS A 21 -11.453 -6.260 0.023 1.00 0.19 C ATOM 300 C LYS A 21 -10.323 -5.714 -0.840 1.00 0.15 C ATOM 301 O LYS A 21 -9.413 -6.428 -1.211 1.00 0.15 O ATOM 302 CB LYS A 21 -11.323 -5.724 1.449 1.00 0.27 C ATOM 303 CG LYS A 21 -12.651 -5.911 2.187 1.00 0.29 C ATOM 304 CD LYS A 21 -12.426 -5.767 3.692 1.00 0.30 C ATOM 305 CE LYS A 21 -13.771 -5.562 4.389 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.584 -5.597 5.869 1.00 1.90 N ATOM 0 H LYS A 21 -11.088 -8.153 0.935 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.413 -5.947 -0.387 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.525 -6.249 1.975 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.051 -4.669 1.429 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.376 -5.172 1.845 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.068 -6.893 1.964 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.933 -6.656 4.084 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.767 -4.922 3.893 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.204 -4.607 4.090 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.472 -6.339 4.083 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.502 -5.457 6.338 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.190 -6.518 6.147 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.930 -4.840 6.154 1.00 1.90 H new ATOM 320 N LEU A 22 -10.371 -4.458 -1.172 1.00 0.13 N ATOM 321 CA LEU A 22 -9.296 -3.888 -2.017 1.00 0.11 C ATOM 322 C LEU A 22 -7.974 -3.948 -1.230 1.00 0.10 C ATOM 323 O LEU A 22 -7.974 -4.145 -0.032 1.00 0.11 O ATOM 324 CB LEU A 22 -9.663 -2.427 -2.369 1.00 0.12 C ATOM 325 CG LEU A 22 -9.476 -2.136 -3.873 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.828 -0.650 -4.152 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.020 -2.426 -4.292 1.00 0.11 C ATOM 0 H LEU A 22 -11.105 -3.806 -0.896 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.183 -4.452 -2.943 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.698 -2.234 -2.087 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.042 -1.746 -1.787 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.137 -2.780 -4.453 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.698 -0.438 -5.213 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.864 -0.462 -3.869 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.170 -0.005 -3.570 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.899 -2.217 -5.355 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.343 -1.793 -3.718 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.788 -3.473 -4.099 1.00 0.11 H new ATOM 339 N VAL A 23 -6.851 -3.775 -1.883 1.00 0.08 N ATOM 340 CA VAL A 23 -5.545 -3.819 -1.151 1.00 0.09 C ATOM 341 C VAL A 23 -4.565 -2.824 -1.782 1.00 0.08 C ATOM 342 O VAL A 23 -4.037 -3.055 -2.850 1.00 0.09 O ATOM 343 CB VAL A 23 -4.958 -5.232 -1.230 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.825 -5.373 -0.212 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.053 -6.255 -0.919 1.00 0.10 C ATOM 0 H VAL A 23 -6.781 -3.606 -2.886 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.710 -3.552 -0.107 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.568 -5.408 -2.233 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.408 -6.378 -0.269 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.045 -4.644 -0.432 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.213 -5.197 0.791 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.637 -7.261 -0.975 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.442 -6.078 0.084 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.861 -6.155 -1.644 1.00 0.10 H new ATOM 355 N VAL A 24 -4.311 -1.717 -1.118 1.00 0.08 N ATOM 356 CA VAL A 24 -3.356 -0.699 -1.662 1.00 0.08 C ATOM 357 C VAL A 24 -2.029 -0.808 -0.908 1.00 0.08 C ATOM 358 O VAL A 24 -1.996 -0.875 0.306 1.00 0.08 O ATOM 359 CB VAL A 24 -3.946 0.705 -1.487 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.234 1.690 -2.419 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.438 0.671 -1.828 1.00 0.09 C ATOM 0 H VAL A 24 -4.727 -1.476 -0.219 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.186 -0.880 -2.723 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.810 1.027 -0.455 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.659 2.685 -2.289 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.171 1.715 -2.179 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.365 1.372 -3.453 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.862 1.668 -1.705 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.568 0.346 -2.860 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.948 -0.025 -1.162 1.00 0.09 H new ATOM 371 N VAL A 25 -0.936 -0.842 -1.627 1.00 0.09 N ATOM 372 CA VAL A 25 0.411 -0.964 -0.983 1.00 0.09 C ATOM 373 C VAL A 25 1.175 0.351 -1.137 1.00 0.10 C ATOM 374 O VAL A 25 1.183 0.951 -2.191 1.00 0.17 O ATOM 375 CB VAL A 25 1.196 -2.081 -1.681 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.351 -2.543 -0.789 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.263 -3.261 -1.961 1.00 0.09 C ATOM 0 H VAL A 25 -0.918 -0.790 -2.646 1.00 0.09 H new ATOM 0 HA VAL A 25 0.290 -1.193 0.076 1.00 0.09 H new ATOM 0 HB VAL A 25 1.599 -1.703 -2.620 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.904 -3.337 -1.292 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.018 -1.703 -0.594 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.954 -2.918 0.154 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.820 -4.056 -2.457 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.143 -3.635 -1.021 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.554 -2.934 -2.604 1.00 0.09 H new ATOM 387 N ASP A 26 1.826 0.793 -0.094 1.00 0.08 N ATOM 388 CA ASP A 26 2.609 2.065 -0.160 1.00 0.08 C ATOM 389 C ASP A 26 4.105 1.743 -0.116 1.00 0.08 C ATOM 390 O ASP A 26 4.658 1.469 0.930 1.00 0.09 O ATOM 391 CB ASP A 26 2.243 2.944 1.039 1.00 0.09 C ATOM 392 CG ASP A 26 3.164 4.165 1.086 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.297 4.822 0.066 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.721 4.423 2.141 1.00 0.93 O ATOM 0 H ASP A 26 1.850 0.323 0.811 1.00 0.08 H new ATOM 0 HA ASP A 26 2.377 2.592 -1.086 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.204 3.264 0.964 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.334 2.372 1.962 1.00 0.09 H new ATOM 399 N PHE A 27 4.771 1.785 -1.239 1.00 0.08 N ATOM 400 CA PHE A 27 6.232 1.494 -1.248 1.00 0.09 C ATOM 401 C PHE A 27 6.971 2.786 -0.907 1.00 0.11 C ATOM 402 O PHE A 27 7.424 3.500 -1.783 1.00 0.13 O ATOM 403 CB PHE A 27 6.651 1.041 -2.647 1.00 0.10 C ATOM 404 CG PHE A 27 6.261 -0.404 -2.875 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.935 -0.738 -3.213 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.235 -1.414 -2.767 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.585 -2.085 -3.441 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.885 -2.758 -2.998 1.00 0.21 C ATOM 409 CZ PHE A 27 5.560 -3.093 -3.335 1.00 0.23 C ATOM 0 H PHE A 27 4.366 2.008 -2.148 1.00 0.08 H new ATOM 0 HA PHE A 27 6.466 0.711 -0.527 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.178 1.674 -3.398 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.728 1.156 -2.766 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.187 0.037 -3.297 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.251 -1.158 -2.507 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.568 -2.343 -3.697 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.633 -3.532 -2.917 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.292 -4.124 -3.512 1.00 0.23 H new ATOM 419 N SER A 28 7.080 3.095 0.361 1.00 0.11 N ATOM 420 CA SER A 28 7.776 4.349 0.792 1.00 0.12 C ATOM 421 C SER A 28 9.044 3.995 1.566 1.00 0.10 C ATOM 422 O SER A 28 9.113 2.982 2.233 1.00 0.11 O ATOM 423 CB SER A 28 6.849 5.147 1.704 1.00 0.17 C ATOM 424 OG SER A 28 5.769 5.668 0.940 1.00 1.03 O ATOM 0 H SER A 28 6.713 2.527 1.124 1.00 0.11 H new ATOM 0 HA SER A 28 8.037 4.937 -0.088 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.470 4.510 2.503 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.399 5.960 2.178 1.00 0.17 H new ATOM 0 HG SER A 28 5.180 6.193 1.522 1.00 1.03 H new ATOM 430 N ALA A 29 10.043 4.833 1.503 1.00 0.10 N ATOM 431 CA ALA A 29 11.302 4.559 2.256 1.00 0.15 C ATOM 432 C ALA A 29 11.196 5.234 3.631 1.00 0.18 C ATOM 433 O ALA A 29 10.967 6.422 3.733 1.00 0.26 O ATOM 434 CB ALA A 29 12.495 5.123 1.469 1.00 0.19 C ATOM 0 H ALA A 29 10.042 5.697 0.962 1.00 0.10 H new ATOM 0 HA ALA A 29 11.449 3.487 2.387 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.417 4.925 2.015 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.543 4.646 0.490 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.372 6.199 1.343 1.00 0.19 H new ATOM 440 N THR A 30 11.342 4.480 4.685 1.00 0.18 N ATOM 441 CA THR A 30 11.228 5.070 6.051 1.00 0.23 C ATOM 442 C THR A 30 12.364 6.067 6.300 1.00 0.26 C ATOM 443 O THR A 30 12.255 6.945 7.132 1.00 0.31 O ATOM 444 CB THR A 30 11.299 3.952 7.093 1.00 0.26 C ATOM 445 OG1 THR A 30 11.201 4.512 8.394 1.00 0.32 O ATOM 446 CG2 THR A 30 12.626 3.205 6.952 1.00 0.28 C ATOM 0 H THR A 30 11.536 3.479 4.661 1.00 0.18 H new ATOM 0 HA THR A 30 10.275 5.594 6.130 1.00 0.23 H new ATOM 0 HB THR A 30 10.476 3.255 6.936 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.245 3.797 9.062 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.676 2.409 7.695 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.697 2.775 5.953 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.452 3.899 7.108 1.00 0.28 H new ATOM 454 N TRP A 31 13.455 5.939 5.595 1.00 0.26 N ATOM 455 CA TRP A 31 14.597 6.880 5.806 1.00 0.32 C ATOM 456 C TRP A 31 14.441 8.100 4.897 1.00 0.32 C ATOM 457 O TRP A 31 15.143 9.081 5.036 1.00 0.36 O ATOM 458 CB TRP A 31 15.910 6.166 5.472 1.00 0.34 C ATOM 459 CG TRP A 31 15.980 5.881 4.006 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.588 4.727 3.417 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.465 6.743 2.939 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.804 4.824 2.053 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.341 6.048 1.707 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.996 8.054 2.919 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.733 6.633 0.493 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.391 8.646 1.702 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.258 7.937 0.491 1.00 0.40 C ATOM 0 H TRP A 31 13.607 5.225 4.882 1.00 0.26 H new ATOM 0 HA TRP A 31 14.606 7.205 6.846 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.756 6.785 5.771 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.981 5.236 6.035 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.174 3.870 3.928 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.592 4.082 1.386 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.099 8.605 3.842 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.632 6.086 -0.432 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.797 9.647 1.698 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.560 8.396 -0.439 1.00 0.40 H new ATOM 478 N CYS A 32 13.539 8.039 3.956 1.00 0.28 N ATOM 479 CA CYS A 32 13.348 9.185 3.018 1.00 0.30 C ATOM 480 C CYS A 32 12.188 10.067 3.495 1.00 0.31 C ATOM 481 O CYS A 32 11.098 9.599 3.760 1.00 0.29 O ATOM 482 CB CYS A 32 13.063 8.626 1.622 1.00 0.28 C ATOM 483 SG CYS A 32 13.630 9.804 0.369 1.00 0.32 S ATOM 0 H CYS A 32 12.923 7.242 3.795 1.00 0.28 H new ATOM 0 HA CYS A 32 14.247 9.800 2.988 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.569 7.669 1.492 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.995 8.440 1.505 1.00 0.28 H new ATOM 488 N GLY A 33 12.431 11.343 3.611 1.00 0.34 N ATOM 489 CA GLY A 33 11.376 12.286 4.077 1.00 0.36 C ATOM 490 C GLY A 33 10.235 12.411 3.052 1.00 0.35 C ATOM 491 O GLY A 33 9.092 12.199 3.398 1.00 0.33 O ATOM 0 H GLY A 33 13.329 11.778 3.400 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.974 11.941 5.030 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.816 13.267 4.253 1.00 0.36 H new ATOM 495 N PRO A 34 10.559 