USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 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 Set 1.1: A 96 LYS NZ :NH3+ -150:sc= 0.149 (180deg=-0.151) USER MOD Set 1.2: A 100 THR OG1 : rot 73:sc= -0.239 USER MOD Set 2.1: A 48 LYS NZ :NH3+ -157:sc= 0.37 (180deg=-0.67) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -125:sc= -0.609 (180deg=-0.22) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.731 K(o=-1.3,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.125 (180deg=-0.805) USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= -0.162 (180deg=-2.58!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0213) USER MOD Single : A 28 SER OG : rot -179:sc= -1.49 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.104 (180deg=-0.742) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= -1.75 (180deg=-4.42!) USER MOD Single : A 43 HIS : no HD1:sc= -0.882 K(o=-0.88,f=-0.19) USER MOD Single : A 44 SER OG : rot 138:sc= 0.853 USER MOD Single : A 46 SER OG : rot 90:sc= -0.707! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.3!) USER MOD Single : A 63 GLN : amide:sc= -0.26 K(o=-0.26,f=-4.8!) USER MOD Single : A 67 SER OG : rot 71:sc= 1.09 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc=-0.00467 (180deg=-0.262) USER MOD Single : A 74 THR OG1 : rot 176:sc= -0.777 USER MOD Single : A 76 THR OG1 : rot -50:sc= -2.24! USER MOD Single : A 78 GLN : amide:sc= -2.38 X(o=-2.4,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 0.028 (180deg=-0.0946) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= -1.2 (180deg=-2.7!) USER MOD Single : A 84 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= -1.39 (180deg=-3.53!) USER MOD Single : A 90 SER OG : rot 108:sc= 1.19 USER MOD Single : A 93 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.4!) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.819 (180deg=-2.52!) USER MOD Single : A 102 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 7:sc= -1.65 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.765! C(o=-0.76!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.611 -2.347 7.347 1.00 0.73 N ATOM 2 CA MET A 1 -6.593 -2.425 8.434 1.00 0.31 C ATOM 3 C MET A 1 -5.198 -2.224 7.842 1.00 0.24 C ATOM 4 O MET A 1 -4.977 -2.426 6.664 1.00 0.21 O ATOM 5 CB MET A 1 -6.663 -3.798 9.104 1.00 0.70 C ATOM 6 CG MET A 1 -8.048 -4.002 9.721 1.00 1.55 C ATOM 7 SD MET A 1 -8.163 -5.676 10.397 1.00 2.25 S ATOM 8 CE MET A 1 -9.775 -5.491 11.196 1.00 2.89 C ATOM 0 H1 MET A 1 -8.422 -1.783 7.671 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.190 -1.898 6.509 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.932 -3.306 7.102 1.00 0.73 H new ATOM 0 HA MET A 1 -6.793 -1.648 9.172 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.461 -4.581 8.373 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.896 -3.877 9.875 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.220 -3.267 10.508 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.820 -3.848 8.967 1.00 1.55 H new ATOM 0 HE1 MET A 1 -10.048 -6.426 11.686 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.724 -4.694 11.938 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.526 -5.241 10.447 1.00 2.89 H new ATOM 20 N VAL A 2 -4.249 -1.834 8.653 1.00 0.24 N ATOM 21 CA VAL A 2 -2.860 -1.626 8.146 1.00 0.19 C ATOM 22 C VAL A 2 -2.045 -2.902 8.377 1.00 0.22 C ATOM 23 O VAL A 2 -2.326 -3.672 9.273 1.00 0.28 O ATOM 24 CB VAL A 2 -2.210 -0.464 8.902 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.782 -0.260 8.395 1.00 0.18 C ATOM 26 CG2 VAL A 2 -3.020 0.816 8.668 1.00 0.30 C ATOM 0 H VAL A 2 -4.377 -1.650 9.648 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.889 -1.395 7.081 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.189 -0.692 9.968 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.319 0.567 8.933 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.204 -1.169 8.560 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.803 -0.033 7.329 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.557 1.643 9.206 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.041 1.043 7.602 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -4.039 0.673 9.029 1.00 0.30 H new ATOM 36 N LYS A 3 -1.034 -3.132 7.581 1.00 0.18 