12.779 1.829 1.00 0.37 N ATOM 496 CA PRO A 34 9.539 12.969 0.776 1.00 0.38 C ATOM 497 C PRO A 34 8.555 11.795 0.731 1.00 0.35 C ATOM 498 O PRO A 34 7.381 11.973 0.467 1.00 0.36 O ATOM 499 CB PRO A 34 10.355 13.091 -0.530 1.00 0.42 C ATOM 500 CG PRO A 34 11.812 13.422 -0.106 1.00 0.44 C ATOM 501 CD PRO A 34 11.947 13.026 1.383 1.00 0.40 C ATOM 0 HA PRO A 34 8.918 13.848 0.951 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.318 12.163 -1.100 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.949 13.874 -1.170 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.527 12.872 -0.718 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.023 14.482 -0.244 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.566 12.137 1.502 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.415 13.821 1.964 1.00 0.40 H new ATOM 509 N ALA A 35 9.009 10.604 0.988 1.00 0.33 N ATOM 510 CA ALA A 35 8.079 9.444 0.957 1.00 0.32 C ATOM 511 C ALA A 35 7.248 9.443 2.241 1.00 0.39 C ATOM 512 O ALA A 35 6.038 9.551 2.215 1.00 0.81 O ATOM 513 CB ALA A 35 8.888 8.146 0.858 1.00 0.36 C ATOM 0 H ALA A 35 9.978 10.383 1.217 1.00 0.33 H new ATOM 0 HA ALA A 35 7.417 9.517 0.094 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.208 7.294 0.835 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.485 8.158 -0.054 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.547 8.061 1.722 1.00 0.36 H new ATOM 519 N LYS A 36 7.894 9.326 3.363 1.00 0.30 N ATOM 520 CA LYS A 36 7.166 9.323 4.661 1.00 0.28 C ATOM 521 C LYS A 36 6.386 10.630 4.830 1.00 0.24 C ATOM 522 O LYS A 36 5.504 10.732 5.659 1.00 0.25 O ATOM 523 CB LYS A 36 8.184 9.188 5.795 1.00 0.35 C ATOM 524 CG LYS A 36 7.464 9.209 7.144 1.00 0.38 C ATOM 525 CD LYS A 36 8.446 8.820 8.252 1.00 0.49 C ATOM 526 CE LYS A 36 7.717 8.785 9.597 1.00 1.22 C ATOM 527 NZ LYS A 36 8.718 8.704 10.700 1.00 1.92 N ATOM 0 H LYS A 36 8.907 9.231 3.439 1.00 0.30 H new ATOM 0 HA LYS A 36 6.465 8.489 4.683 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.743 8.259 5.685 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.907 10.002 5.746 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.057 10.202 7.336 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.622 8.517 7.130 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.883 7.844 8.038 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.268 9.535 8.291 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.102 9.678 9.713 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.045 7.928 9.637 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.225 8.680 11.615 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.286 7.840 10.590 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.342 9.535 10.664 1.00 1.92 H new ATOM 541 N MET A 37 6.712 11.634 4.065 1.00 0.23 N ATOM 542 CA MET A 37 5.993 12.933 4.203 1.00 0.24 C ATOM 543 C MET A 37 4.503 12.746 3.911 1.00 0.20 C ATOM 544 O MET A 37 3.669 13.474 4.414 1.00 0.20 O ATOM 545 CB MET A 37 6.582 13.960 3.227 1.00 0.29 C ATOM 546 CG MET A 37 5.938 15.334 3.460 1.00 1.31 C ATOM 547 SD MET A 37 4.329 15.403 2.635 1.00 2.12 S ATOM 548 CE MET A 37 3.702 16.875 3.482 1.00 3.13 C ATOM 0 H MET A 37 7.442 11.613 3.353 1.00 0.23 H new ATOM 0 HA MET A 37 6.113 13.293 5.225 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.661 14.027 3.364 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.410 13.638 2.200 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.817 15.513 4.528 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.588 16.120 3.076 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.700 17.105 3.119 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.665 16.689 4.555 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.362 17.719 3.282 1.00 3.13 H new ATOM 558 N ILE A 38 4.160 11.788 3.090 1.00 0.18 N ATOM 559 CA ILE A 38 2.720 11.566 2.746 1.00 0.15 C ATOM 560 C ILE A 38 2.124 10.460 3.622 1.00 0.16 C ATOM 561 O ILE A 38 1.088 9.909 3.311 1.00 0.16 O ATOM 562 CB ILE A 38 2.614 11.173 1.259 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.213 12.306 0.400 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.127 10.949 0.882 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.623 11.767 -0.976 1.00 0.28 C ATOM 0 H ILE A 38 4.815 11.148 2.641 1.00 0.18 H new ATOM 0 HA ILE A 38 2.161 12.484 2.926 1.00 0.15 H new ATOM 0 HB ILE A 38 3.163 10.249 1.079 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.484 13.107 0.282 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.079 12.735 0.904 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.056 10.671 -0.170 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.712 10.150 1.497 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.566 11.868 1.053 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.044 12.576 -1.573 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.368 10.982 -0.852 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.748 11.360 -1.483 1.00 0.28 H new ATOM 577 N LYS A 39 2.750 10.128 4.726 1.00 0.19 N ATOM 578 CA LYS A 39 2.166 9.061 5.587 1.00 0.22 C ATOM 579 C LYS A 39 0.879 9.520 6.312 1.00 0.20 C ATOM 580 O LYS A 39 0.026 8.697 6.561 1.00 0.21 O ATOM 581 CB LYS A 39 3.201 8.476 6.585 1.00 0.31 C ATOM 582 CG LYS A 39 3.427 9.368 7.830 1.00 0.34 C ATOM 583 CD LYS A 39 3.976 8.515 8.988 1.00 0.45 C ATOM 584 CE LYS A 39 2.907 7.518 9.490 1.00 1.16 C ATOM 585 NZ LYS A 39 3.160 6.179 8.884 1.00 1.62 N ATOM 0 H LYS A 39 3.621 10.541 5.060 1.00 0.19 H new ATOM 0 HA LYS A 39 1.879 8.256 4.911 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.865 7.491 6.909 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.152 8.336 6.070 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.127 10.169 7.593 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.490 9.840 8.126 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.861 7.971 8.657 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.288 9.163 9.807 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.939 7.450 10.577 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.911 7.869 9.222 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.292 5.837 8.424 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.920 6.256 8.178 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.445 5.510 9.627 1.00 1.62 H new ATOM 599 N PRO A 40 0.745 10.791 6.671 1.00 0.20 N ATOM 600 CA PRO A 40 -0.463 11.227 7.393 1.00 0.21 C ATOM 601 C PRO A 40 -1.702 11.019 6.515 1.00 0.17 C ATOM 602 O PRO A 40 -2.817 11.247 6.938 1.00 0.20 O ATOM 603 CB PRO A 40 -0.222 12.718 7.722 1.00 0.24 C ATOM 604 CG PRO A 40 1.227 13.057 7.271 1.00 0.25 C ATOM 605 CD PRO A 40 1.717 11.881 6.401 1.00 0.21 C ATOM 0 HA PRO A 40 -0.642 10.656 8.304 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.944 13.349 7.204 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.346 12.902 8.789 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.247 13.989 6.706 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.877 13.194 8.135 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.731 12.148 5.344 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.731 11.584 6.669 1.00 0.21 H new ATOM 613 N PHE A 41 -1.507 10.583 5.294 1.00 0.14 N ATOM 614 CA PHE A 41 -2.660 10.342 4.369 1.00 0.14 C ATOM 615 C PHE A 41 -2.821 8.839 4.142 1.00 0.11 C ATOM 616 O PHE A 41 -3.697 8.217 4.701 1.00 0.13 O ATOM 617 CB PHE A 41 -2.397 11.048 3.034 1.00 0.15 C ATOM 618 CG PHE A 41 -2.741 12.511 3.180 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.821 13.391 3.780 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.988 12.988 2.734 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.147 14.753 3.931 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.316 14.350 2.887 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.395 15.233 3.485 1.00 0.27 C ATOM 0 H PHE A 41 -0.590 10.382 4.895 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.575 10.738 4.809 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.352 10.933 2.746 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.997 10.596 2.244 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.866 13.022 4.124 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.693 12.311 2.275 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.441 15.430 4.389 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.273 14.717 2.546 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.645 16.277 3.602 1.00 0.27 H new ATOM 633 N PHE A 42 -1.985 8.255 3.328 1.00 0.10 N ATOM 634 CA PHE A 42 -2.093 6.790 3.053 1.00 0.11 C ATOM 635 C PHE A 42 -2.374 6.014 4.347 1.00 0.11 C ATOM 636 O PHE A 42 -3.347 5.294 4.450 1.00 0.12 O ATOM 637 CB PHE A 42 -0.776 6.299 2.449 1.00 0.13 C ATOM 638 CG PHE A 42 -0.847 4.805 2.248 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.569 4.284 1.162 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.191 3.934 3.143 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.641 2.895 0.966 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.263 2.541 2.947 1.00 0.10 C ATOM 643 CZ PHE A 42 -0.988 2.021 1.856 1.00 0.10 C ATOM 0 H PHE A 42 -1.227 8.730 2.838 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.916 6.621 2.359 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.591 6.797 1.497 1.00 0.13 H new ATOM 0 HB3 PHE A 42 0.056 6.550 3.108 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.069 4.952 0.477 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.366 4.335 3.977 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.198 2.497 0.131 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.237 1.872 3.632 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.043 0.953 1.703 1.00 0.10 H new ATOM 653 N HIS A 43 -1.526 6.146 5.327 1.00 0.14 N ATOM 654 CA HIS A 43 -1.739 5.408 6.606 1.00 0.16 C ATOM 655 C HIS A 43 -2.995 5.941 7.317 1.00 0.16 C ATOM 656 O HIS A 43 -3.674 5.209 8.009 1.00 0.18 O ATOM 657 CB HIS A 43 -0.472 5.548 7.483 1.00 0.21 C ATOM 658 CG HIS A 43 -0.800 5.439 8.951 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.686 4.250 9.654 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.267 6.364 9.850 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.079 4.489 10.919 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.445 5.762 11.093 1.00 0.39 N ATOM 0 H HIS A 43 -0.693 6.734 5.299 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.904 4.348 6.411 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.247 4.775 7.212 1.00 0.21 H new ATOM 0 HB3 HIS A 43 0.004 6.509 7.286 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.466 7.402 9.627 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.096 3.742 11.699 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.782 6.199 11.951 1.00 0.39 H new ATOM 670 N SER A 44 -3.315 7.194 7.157 1.00 0.20 N ATOM 671 CA SER A 44 -4.531 7.734 7.833 1.00 0.25 C ATOM 672 C SER A 44 -5.786 7.045 7.282 1.00 0.20 C ATOM 673 O SER A 44 -6.701 6.731 8.017 1.00 0.21 O ATOM 674 CB SER A 44 -4.636 9.239 7.596 1.00 0.34 C ATOM 675 OG SER A 44 -5.988 9.647 7.764 1.00 0.97 O ATOM 0 H SER A 44 -2.793 7.865 6.593 1.00 0.20 H new ATOM 0 HA SER A 44 -4.451 7.541 8.903 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.993 9.775 8.294 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.292 9.486 6.592 1.00 0.34 H new ATOM 0 HG SER A 44 -6.059 10.613 7.614 1.00 0.97 H new ATOM 681 N LEU A 45 -5.842 6.810 5.997 1.00 0.18 N ATOM 682 CA LEU A 45 -7.049 6.148 5.417 1.00 0.18 C ATOM 683 C LEU A 45 -7.380 4.893 6.227 1.00 0.16 C ATOM 684 O LEU A 45 -8.465 4.355 6.138 1.00 0.23 O ATOM 685 CB LEU A 45 -6.780 5.745 3.961 1.00 0.19 C ATOM 686 CG LEU A 45 -6.382 6.969 3.125 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.046 6.513 1.703 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.539 7.980 3.084 1.00 0.50 C ATOM 0 H LEU A 45 -5.110 7.046 5.327 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.886 6.846 5.451 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -5.985 5.000 3.925 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.670 5.282 3.536 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.513 7.449 3.576 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.762 7.377 1.102 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.218 5.804 1.734 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.918 6.033 1.259 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.246 8.844 2.488 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.416 7.512 2.637 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.777 8.302 4.098 1.00 0.50 H new ATOM 700 N SER A 46 -6.455 4.420 7.016 1.00 0.20 N ATOM 701 CA SER A 46 -6.723 3.199 7.826 1.00 0.25 C ATOM 702 C SER A 46 -7.950 3.423 8.715 1.00 0.17 C ATOM 703 O SER A 46 -8.680 2.502 9.022 1.00 0.15 O ATOM 704 CB SER A 46 -5.510 2.895 8.706 1.00 0.36 C ATOM 705 OG SER A 46 -4.362 2.735 7.884 1.00 0.51 O ATOM 0 H SER A 46 -5.527 4.826 7.135 1.00 0.20 H new ATOM 0 HA SER A 46 -6.911 2.360 7.156 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.351 3.704 9.419 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.685 1.989 9.286 1.00 0.36 H new ATOM 0 HG SER A 46 -3.937 3.607 7.742 1.00 0.51 H new ATOM 711 N GLU A 47 -8.178 4.641 9.143 1.00 0.21 N ATOM 712 CA GLU A 47 -9.353 4.922 10.027 1.00 0.21 C ATOM 713 C GLU A 47 -10.534 5.434 9.199 1.00 0.18 C ATOM 714 O GLU A 47 -11.667 5.400 9.639 1.00 0.18 O ATOM 715 CB GLU A 47 -8.969 5.990 11.055 1.00 0.32 C ATOM 716 CG GLU A 47 -7.615 5.641 11.677 1.00 0.39 C ATOM 717 CD GLU A 47 -7.405 6.470 12.946 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.092 7.467 13.099 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.562 6.092 13.744 1.00 1.98 O ATOM 0 H GLU A 47 -7.602 5.452 8.919 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.642 3.999 10.530 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -8.919 6.968 10.577 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.732 6.053 11.831 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.575 4.578 11.914 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.814 5.839 10.964 1.00 0.39 H new ATOM 726 N LYS A 48 -10.289 5.916 8.010 1.00 0.18 N ATOM 727 CA LYS A 48 -11.412 6.438 7.172 1.00 0.17 C ATOM 728 C LYS A 48 -11.967 5.316 6.292 1.00 0.15 C ATOM 729 O LYS A 48 -13.103 5.359 5.865 1.00 0.18 O ATOM 730 CB LYS A 48 -10.896 7.577 6.285 1.00 0.21 C ATOM 731 CG LYS A 48 -12.081 8.395 5.763 1.00 0.26 C ATOM 732 CD LYS A 48 -11.625 9.284 4.606 1.00 1.09 C ATOM 733 CE LYS A 48 -12.812 10.104 4.099 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.200 11.107 5.131 1.00 2.16 N ATOM 0 H LYS A 48 -9.365 5.972 7.582 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.205 6.809 7.821 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.221 8.217 6.853 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.324 7.172 5.450 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.877 7.728 5.430 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.493 9.008 6.565 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.825 9.947 4.935 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.220 8.672 3.800 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.549 10.607 3.168 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.654 9.448 3.880 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.795 11.840 4.696 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.731 10.636 5.891 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.345 11.546 5.528 1.00 2.16 H new ATOM 748 N TYR A 49 -11.171 4.312 6.023 1.00 0.13 N ATOM 749 CA TYR A 49 -11.638 3.171 5.172 1.00 0.13 C ATOM 750 C TYR A 49 -11.295 1.854 5.866 1.00 0.11 C ATOM 751 O TYR A 49 -10.479 1.086 5.396 1.00 0.11 O ATOM 752 CB TYR A 49 -10.942 3.234 3.806 1.00 0.15 C ATOM 753 CG TYR A 49 -11.630 4.261 2.936 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.897 3.981 2.393 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.010 5.499 2.675 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.545 4.933 1.587 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.657 6.454 1.871 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.925 6.172 1.325 1.00 0.21 C ATOM 759 OH TYR A 49 -13.561 7.108 0.535 1.00 0.24 O ATOM 0 H TYR A 49 -10.211 4.232 6.358 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.717 3.236 5.028 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.891 3.495 3.933 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -10.972 2.256 3.325 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.373 3.033 2.596 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.038 5.714 3.093 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.517 4.716 1.169 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.182 7.403 1.672 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.998 7.906 0.456 1.00 0.24 H new ATOM 769 N SER A 50 -11.919 1.583 6.978 1.00 0.12 N ATOM 770 CA SER A 50 -11.638 0.312 7.697 1.00 0.13 C ATOM 771 C SER A 50 -12.126 -0.856 6.841 1.00 0.13 C ATOM 772 O SER A 50 -11.951 -2.010 7.182 1.00 0.14 O ATOM 773 CB SER A 50 -12.375 0.311 9.036 1.00 0.16 C ATOM 774 OG SER A 50 -13.776 0.386 8.801 1.00 0.17 O ATOM 0 H SER A 50 -12.612 2.188 7.419 1.00 0.12 H new ATOM 0 HA SER A 50 -10.568 0.215 7.878 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.136 -0.594 9.595 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.051 1.156 9.643 1.00 0.16 H new ATOM 0 HG SER A 50 -14.252 0.384 9.658 1.00 0.17 H new ATOM 780 N ASN A 51 -12.740 -0.560 5.725 1.00 0.13 N ATOM 781 CA ASN A 51 -13.252 -1.636 4.827 1.00 0.15 C ATOM 782 C ASN A 51 -12.215 -1.924 3.740 1.00 0.13 C ATOM 783 O ASN A 51 -12.399 -2.790 2.908 1.00 0.14 O ATOM 784 CB ASN A 51 -14.556 -1.166 4.182 1.00 0.17 C ATOM 785 CG ASN A 51 -15.192 -2.318 3.403 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.775 -2.583 2.196 1.00 0.34 O flip ATOM 787 ND2 ASN A 51 -16.078 -2.985 3.899 1.00 0.32 N flip ATOM 0 H ASN A 51 -12.910 0.390 5.395 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.434 -2.545 5.401 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.244 -0.809 4.949 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.361 -0.327 3.514 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.405 -2.778 4.843 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.495 -3.752 3.372 1.00 0.32 H new ATOM 794 N VAL A 52 -11.120 -1.201 3.750 1.00 0.11 N ATOM 795 CA VAL A 52 -10.046 -1.417 2.729 1.00 0.10 C ATOM 796 C VAL A 52 -8.784 -1.906 3.430 1.00 0.10 C ATOM 797 O VAL A 52 -8.523 -1.567 4.567 1.00 0.11 O ATOM 798 CB VAL A 52 -9.736 -0.097 2.028 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.602 -0.307 1.025 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.986 0.395 1.297 1.00 0.12 C ATOM 0 H VAL A 52 -10.923 -0.464 4.428 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.382 -2.153 1.999 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.432 0.646 2.765 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.380 0.635 0.524 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.713 -0.657 1.549 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.903 -1.049 0.285 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.767 1.338 0.796 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.291 -0.346 0.559 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.792 0.545 2.015 1.00 0.12 H new ATOM 810 N ILE A 53 -7.997 -2.703 2.760 1.00 0.09 N ATOM 811 CA ILE A 53 -6.744 -3.226 3.383 1.00 0.09 C ATOM 812 C ILE A 53 -5.553 -2.381 2.914 1.00 0.09 C ATOM 813 O ILE A 53 -5.356 -2.166 1.735 1.00 0.14 O ATOM 814 CB ILE A 53 -6.537 -4.684 2.950 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.873 -5.457 2.998 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.494 -5.360 3.852 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.579 -5.291 4.352 1.00 0.17 C ATOM 0 H ILE A 53 -8.167 -3.016 1.804 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.822 -3.173 4.469 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.171 -4.694 1.923 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.527 -5.103 2.201 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.688 -6.515 2.812 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.355 -6.394 3.536 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.546 -4.827 3.776 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.839 -5.340 4.886 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.515 -5.850 4.345 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.936 -5.670 5.146 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.788 -4.236 4.526 1.00 0.17 H new ATOM 829 N PHE A 54 -4.758 -1.905 3.839 1.00 0.08 N ATOM 830 CA PHE A 54 -3.566 -1.071 3.483 1.00 0.08 C ATOM 831 C PHE A 54 -2.294 -1.815 3.887 1.00 0.08 C ATOM 832 O PHE A 54 -2.183 -2.321 4.986 1.00 0.11 O ATOM 833 CB PHE A 54 -3.634 0.258 4.237 1.00 0.08 C ATOM 834 CG PHE A 54 -4.796 1.069 3.713 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.740 1.610 2.415 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.934 1.283 4.517 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.819 2.367 1.918 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.013 2.039 4.020 1.00 0.09 C ATOM 839 CZ PHE A 54 -6.956 2.582 2.722 1.00 0.09 C ATOM 0 H PHE A 54 -4.885 -2.060 4.839 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.558 -0.882 2.409 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.754 0.078 5.305 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.703 0.810 4.109 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.868 1.445 1.799 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.978 0.868 5.513 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.775 2.782 0.922 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.885 2.203 4.635 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.784 3.163 2.343 1.00 0.09 H new ATOM 849 N LEU A 55 -1.333 -1.885 3.002 1.00 0.08 N ATOM 850 CA LEU A 55 -0.047 -2.591 3.309 1.00 0.09 C ATOM 851 C LEU A 55 1.089 -1.563 3.334 1.00 0.09 C ATOM 852 O LEU A 55 0.914 -0.418 2.968 1.00 0.10 O ATOM 853 CB LEU A 55 0.243 -3.633 2.213 1.00 0.10 C ATOM 854 CG LEU A 55 -0.531 -4.935 2.471 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.024 -4.649 2.684 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.353 -5.859 1.261 1.00 0.12 C ATOM 0 H LEU A 55 -1.383 -1.479 2.068 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.124 -3.090 4.275 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.034 -3.228 1.239 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.312 -3.842 2.179 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.143 -5.409 3.372 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.552 -5.585 2.865 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.149 -3.990 3.543 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.433 -4.168 1.795 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.897 -6.788 1.430 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.741 -5.368 0.368 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.706 -6.079 1.123 1.00 0.12 H new ATOM 868 N GLU A 56 2.254 -1.973 3.757 1.00 0.09 N ATOM 869 CA GLU A 56 3.422 -1.039 3.804 1.00 0.09 C ATOM 870 C GLU A 56 4.678 -1.831 3.435 1.00 0.09 C ATOM 871 O GLU A 56 4.840 -2.964 3.843 1.00 0.10 O ATOM 872 CB GLU A 56 3.560 -0.467 5.222 1.00 0.09 C ATOM 873 CG GLU A 56 4.555 0.701 5.222 1.00 0.11 C ATOM 874 CD GLU A 56 4.382 1.521 6.504 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.248 1.720 6.909 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.386 1.941 7.056 1.00 1.24 O ATOM 0 H GLU A 56 2.451 -2.922 4.075 1.00 0.09 H new ATOM 0 HA GLU A 56 3.282 -0.214 3.106 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.589 -0.128 5.582 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.900 -1.245 5.905 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.575 0.323 5.154 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.390 1.333 4.349 1.00 0.11 H new ATOM 883 N VAL A 57 5.555 -1.262 2.641 1.00 0.08 N ATOM 884 CA VAL A 57 6.790 -2.004 2.219 1.00 0.08 C ATOM 885 C VAL A 57 8.026 -1.107 2.340 1.00 0.09 C ATOM 886 O VAL A 57 8.012 0.053 1.970 1.00 0.14 O ATOM 887 CB VAL A 57 6.646 -2.435 0.751 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.959 -3.073 0.276 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.504 -3.450 0.604 1.00 0.09 C ATOM 0 H VAL A 57 5.470 -0.317 2.267 1.00 0.08 H new ATOM 0 HA VAL A 57 6.909 -2.873 2.866 1.00 0.08 H new ATOM 0 HB VAL A 57 6.420 -1.558 0.145 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.859 -3.379 -0.765 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.769 -2.349 0.365 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.183 -3.945 0.891 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.413 -3.747 -0.441 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.717 -4.328 1.213 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.570 -2.997 0.935 1.00 0.09 H new ATOM 899 N ASP A 58 9.111 -1.663 2.831 1.00 0.09 N ATOM 900 CA ASP A 58 10.384 -0.888 2.958 1.00 0.09 C ATOM 901 C ASP A 58 11.293 -1.283 1.788 1.00 0.10 C ATOM 902 O ASP A 58 11.935 -2.315 1.807 1.00 0.11 O ATOM 903 CB ASP A 58 11.068 -1.234 4.287 1.00 0.11 C ATOM 904 CG ASP A 58 12.092 -0.151 4.636 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.678 0.903 5.092 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.271 -0.393 4.441 1.00 1.08 O ATOM 0 H ASP A 58 9.167 -2.630 3.151 1.00 0.09 H new ATOM 0 HA ASP A 58 10.183 0.183 2.938 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.324 -1.314 5.080 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.560 -2.204 4.212 1.00 0.11 H new ATOM 911 N VAL A 59 11.328 -0.483 0.763 1.00 0.12 N ATOM 912 CA VAL A 59 12.164 -0.811 -0.430 1.00 0.15 C ATOM 913 C VAL A 59 13.622 -1.075 -0.034 1.00 0.18 C ATOM 914 O VAL A 59 14.396 -1.574 -0.825 1.00 0.27 O ATOM 915 CB VAL A 59 12.120 0.370 -1.400 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.717 0.487 -1.996 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.460 1.660 -0.650 1.00 0.22 C ATOM 0 H VAL A 59 10.810 0.393 0.696 1.00 0.12 H new ATOM 0 HA VAL A 59 11.766 -1.713 -0.895 1.00 0.15 H new ATOM 0 HB VAL A 59 12.845 0.210 -2.198 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.685 1.329 -2.688 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.471 -0.431 -2.530 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.994 0.647 -1.196 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.429 2.502 -1.342 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.735 1.819 0.148 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.459 1.579 -0.222 1.00 0.22 H new ATOM 927 N ASP A 60 14.015 -0.735 1.168 1.00 0.16 N ATOM 928 CA ASP A 60 15.442 -0.948 1.584 1.00 0.18 C ATOM 929 C ASP A 60 15.591 -2.214 2.432 1.00 0.17 C ATOM 930 O ASP A 60 16.512 -2.985 2.247 1.00 0.18 O ATOM 931 CB ASP A 60 15.899 0.252 2.412 1.00 0.21 C ATOM 932 CG ASP A 60 15.610 1.546 1.648 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.208 1.740 0.604 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.797 2.322 2.122 1.00 1.08 O ATOM 0 H ASP A 60 13.414 -0.320 1.880 1.00 0.16 H new ATOM 0 HA ASP A 60 16.050 -1.058 0.686 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.382 0.262 3.372 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.965 0.174 2.625 1.00 0.21 H new ATOM 939 N ASP A 61 14.716 -2.428 3.374 1.00 0.17 N ATOM 940 CA ASP A 61 14.835 -3.636 4.247 1.00 0.17 C ATOM 941 C ASP A 61 14.028 -4.794 3.642 1.00 0.16 C ATOM 942 O ASP A 61 14.147 -5.927 4.066 1.00 0.18 O ATOM 943 CB ASP A 61 14.323 -3.280 5.653 1.00 0.19 C ATOM 944 CG ASP A 61 13.960 -4.549 6.436 1.00 0.22 C ATOM 945 OD1 ASP A 61 12.859 -5.041 6.252 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.790 -5.005 7.205 1.00 1.12 O ATOM 0 H ASP A 61 13.923 -1.821 3.580 1.00 0.17 H new ATOM 0 HA ASP A 61 15.876 -3.953 4.318 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.087 -2.720 6.192 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.449 -2.633 5.574 1.00 0.19 H new ATOM 951 N ALA A 62 13.225 -4.520 2.644 1.00 0.16 N ATOM 952 CA ALA A 62 12.420 -5.599 1.983 1.00 0.16 C ATOM 953 C ALA A 62 12.714 -5.575 0.482 1.00 0.16 C ATOM 954 O ALA A 62 11.820 -5.616 -0.340 1.00 0.15 O ATOM 955 CB ALA A 62 10.927 -5.350 2.218 1.00 0.17 C ATOM 0 H ALA A 62 13.090 -3.587 2.254 1.00 0.16 H new ATOM 0 HA ALA A 62 12.686 -6.570 2.402 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.347 -6.137 1.736 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.722 -5.352 3.289 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.649 -4.384 1.797 1.00 0.17 H new ATOM 961 N GLN A 63 13.968 -5.496 0.123 1.00 0.20 N ATOM 962 CA GLN A 63 14.339 -5.456 -1.320 1.00 0.22 C ATOM 963 C GLN A 63 13.753 -6.666 -2.048 1.00 0.20 C ATOM 964 O GLN A 63 13.686 -6.697 -3.260 1.00 0.20 O ATOM 965 CB GLN A 63 15.863 -5.469 -1.451 1.00 0.29 C ATOM 966 CG GLN A 63 16.460 -4.391 -0.545 1.00 0.90 C ATOM 967 CD GLN A 63 17.955 -4.248 -0.834 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.343 -3.926 -1.939 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.815 -4.477 0.119 1.00 2.22 N ATOM 0 H GLN A 63 14.754 -5.457 0.771 1.00 0.20 H new ATOM 0 HA GLN A 63 13.938 -4.546 -1.767 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.254 -6.448 -1.176 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.152 -5.290 -2.487 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.954 -3.440 -0.713 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.305 -4.654 0.501 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.488 -4.747 1.047 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.814 -4.386 -0.063 1.00 2.22 H new ATOM 978 N ASP A 64 13.323 -7.663 -1.325 1.00 0.19 N ATOM 979 CA ASP A 64 12.740 -8.858 -1.991 1.00 0.20 C ATOM 980 C ASP A 64 11.393 -8.477 -2.607 1.00 0.17 C ATOM 981 O ASP A 64 11.057 -8.894 -3.697 1.00 0.19 O ATOM 982 CB ASP A 64 12.544 -9.978 -0.964 1.00 0.22 C ATOM 983 CG ASP A 64 11.996 -9.398 0.344 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.723 -8.209 0.377 1.00 1.11 O ATOM 985 OD2 ASP A 64 11.858 -10.154 1.291 1.00 1.09 O ATOM 0 H ASP A 64 13.350 -7.701 -0.306 1.00 0.19 H new ATOM 0 HA ASP A 64 13.414 -9.209 -2.773 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.855 -10.726 -1.356 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.492 -10.483 -0.779 1.00 0.22 H new ATOM 990 N VAL A 65 10.624 -7.676 -1.922 1.00 0.15 N ATOM 991 CA VAL A 65 9.307 -7.258 -2.477 1.00 0.16 C ATOM 992 C VAL A 65 9.544 -6.239 -3.593 1.00 0.16 C ATOM 993 O VAL A 65 8.980 -6.336 -4.665 1.00 0.19 O ATOM 994 CB VAL A 65 8.462 -6.625 -1.372 1.00 0.16 C ATOM 995 CG1 VAL A 65 7.023 -6.456 -1.863 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.474 -7.530 -0.138 1.00 0.18 C ATOM 0 H VAL A 65 10.851 -7.294 -1.004 1.00 0.15 H new ATOM 0 HA VAL A 65 8.779 -8.125 -2.874 1.00 0.16 H new ATOM 0 HB VAL A 65 8.876 -5.650 -1.113 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.420 -6.005 -1.075 1.00 0.19 H new ATOM 0 HG12 VAL A 65 7.012 -5.812 -2.742 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.610 -7.431 -2.122 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.871 -7.079 0.650 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.061 -8.505 -0.398 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.498 -7.652 0.214 1.00 0.18 H new ATOM 1006 N ALA A 66 10.385 -5.269 -3.353 1.00 0.16 N ATOM 1007 CA ALA A 66 10.671 -4.253 -4.405 1.00 0.18 C ATOM 1008 C ALA A 66 11.305 -4.952 -5.607 1.00 0.19 C ATOM 1009 O ALA A 66 11.120 -4.554 -6.740 1.00 0.20 O ATOM 1010 CB ALA A 66 11.638 -3.202 -3.855 1.00 0.22 C ATOM 0 H ALA A 66 10.886 -5.137 -2.474 1.00 0.16 H new ATOM 0 HA ALA A 66 9.745 -3.763 -4.707 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.846 -2.460 -4.626 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.190 -2.712 -2.991 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.568 -3.685 -3.556 1.00 0.22 H new ATOM 1016 N SER A 67 12.051 -5.996 -5.367 1.00 0.21 N ATOM 1017 CA SER A 67 12.694 -6.728 -6.493 1.00 0.26 C ATOM 1018 C SER A 67 11.609 -7.344 -7.378 1.00 0.26 C ATOM 1019 O SER A 67 11.546 -7.096 -8.566 1.00 0.29 O ATOM 1020 CB SER A 67 13.589 -7.836 -5.937 1.00 0.31 C ATOM 1021 OG SER A 67 14.737 -7.253 -5.334 1.00 1.29 O ATOM 0 H SER A 67 12.243 -6.373 -4.439 1.00 0.21 H new ATOM 0 HA SER A 67 13.298 -6.037 -7.081 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.041 -8.429 -5.205 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.888 -8.514 -6.737 1.00 0.31 H new ATOM 0 HG SER A 67 14.602 -7.191 -4.365 1.00 1.29 H new ATOM 1027 N GLU A 68 10.750 -8.143 -6.805 1.00 0.26 N ATOM 1028 CA GLU A 68 9.666 -8.772 -7.610 1.00 0.30 C ATOM 1029 C GLU A 68 8.747 -7.681 -8.163 1.00 0.31 C ATOM 1030 O GLU A 68 8.178 -7.815 -9.228 1.00 0.36 O ATOM 1031 CB GLU A 68 8.858 -9.720 -6.721 1.00 0.31 C ATOM 1032 CG GLU A 68 7.940 -10.580 -7.592 1.00 0.39 C ATOM 1033 CD GLU A 68 7.003 -11.395 -6.699 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.108 -10.805 -6.119 1.00 2.19 O ATOM 1035 OE2 GLU A 68 7.199 -12.596 -6.609 1.00 2.20 O ATOM 0 H GLU A 68 10.753 -8.387 -5.815 1.00 0.26 H new ATOM 0 HA GLU A 68 10.102 -9.333 -8.436 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.530 -10.356 -6.144 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.267 -9.149 -6.005 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.360 -9.946 -8.263 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.534 -11.246 -8.217 1.00 0.39 H new ATOM 1042 N ALA A 69 8.599 -6.597 -7.446 1.00 0.29 N ATOM 1043 CA ALA A 69 7.718 -5.492 -7.926 1.00 0.31 C ATOM 1044 C ALA A 69 8.535 -4.538 -8.804 1.00 0.29 C ATOM 1045 O ALA A 69 8.005 -3.633 -9.417 1.00 0.33 O ATOM 1046 CB ALA A 69 7.160 -4.731 -6.721 1.00 0.31 C ATOM 0 H ALA A 69 9.051 -6.430 -6.547 1.00 0.29 H new ATOM 0 HA ALA A 69 6.894 -5.904 -8.508 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.516 -3.923 -7.068 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.583 -5.412 -6.096 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.983 -4.315 -6.140 1.00 0.31 H new ATOM 1052 N GLU A 70 9.821 -4.744 -8.874 1.00 0.27 N ATOM 1053 CA GLU A 70 10.680 -3.861 -9.717 1.00 0.29 C ATOM 1054 C GLU A 70 10.315 -2.389 -9.492 1.00 0.25 C ATOM 1055 O GLU A 70 10.083 -1.649 -10.428 1.00 0.26 O ATOM 1056 CB GLU A 70 10.477 -4.218 -11.191 1.00 0.38 C ATOM 1057 CG GLU A 70 10.699 -5.719 -11.387 1.00 1.18 C ATOM 1058 CD GLU A 70 10.788 -6.035 -12.881 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.870 -5.905 -13.430 1.00 2.34 O ATOM 1060 OE2 GLU A 70 9.774 -6.401 -13.451 1.00 2.06 O ATOM 0 H GLU A 70 10.317 -5.488 -8.383 1.00 0.27 H new ATOM 0 HA GLU A 70 11.723 -4.010 -9.439 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.471 -3.944 -11.507 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.172 -3.653 -11.812 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.615 -6.030 -10.884 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.881 -6.280 -10.935 1.00 1.18 H new ATOM 1067 N VAL A 71 10.274 -1.955 -8.262 1.00 0.22 N ATOM 1068 CA VAL A 71 9.936 -0.528 -7.982 1.00 0.19 C ATOM 1069 C VAL A 71 11.176 0.338 -8.221 1.00 0.23 C ATOM 1070 O VAL A 71 12.270 -0.012 -7.826 1.00 0.28 O ATOM 1071 CB VAL A 71 9.484 -0.387 -6.532 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.936 1.023 -6.313 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.382 -1.409 -6.247 1.00 0.19 C ATOM 0 H VAL A 71 10.460 -2.526 -7.438 1.00 0.22 H new ATOM 0 HA VAL A 71 9.131 -0.204 -8.642 1.00 0.19 H new ATOM 0 HB VAL A 71 10.327 -0.561 -5.863 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.611 1.130 -5.278 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.716 1.754 -6.526 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.089 1.192 -6.978 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.055 -1.313 -5.212 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.538 -1.229 -6.912 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.767 -2.415 -6.414 1.00 0.19 H new ATOM 1083 N LYS A 72 11.012 1.465 -8.874 1.00 0.24 N ATOM 1084 CA LYS A 72 12.178 2.364 -9.156 1.00 0.29 C ATOM 1085 C LYS A 72 11.838 3.799 -8.741 1.00 0.26 C ATOM 1086 O LYS A 72 12.626 4.705 -8.919 1.00 0.27 O ATOM 1087 CB LYS A 72 12.486 2.331 -10.655 1.00 0.35 C ATOM 1088 CG LYS A 72 13.117 0.986 -11.021 1.00 0.43 C ATOM 1089 CD LYS A 72 13.152 0.838 -12.545 1.00 1.16 C ATOM 1090 CE LYS A 72 14.013 -0.368 -12.936 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.295 -0.319 -14.398 1.00 2.40 N ATOM 0 H LYS A 72 10.116 1.802 -9.226 1.00 0.24 H new ATOM 0 HA LYS A 72 13.045 2.022 -8.591 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.571 2.482 -11.228 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.163 3.144 -10.915 1.00 0.35 H new ATOM 0 HG2 LYS A 72 14.127 0.923 -10.615 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.544 0.171 -10.579 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.140 0.712 -12.930 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.555 1.744 -12.997 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.947 -0.360 -12.374 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.497 -1.295 -12.684 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.879 -1.136 -14.666 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.399 -0.346 -14.925 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.804 0.559 -14.624 1.00 2.40 H new ATOM 1105 N ALA A 73 10.674 4.018 -8.189 1.00 0.22 N ATOM 1106 CA ALA A 73 10.298 5.405 -7.766 1.00 0.20 C ATOM 1107 C ALA A 73 9.311 5.333 -6.597 1.00 0.18 C ATOM 1108 O ALA A 73 8.298 4.678 -6.687 1.00 0.16 O ATOM 1109 CB ALA A 73 9.655 6.141 -8.957 1.00 0.21 C ATOM 0 H ALA A 73 9.969 3.303 -8.012 1.00 0.22 H new ATOM 0 HA ALA A 73 11.187 5.948 -7.446 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.379 7.151 -8.655 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.367 6.190 -9.781 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.764 5.603 -9.279 1.00 0.21 H new ATOM 1115 N THR A 74 9.594 6.010 -5.506 1.00 0.18 N ATOM 1116 CA THR A 74 8.661 5.981 -4.326 1.00 0.17 C ATOM 1117 C THR A 74 8.022 7.372 -4.162 1.00 0.17 C ATOM 1118 O THR A 74 8.649 8.358 -4.491 1.00 0.19 O ATOM 1119 CB THR A 74 9.466 5.658 -3.051 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.467 6.646 -2.872 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.140 4.279 -3.159 1.00 0.19 C ATOM 0 H THR A 74 10.430 6.581 -5.380 1.00 0.18 H new ATOM 0 HA THR A 74 7.891 5.226 -4.484 1.00 0.17 H new ATOM 0 HB THR A 74 8.781 5.647 -2.203 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.981 6.447 -2.062 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.701 4.076 -2.247 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.378 3.511 -3.295 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.819 4.272 -4.012 1.00 0.19 H new ATOM 1129 N PRO A 75 6.808 7.443 -3.634 1.00 0.17 N ATOM 1130 CA PRO A 75 5.992 6.275 -3.211 1.00 0.16 C ATOM 1131 C PRO A 75 5.341 5.607 -4.432 1.00 0.14 C ATOM 1132 O PRO A 75 4.887 6.275 -5.340 1.00 0.14 O ATOM 1133 CB PRO A 75 4.907 6.887 -2.293 1.00 0.17 C ATOM 1134 CG PRO A 75 4.933 8.428 -2.516 1.00 0.20 C ATOM 1135 CD PRO A 75 6.167 8.747 -3.391 1.00 0.19 C ATOM 0 HA PRO A 75 6.584 5.508 -2.712 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.925 6.480 -2.533 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.105 6.646 -1.249 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.018 8.760 -3.007 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.992 8.953 -1.563 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.875 9.224 -4.327 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.845 9.432 -2.882 1.00 0.19 H new ATOM 1143 N THR A 76 5.272 4.293 -4.445 1.00 0.13 N ATOM 1144 CA THR A 76 4.623 3.577 -5.596 1.00 0.12 C ATOM 1145 C THR A 76 3.347 2.916 -5.085 1.00 0.12 C ATOM 1146 O THR A 76 3.394 2.013 -4.275 1.00 0.18 O ATOM 1147 CB THR A 76 5.563 2.487 -6.147 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.896 2.958 -6.107 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.188 2.160 -7.596 1.00 0.13 C ATOM 0 H THR A 76 5.636 3.687 -3.710 1.00 0.13 H new ATOM 0 HA THR A 76 4.403 4.288 -6.392 1.00 0.12 H new ATOM 0 HB THR A 76 5.468 1.588 -5.538 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.933 3.867 -6.470 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.856 1.389 -7.980 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.160 1.801 -7.633 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.281 3.058 -8.207 1.00 0.13 H new ATOM 1157 N PHE A 77 2.202 3.345 -5.544 1.00 0.09 N ATOM 1158 CA PHE A 77 0.940 2.712 -5.065 1.00 0.09 C ATOM 1159 C PHE A 77 0.597 1.543 -5.969 1.00 0.09 C ATOM 1160 O PHE A 77 0.484 1.675 -7.170 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.198 3.726 -5.067 1.00 0.10 C ATOM 1162 CG PHE A 77 0.099 4.766 -4.027 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.092 4.457 -2.671 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.575 6.035 -4.407 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.189 5.421 -1.686 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.857 7.001 -3.424 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.664 6.697 -2.063 1.00 0.12 C ATOM 0 H PHE A 77 2.086 4.098 -6.222 1.00 0.09 H new ATOM 0 HA PHE A 77 1.080 2.357 -4.044 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.294 4.188 -6.050 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.146 3.234 -4.852 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.454 3.481 -2.385 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.723 6.267 -5.451 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.042 5.186 -0.642 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.221 7.976 -3.713 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.879 7.439 -1.308 1.00 0.12 H new ATOM 1177 N GLN A 78 0.444 0.394 -5.382 1.00 0.07 N ATOM 1178 CA GLN A 78 0.118 -0.832 -6.155 1.00 0.07 C ATOM 1179 C GLN A 78 -1.181 -1.402 -5.603 1.00 0.06 C ATOM 1180 O GLN A 78 -1.369 -1.490 -4.406 1.00 0.07 O ATOM 1181 CB GLN A 78 1.258 -1.830 -5.963 1.00 0.08 C ATOM 1182 CG GLN A 78 2.589 -1.124 -6.215 1.00 0.12 C ATOM 1183 CD GLN A 78 3.703 -2.161 -6.357 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.506 -3.325 -6.070 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.874 -1.784 -6.789 1.00 1.03 N ATOM 0 H GLN A 78 0.533 0.249 -4.376 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.000 -0.619 -7.217 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.234 -2.238 -4.952 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.142 -2.670 -6.648 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.525 -0.519 -7.119 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.813 -0.445 -5.392 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.038 -0.807 -7.030 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.626 -2.467 -6.886 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.091 -1.762 -6.467 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.407 -2.298 -6.005 1.00 0.07 C ATOM 1196 C PHE A 79 -3.483 -3.795 -6.273 1.00 0.07 C ATOM 1197 O PHE A 79 -3.260 -4.258 -7.374 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.529 -1.580 -6.760 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.533 -0.123 -6.358 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.490 0.718 -6.775 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.565 0.388 -5.555 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.475 2.073 -6.396 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.554 1.740 -5.166 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.510 2.584 -5.586 1.00 0.11 C ATOM 0 H PHE A 79 -1.980 -1.708 -7.480 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.514 -2.128 -4.934 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.380 -1.674 -7.836 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.491 -2.037 -6.530 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.695 0.323 -7.390 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.369 -0.258 -5.235 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.674 2.719 -6.724 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.347 2.130 -4.545 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.501 3.622 -5.288 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.810 -4.550 -5.259 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.928 -6.029 -5.401 1.00 0.08 C ATOM 1216 C PHE A 80 -5.307 -6.440 -4.898 1.00 0.11 C ATOM 1217 O PHE A 80 -5.919 -5.750 -4.106 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.850 -6.714 -4.557 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.496 -6.517 -5.203 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.079 -7.369 -6.244 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.647 -5.485 -4.758 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.186 -7.187 -6.840 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.615 -5.304 -5.352 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.032 -6.154 -6.392 1.00 0.14 C ATOM 0 H PHE A 80 -4.004 -4.197 -4.322 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.799 -6.323 -6.443 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.846 -6.300 -3.549 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.068 -7.778 -4.464 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.728 -8.162 -6.586 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.966 -4.832 -3.959 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.506 -7.839 -7.639 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.264 -4.512 -5.009 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.001 -6.015 -6.847 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.812 -7.546 -5.357 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.160 -7.984 -4.906 1.00 0.14 C ATOM 1236 C LYS A 81 -7.256 -9.496 -5.089 1.00 0.14 C ATOM 1237 O LYS A 81 -7.010 -10.008 -6.159 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.221 -7.267 -5.757 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.577 -7.256 -5.033 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.497 -6.212 -5.681 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.741 -6.016 -4.814 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.357 -5.405 -3.511 1.00 1.48 N ATOM 0 H LYS A 81 -5.352 -8.166 -6.024 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.325 -7.737 -3.857 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.902 -6.245 -5.960 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.321 -7.767 -6.721 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.037 -8.243 -5.085 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.435 -7.026 -3.977 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.967 -5.266 -5.794 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.786 -6.537 -6.681 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.457 -5.376 -5.329 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.233 -6.974 -4.646 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -11.930 -5.822 -2.750 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -10.350 -5.587 -3.326 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.523 -4.379 -3.547 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.587 -10.211 -4.050 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.674 -11.693 -4.163 1.00 0.20 C ATOM 1258 C LYS A 82 -6.337 -12.249 -4.668 1.00 0.20 C ATOM 1259 O LYS A 82 -6.260 -13.361 -5.151 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.800 -12.083 -5.137 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.153 -12.025 -4.422 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.267 -12.373 -5.412 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.622 -11.976 -4.822 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.713 -12.596 -5.625 1.00 1.67 N ATOM 0 H LYS A 82 -7.801 -9.833 -3.127 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.894 -12.113 -3.182 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.802 -11.408 -5.993 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.626 -13.087 -5.524 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.164 -12.723 -3.585 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.316 -11.029 -4.009 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -11.104 -11.853 -6.356 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.253 -13.441 -5.630 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.689 -12.303 -3.784 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.727 -10.891 -4.822 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.634 -12.327 -5.225 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.652 -12.263 -6.609 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.615 -13.631 -5.603 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.277 -11.490 -4.549 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.942 -11.982 -5.010 1.00 0.21 C ATOM 1280 C GLY A 83 -3.690 -11.556 -6.458 1.00 0.19 C ATOM 1281 O GLY A 83 -2.669 -11.875 -7.034 1.00 0.22 O ATOM 0 H GLY A 83 -5.278 -10.550 -4.152 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.158 -11.585 -4.365 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.900 -13.068 -4.931 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.614 -10.841 -7.053 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.434 -10.393 -8.476 1.00 0.17 C ATOM 1287 C GLN A 84 -4.218 -8.878 -8.532 1.00 0.16 C ATOM 1288 O GLN A 84 -4.738 -8.132 -7.728 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.688 -10.741 -9.279 1.00 0.19 C ATOM 1290 CG GLN A 84 -6.112 -12.184 -8.982 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.917 -13.124 -9.159 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.305 -13.585 -8.102 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.537 -13.442 -10.268 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.487 -10.546 -6.616 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.564 -10.898 -8.896 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.496 -10.055 -9.024 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.493 -10.622 -10.345 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -6.496 -12.257 -7.965 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.921 -12.480 -9.650 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -5.015 -13.082 -11.094 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.740 -14.069 -10.373 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.451 -8.422 -9.491 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.192 -6.958 -9.628 1.00 0.17 C ATOM 1304 C LYS A 85 -4.284 -6.329 -10.493 1.00 0.16 C ATOM 1305 O LYS A 85 -4.785 -6.946 -11.413 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.831 -6.739 -10.290 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.614 -5.237 -10.534 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.121 -4.944 -10.718 1.00 0.30 C ATOM 1309 CE LYS A 85 0.380 -5.600 -12.006 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.771 -5.146 -12.284 1.00 1.70 N ATOM 0 H LYS A 85 -2.991 -9.006 -10.189 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.194 -6.495 -8.641 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -1.038 -7.133 -9.654 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.782 -7.282 -11.234 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.166 -4.921 -11.419 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -2.004 -4.664 -9.693 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.046 -3.868 -10.758 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.441 -5.322 -9.864 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.353 -6.685 -11.909 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.273 -5.338 -12.838 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.113 -5.591 -13.159 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.783 -4.112 -12.394 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.389 -5.417 -11.493 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.662 -5.105 -10.204 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.733 -4.424 -11.004 1.00 0.16 C ATOM 1326 C VAL A 86 -5.246 -3.050 -11.481 1.00 0.18 C ATOM 1327 O VAL A 86 -5.724 -2.531 -12.471 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.976 -4.245 -10.132 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.570 -5.615 -9.799 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.592 -3.529 -8.836 1.00 0.17 C ATOM 0 H VAL A 86 -4.273 -4.546 -9.445 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.972 -5.037 -11.873 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.713 -3.651 -10.672 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.456 -5.486 -9.177 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.845 -6.126 -10.722 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.832 -6.210 -9.261 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.478 -3.401 -8.214 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.853 -4.123 -8.297 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.170 -2.552 -9.071 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.309 -2.447 -10.796 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.822 -1.106 -11.239 1.00 0.18 C ATOM 1342 C GLY A 87 -2.644 -0.651 -10.375 1.00 0.10 C ATOM 1343 O GLY A 87 -2.229 -1.332 -9.458 1.00 0.08 O ATOM 0 H GLY A 87 -3.864 -2.820 -9.958 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.518 -1.150 -12.285 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.631 -0.379 -11.173 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.102 0.506 -10.664 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.952 1.019 -9.865 1.00 0.10 C ATOM 1349 C GLU A 88 -0.597 2.435 -10.312 1.00 0.10 C ATOM 1350 O GLU A 88 -0.846 2.825 -11.436 1.00 0.11 O ATOM 1351 CB GLU A 88 0.259 0.106 -10.070 1.00 0.17 C ATOM 1352 CG GLU A 88 0.450 -0.170 -11.562 1.00 0.25 C ATOM 1353 CD GLU A 88 1.755 -0.939 -11.774 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.232 -1.533 -10.821 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.257 -0.921 -12.887 1.00 2.04 O ATOM 0 H GLU A 88 -2.409 1.117 -11.421 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.229 1.033 -8.811 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.153 0.575 -9.660 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.115 -0.831 -9.532 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.391 -0.746 -11.947 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.474 0.768 -12.116 1.00 0.25 H new ATOM 1362 N PHE A 89 0.004 3.206 -9.444 1.00 0.09 N ATOM 1363 CA PHE A 89 0.395 4.591 -9.832 1.00 0.09 C ATOM 1364 C PHE A 89 1.338 5.194 -8.786 1.00 0.09 C ATOM 1365 O PHE A 89 1.088 5.147 -7.603 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.855 5.479 -10.028 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.461 5.913 -8.704 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.817 6.885 -7.907 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.688 5.360 -8.276 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.396 7.295 -6.693 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.264 5.776 -7.060 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.619 6.743 -6.269 1.00 0.11 C ATOM 0 H PHE A 89 0.239 2.938 -8.489 1.00 0.09 H new ATOM 0 HA PHE A 89 0.926 4.546 -10.783 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.585 6.361 -10.609 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.600 4.932 -10.606 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.120 7.313 -8.230 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.185 4.617 -8.882 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.900 8.036 -6.084 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.202 5.352 -6.735 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.062 7.062 -5.337 1.00 0.11 H new ATOM 1382 N SER A 90 2.431 5.770 -9.228 1.00 0.13 N ATOM 1383 CA SER A 90 3.409 6.394 -8.278 1.00 0.14 C ATOM 1384 C SER A 90 3.259 7.913 -8.344 1.00 0.14 C ATOM 1385 O SER A 90 2.349 8.430 -8.961 1.00 0.17 O ATOM 1386 CB SER A 90 4.831 6.013 -8.692 1.00 0.15 C ATOM 1387 OG SER A 90 5.257 6.865 -9.748 1.00 0.16 O ATOM 0 H SER A 90 2.690 5.835 -10.212 1.00 0.13 H new ATOM 0 HA SER A 90 3.217 6.042 -7.264 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.506 6.104 -7.841 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.862 4.972 -9.014 1.00 0.15 H new ATOM 0 HG SER A 90 6.065 7.347 -9.474 1.00 0.16 H new ATOM 1393 N GLY A 91 4.149 8.636 -7.721 1.00 0.12 N ATOM 1394 CA GLY A 91 4.060 10.127 -7.755 1.00 0.13 C ATOM 1395 C GLY A 91 3.179 10.619 -6.607 1.00 0.13 C ATOM 1396 O GLY A 91 2.095 10.118 -6.381 1.00 0.13 O ATOM 0 H GLY A 91 4.934 8.261 -7.190 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.056 10.562 -7.673 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.647 10.454 -8.709 1.00 0.13 H new ATOM 1400 N ALA A 92 3.639 11.597 -5.876 1.00 0.15 N ATOM 1401 CA ALA A 92 2.832 12.125 -4.737 1.00 0.17 C ATOM 1402 C ALA A 92 1.421 12.485 -5.199 1.00 0.15 C ATOM 1403 O ALA A 92 1.184 13.557 -5.721 1.00 0.16 O ATOM 1404 CB ALA A 92 3.498 13.380 -4.187 1.00 0.20 C ATOM 0 H ALA A 92 4.540 12.054 -6.018 1.00 0.15 H new ATOM 0 HA ALA A 92 2.773 11.355 -3.968 1.00 0.17 H new ATOM 0 HB1 ALA A 92 2.911 13.768 -3.355 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.502 13.137 -3.840 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.558 14.134 -4.972 1.00 0.20 H new ATOM 1410 N ASN A 93 0.476 11.609 -4.993 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.932 11.904 -5.395 1.00 0.13 C ATOM 1412 C ASN A 93 -1.864 11.334 -4.321 1.00 0.12 C ATOM 1413 O ASN A 93 -2.606 10.399 -4.549 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.219 11.262 -6.757 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.407 11.962 -7.418 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.225 12.666 -6.684 1.00 1.04 O flip ATOM 1417 ND2 ASN A 93 -2.593 11.869 -8.615 1.00 1.15 N flip ATOM 0 H ASN A 93 0.618 10.696 -4.561 1.00 0.14 H new ATOM 0 HA ASN A 93 -1.092 12.979 -5.484 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.340 11.335 -7.397 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.434 10.201 -6.631 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -1.954 11.319 -9.189 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.388 12.341 -9.046 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.804 11.889 -3.143 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.650 11.401 -2.012 1.00 0.20 C ATOM 1426 C LYS A 94 -4.140 11.541 -2.345 1.00 0.18 C ATOM 1427 O LYS A 94 -4.940 10.695 -1.999 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.323 12.229 -0.762 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.106 13.692 -1.176 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.110 14.603 0.056 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.819 14.404 0.856 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.679 15.505 1.851 1.00 1.19 N ATOM 0 H LYS A 94 -1.195 12.673 -2.910 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.438 10.346 -1.836 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.136 12.158 -0.040 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.429 11.839 -0.275 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.158 13.790 -1.705 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.890 14.001 -1.867 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.201 15.645 -0.252 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.974 14.379 0.682 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.838 13.440 1.364 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.040 14.394 0.185 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.330 15.691 2.024 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.132 16.366 1.482 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.137 15.228 2.742 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.524 12.599 -2.996 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.964 12.783 -3.324 1.00 0.20 C ATOM 1448 C GLU A 95 -6.416 11.691 -4.298 1.00 0.17 C ATOM 1449 O GLU A 95 -7.567 11.303 -4.320 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.153 14.154 -3.971 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.838 15.250 -2.953 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.952 15.315 -1.907 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -8.012 15.825 -2.231 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.726 14.853 -0.801 1.00 1.86 O ATOM 0 H GLU A 95 -3.905 13.344 -3.316 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.559 12.717 -2.413 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.500 14.251 -4.838 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.177 14.260 -4.329 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.883 15.047 -2.469 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.742 16.212 -3.457 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.520 11.197 -5.103 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.890 10.133 -6.075 1.00 0.14 C ATOM 1463 C LYS A 96 -6.173 8.832 -5.327 1.00 0.12 C ATOM 1464 O LYS A 96 -7.010 8.054 -5.726 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.747 9.934 -7.076 1.00 0.16 C ATOM 1466 CG LYS A 96 -5.017 8.703 -7.955 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.983 8.628 -9.096 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.443 9.469 -10.294 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.720 8.919 -10.826 1.00 2.05 N ATOM 0 H LYS A 96 -4.542 11.486 -5.130 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.788 10.429 -6.618 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.644 10.821 -7.702 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.805 9.809 -6.542 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.969 7.797 -7.350 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -6.024 8.756 -8.369 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.016 8.986 -8.743 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.846 7.591 -9.403 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.580 10.507 -9.992 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.679 9.461 -11.072 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.763 9.073 -11.854 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.769 7.900 -10.626 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.522 9.400 -10.370 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.492 8.582 -4.239 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.756 7.322 -3.484 1.00 0.11 C ATOM 1485 C LEU A 97 -7.260 7.204 -3.242 1.00 0.11 C ATOM 1486 O LEU A 97 -7.831 6.132 -3.295 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.039 7.366 -2.123 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.563 6.988 -2.279 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.848 7.275 -0.953 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.432 5.488 -2.649 1.00 0.13 C ATOM 0 H LEU A 97 -4.773 9.188 -3.844 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.391 6.471 -4.058 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.121 8.365 -1.695 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.524 6.681 -1.428 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.109 7.574 -3.078 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.794 7.012 -1.044 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.938 8.334 -0.713 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.303 6.683 -0.159 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.378 5.231 -2.757 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.875 4.879 -1.861 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.950 5.299 -3.589 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.897 8.304 -2.973 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.365 8.270 -2.718 1.00 0.14 C ATOM 1504 C GLU A 98 -10.103 7.902 -4.007 1.00 0.13 C ATOM 1505 O GLU A 98 -10.883 6.971 -4.047 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.833 9.645 -2.238 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.296 9.561 -1.802 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.721 10.892 -1.179 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.615 11.900 -1.857 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.146 10.879 -0.035 1.00 2.15 O ATOM 0 H GLU A 98 -7.467 9.227 -2.918 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.580 7.525 -1.952 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.213 9.982 -1.407 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.722 10.378 -3.037 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.929 9.330 -2.659 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.426 8.753 -1.082 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.867 8.637 -5.058 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.557 8.350 -6.348 1.00 0.14 C ATOM 1519 C ALA A 99 -10.233 6.931 -6.827 1.00 0.12 C ATOM 1520 O ALA A 99 -11.089 6.227 -7.316 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.094 9.357 -7.403 1.00 0.15 C ATOM 0 H ALA A 99 -9.223 9.428 -5.080 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.633 8.433 -6.197 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.596 9.151 -8.348 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.340 10.367 -7.075 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.016 9.272 -7.539 1.00 0.15 H new ATOM 1527 N THR A 100 -9.001 6.513 -6.707 1.00 0.11 N ATOM 1528 CA THR A 100 -8.621 5.147 -7.178 1.00 0.11 C ATOM 1529 C THR A 100 -9.305 4.077 -6.325 1.00 0.10 C ATOM 1530 O THR A 100 -9.867 3.130 -6.836 1.00 0.11 O ATOM 1531 CB THR A 100 -7.101 4.981 -7.081 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.467 6.051 -7.769 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.693 3.651 -7.715 1.00 0.12 C ATOM 0 H THR A 100 -8.240 7.058 -6.303 1.00 0.11 H new ATOM 0 HA THR A 100 -8.942 5.029 -8.213 1.00 0.11 H new ATOM 0 HB THR A 100 -6.797 4.991 -6.034 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.699 5.707 -8.272 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.612 3.532 -7.647 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.182 2.832 -7.188 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.994 3.640 -8.763 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.264 4.218 -5.031 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.915 3.205 -4.149 1.00 0.11 C ATOM 1543 C ILE A 101 -11.415 3.163 -4.461 1.00 0.13 C ATOM 1544 O ILE A 101 -11.979 2.111 -4.685 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.686 3.599 -2.680 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.210 3.336 -2.305 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.609 2.773 -1.770 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.811 4.157 -1.069 1.00 0.18 C ATOM 0 H ILE A 101 -8.809 4.990 -4.544 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.487 2.218 -4.324 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.912 4.657 -2.548 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.063 2.274 -2.106 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.564 3.595 -3.144 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.443 3.056 -0.730 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.649 2.964 -2.036 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.391 1.713 -1.897 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.768 3.958 -0.821 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.937 5.219 -1.281 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.444 3.878 -0.227 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.062 4.294 -4.480 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.523 4.313 -4.781 1.00 0.17 C ATOM 1562 C ASN A 102 -13.763 3.763 -6.190 1.00 0.18 C ATOM 1563 O ASN A 102 -14.864 3.396 -6.544 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.040 5.752 -4.702 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.570 5.749 -4.724 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.183 4.748 -5.040 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.217 6.834 -4.397 1.00 1.03 N ATOM 0 H ASN A 102 -11.644 5.207 -4.300 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.051 3.695 -4.055 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.680 6.229 -3.790 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.655 6.334 -5.539 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.237 6.842 -4.407 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.703 7.674 -4.132 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.739 3.714 -6.997 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.905 3.201 -8.387 1.00 0.18 C ATOM 1576 C GLU A 103 -12.989 1.671 -8.380 1.00 0.19 C ATOM 1577 O GLU A 103 -13.945 1.087 -8.847 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.699 3.636 -9.234 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.061 3.576 -10.721 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.872 4.051 -11.556 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.613 5.243 -11.561 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.238 3.213 -12.179 1.00 2.02 O ATOM 0 H GLU A 103 -11.793 4.007 -6.754 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.825 3.607 -8.809 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.399 4.649 -8.964 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.847 2.987 -9.031 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.330 2.557 -11.000 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.931 4.202 -10.920 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.976 1.020 -7.874 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.964 -0.473 -7.856 1.00 0.19 C ATOM 1591 C LEU A 104 -12.555 -0.997 -6.545 1.00 0.19 C ATOM 1592 O LEU A 104 -12.346 -2.136 -6.178 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.517 -0.955 -7.981 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.812 -0.198 -9.111 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.368 -0.687 -9.224 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.545 -0.446 -10.436 1.00 0.35 C ATOM 0 H LEU A 104 -11.150 1.461 -7.469 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.564 -0.846 -8.686 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.989 -0.797 -7.041 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.497 -2.026 -8.181 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.819 0.870 -8.892 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.864 -0.150 -10.027 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.848 -0.505 -8.284 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.362 -1.755 -9.442 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.041 0.094 -11.237 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.542 -1.513 -10.659 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.574 -0.096 -10.354 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.292 -0.188 -5.836 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.885 -0.672 -4.558 1.00 0.22 C ATOM 1610 C VAL A 105 -14.885 -1.791 -4.857 1.00 0.26 C ATOM 1611 O VAL A 105 -15.392 -1.826 -5.965 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.601 0.480 -3.850 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.707 1.030 -4.751 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.215 -0.030 -2.544 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.124 -2.596 -3.972 1.00 1.18 O ATOM 0 H VAL A 105 -13.508 0.778 -6.083 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.093 -1.051 -3.912 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.885 1.272 -3.633 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.215 1.850 -4.244 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.271 1.393 -5.682 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.424 0.239 -4.971 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.726 0.789 -2.038 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.930 -0.823 -2.763 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.427 -0.420 -1.899 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.640 1.489 6.772 1.00 0.00 N ATOM 1627 CA PHE B 1 22.557 1.757 5.309 1.00 0.00 C ATOM 1628 C PHE B 1 21.237 1.198 4.768 1.00 0.00 C ATOM 1629 O PHE B 1 21.057 0.001 4.655 1.00 0.00 O ATOM 1630 CB PHE B 1 23.747 1.088 4.604 1.00 0.00 C ATOM 1631 CG PHE B 1 23.503 1.023 3.110 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.509 2.205 2.345 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.266 -0.218 2.486 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.279 2.147 0.957 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.036 -0.277 1.098 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.043 0.906 0.333 1.00 0.00 C ATOM 0 H1 PHE B 1 23.535 1.867 7.144 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.842 1.949 7.255 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.601 0.463 6.940 1.00 0.00 H new ATOM 0 HA PHE B 1 22.591 2.830 5.123 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.660 1.648 4.806 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.895 0.083 4.999 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.690 3.156 2.823 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.261 -1.125 3.073 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.283 3.054 0.371 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.854 -1.228 0.620 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.867 0.862 -0.732 1.00 0.00 H new ATOM 1648 N ARG B 2 20.314 2.060 4.428 1.00 0.00 N ATOM 1649 CA ARG B 2 19.001 1.596 3.886 1.00 0.00 C ATOM 1650 C ARG B 2 18.570 2.538 2.759 1.00 0.00 C ATOM 1651 O ARG B 2 17.462 3.035 2.742 1.00 0.00 O ATOM 1652 CB ARG B 2 17.949 1.613 5.003 1.00 0.00 C ATOM 1653 CG ARG B 2 18.289 0.545 6.045 1.00 0.00 C ATOM 1654 CD ARG B 2 17.297 0.631 7.206 1.00 0.00 C ATOM 1655 NE ARG B 2 15.948 0.200 6.743 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.024 -0.097 7.616 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.285 -0.014 8.893 1.00 0.00 N ATOM 1658 NH2 ARG B 2 13.842 -0.474 7.214 1.00 0.00 N ATOM 0 H ARG B 2 20.414 3.072 4.503 1.00 0.00 H new ATOM 0 HA ARG B 2 19.097 0.580 3.502 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.918 2.596 5.472 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.959 1.427 4.587 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.250 -0.446 5.592 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.306 0.689 6.410 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.629 -0.001 8.029 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.253 1.652 7.586 1.00 0.00 H new ATOM 0 HE ARG B 2 15.747 0.137 5.745 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.209 0.282 9.206 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.565 -0.246 9.577 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.639 -0.537 6.216 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.121 -0.706 7.897 1.00 0.00 H new ATOM 1672 N PHE B 3 19.442 2.787 1.812 1.00 0.00 N ATOM 1673 CA PHE B 3 19.093 3.699 0.677 1.00 0.00 C ATOM 1674 C PHE B 3 18.696 2.863 -0.541 1.00 0.00 C ATOM 1675 O PHE B 3 18.953 1.678 -0.600 1.00 0.00 O ATOM 1676 CB PHE B 3 20.301 4.568 0.333 1.00 0.00 C ATOM 1677 CG PHE B 3 20.476 5.622 1.403 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.977 5.263 2.669 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.128 6.960 1.137 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.130 6.242 3.669 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.282 7.939 2.136 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.783 7.581 3.403 1.00 0.00 C ATOM 0 H PHE B 3 20.384 2.397 1.776 1.00 0.00 H new ATOM 0 HA PHE B 3 18.259 4.339 0.964 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.198 3.953 0.261 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.160 5.040 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.244 4.237 2.873 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.743 7.235 0.166 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.513 5.966 4.640 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.016 8.965 1.931 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.901 8.332 4.170 1.00 0.00 H new ATOM 1692 N ARG B 4 18.060 3.470 -1.511 1.00 0.00 N ATOM 1693 CA ARG B 4 17.628 2.710 -2.722 1.00 0.00 C ATOM 1694 C ARG B 4 17.637 3.651 -3.941 1.00 0.00 C ATOM 1695 O ARG B 4 18.666 3.864 -4.552 1.00 0.00 O ATOM 1696 CB ARG B 4 16.209 2.151 -2.468 1.00 0.00 C ATOM 1697 CG ARG B 4 16.277 0.673 -2.047 1.00 0.00 C ATOM 1698 CD ARG B 4 16.672 -0.222 -3.239 1.00 0.00 C ATOM 1699 NE ARG B 4 15.999 -1.543 -3.096 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.951 -2.366 -4.107 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.511 -2.042 -5.240 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.343 -3.514 -3.984 1.00 0.00 N ATOM 0 H ARG B 4 17.821 4.462 -1.516 1.00 0.00 H new ATOM 0 HA ARG B 4 18.308 1.882 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.716 2.734 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.606 2.250 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.002 0.553 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.310 0.358 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.380 0.250 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.754 -0.352 -3.270 1.00 0.00 H new ATOM 0 HE ARG B 4 15.575 -1.805 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.987 -1.145 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.473 -2.686 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.906 -3.767 -3.098 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.305 -4.158 -4.774 1.00 0.00 H new ATOM 1716 N TYR B 5 16.500 4.214 -4.301 1.00 0.00 N ATOM 1717 CA TYR B 5 16.443 5.140 -5.483 1.00 0.00 C ATOM 1718 C TYR B 5 15.766 6.465 -5.104 1.00 0.00 C ATOM 1719 O TYR B 5 15.560 6.767 -3.945 1.00 0.00 O ATOM 1720 CB TYR B 5 15.709 4.460 -6.654 1.00 0.00 C ATOM 1721 CG TYR B 5 14.557 3.624 -6.158 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.772 2.288 -5.768 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.265 4.170 -6.111 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.692 1.501 -5.322 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.184 3.385 -5.671 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.398 2.051 -5.273 1.00 0.00 C ATOM 1727 OH TYR B 5 11.340 1.280 -4.838 1.00 0.00 O ATOM 0 H TYR B 5 15.609 4.071 -3.825 1.00 0.00 H new ATOM 0 HA TYR B 5 17.461 5.366 -5.799 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.341 5.217 -7.346 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.406 3.832 -7.209 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.765 1.866 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.101 5.194 -6.413 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.857 0.478 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.190 3.805 -5.638 1.00 0.00 H new ATOM 0 HH TYR B 5 11.671 0.405 -4.545 1.00 0.00 H new ATOM 1737 N VAL B 6 15.476 7.278 -6.086 1.00 0.00 N ATOM 1738 CA VAL B 6 14.875 8.623 -5.826 1.00 0.00 C ATOM 1739 C VAL B 6 13.493 8.540 -5.172 1.00 0.00 C ATOM 1740 O VAL B 6 12.685 7.686 -5.483 1.00 0.00 O ATOM 1741 CB VAL B 6 14.728 9.371 -7.157 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.571 10.868 -6.891 1.00 0.00 C ATOM 1743 CG2 VAL B 6 15.966 9.138 -8.018 1.00 0.00 C ATOM 0 H VAL B 6 15.632 7.065 -7.071 1.00 0.00 H new ATOM 0 HA VAL B 6 15.542 9.144 -5.139 1.00 0.00 H new ATOM 0 HB VAL B 6 13.847 9.000 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.467 11.397 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.684 11.038 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.450 11.238 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.858 9.671 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.848 9.505 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.078 8.072 -8.214 1.00 0.00 H new ATOM 1753 N CYS B 7 13.208 9.479 -4.303 1.00 0.00 N ATOM 1754 CA CYS B 7 11.867 9.544 -3.649 1.00 0.00 C ATOM 1755 C CYS B 7 11.065 10.629 -4.363 1.00 0.00 C ATOM 1756 O CYS B 7 11.185 11.799 -4.056 1.00 0.00 O ATOM 1757 CB CYS B 7 12.013 9.919 -2.171 1.00 0.00 C ATOM 1758 SG CYS B 7 13.268 8.878 -1.389 1.00 0.00 S ATOM 0 H CYS B 7 13.857 10.212 -4.017 1.00 0.00 H new ATOM 0 HA CYS B 7 11.370 8.576 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.291 10.969 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.058 9.797 -1.660 1.00 0.00 H new ATOM 1763 N GLU B 8 10.271 10.268 -5.334 1.00 0.00 N ATOM 1764 CA GLU B 8 9.502 11.308 -6.077 1.00 0.00 C ATOM 1765 C GLU B 8 8.225 11.675 -5.324 1.00 0.00 C ATOM 1766 O GLU B 8 7.160 11.819 -5.902 1.00 0.00 O ATOM 1767 CB GLU B 8 9.149 10.792 -7.473 1.00 0.00 C ATOM 1768 CG GLU B 8 8.689 9.338 -7.379 1.00 0.00 C ATOM 1769 CD GLU B 8 8.001 8.933 -8.684 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.566 9.191 -9.735 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.920 8.371 -8.610 1.00 0.00 O ATOM 0 H GLU B 8 10.122 9.308 -5.643 1.00 0.00 H new ATOM 0 HA GLU B 8 10.122 12.200 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.362 11.406 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.015 10.869 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.543 8.687 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.003 9.216 -6.541 1.00 0.00 H new ATOM 1778 N GLY B 9 8.332 11.877 -4.046 1.00 0.00 N ATOM 1779 CA GLY B 9 7.141 12.294 -3.268 1.00 0.00 C ATOM 1780 C GLY B 9 6.887 13.772 -3.626 1.00 0.00 C ATOM 1781 O GLY B 9 6.881 14.096 -4.798 1.00 0.00 O ATOM 0 H GLY B 9 9.191 11.772 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.277 11.679 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.315 12.177 -2.198 1.00 0.00 H new ATOM 1785 N PRO B 10 6.706 14.650 -2.657 1.00 0.00 N ATOM 1786 CA PRO B 10 6.498 16.075 -2.971 1.00 0.00 C ATOM 1787 C PRO B 10 7.802 16.663 -3.547 1.00 0.00 C ATOM 1788 O PRO B 10 8.074 17.840 -3.415 1.00 0.00 O ATOM 1789 CB PRO B 10 6.129 16.733 -1.620 1.00 0.00 C ATOM 1790 CG PRO B 10 6.280 15.644 -0.517 1.00 0.00 C ATOM 1791 CD PRO B 10 6.672 14.323 -1.217 1.00 0.00 C ATOM 0 HA PRO B 10 5.718 16.242 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.782 17.581 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.109 17.116 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.041 15.935 0.207 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.347 15.524 0.033 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.641 13.965 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.948 13.535 -1.008 1.00 0.00 H new ATOM 1799 N SER B 11 8.606 15.845 -4.178 1.00 0.00 N ATOM 1800 CA SER B 11 9.892 16.331 -4.761 1.00 0.00 C ATOM 1801 C SER B 11 9.693 16.642 -6.247 1.00 0.00 C ATOM 1802 O SER B 11 10.624 16.989 -6.946 1.00 0.00 O ATOM 1803 CB SER B 11 10.957 15.240 -4.613 1.00 0.00 C ATOM 1804 OG SER B 11 12.191 15.715 -5.136 1.00 0.00 O ATOM 0 H SER B 11 8.424 14.851 -4.315 1.00 0.00 H new ATOM 0 HA SER B 11 10.212 17.233 -4.239 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.074 14.969 -3.564 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.647 14.339 -5.142 1.00 0.00 H new ATOM 0 HG SER B 11 12.019 16.277 -5.920 1.00 0.00 H new ATOM 1810 N HIS B 12 8.489 16.514 -6.736 1.00 0.00 N ATOM 1811 CA HIS B 12 8.239 16.797 -8.178 1.00 0.00 C ATOM 1812 C HIS B 12 6.737 16.972 -8.415 1.00 0.00 C ATOM 1813 O HIS B 12 5.920 16.328 -7.785 1.00 0.00 O ATOM 1814 CB HIS B 12 8.761 15.629 -9.019 1.00 0.00 C ATOM 1815 CG HIS B 12 8.385 15.830 -10.462 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.613 17.024 -11.128 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.794 14.997 -11.380 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.166 16.877 -12.389 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.657 15.660 -12.595 1.00 0.00 N ATOM 0 H HIS B 12 7.670 16.226 -6.201 1.00 0.00 H new ATOM 0 HA HIS B 12 8.755 17.713 -8.466 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.844 15.556 -8.923 1.00 0.00 H new ATOM 0 HB3 HIS B 12 8.344 14.691 -8.653 1.00 0.00 H new ATOM 0 HD2 HIS B 12 7.483 13.981 -11.188 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.213 17.649 -13.142 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.254 15.295 -13.458 1.00 0.00 H new ATOM 1827 N GLY B 13 6.367 17.835 -9.321 1.00 0.00 N ATOM 1828 CA GLY B 13 4.919 18.050 -9.603 1.00 0.00 C ATOM 1829 C GLY B 13 4.281 18.829 -8.450 1.00 0.00 C ATOM 1830 O GLY B 13 5.022 19.369 -7.646 1.00 0.00 O ATOM 1831 OXT GLY B 13 3.064 18.872 -8.393 1.00 0.00 O ATOM 0 H GLY B 13 7.006 18.401 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.798 18.599 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.416 17.091 -9.729 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.112 -10.489 -1.386 1.00 0.24 O HETATM 1839 O HOH A 107 8.830 -3.337 5.193 1.00 0.40 O HETATM 1842 O HOH A 108 12.563 1.326 2.291 1.00 0.32 O HETATM 1845 O HOH A 109 -9.061 -8.777 -0.055 1.00 0.26 O HETATM 1848 O HOH A 110 -7.682 -13.073 0.531 1.00 0.21 O HETATM 1851 O HOH A 111 -12.499 -2.949 0.446 1.00 0.37 O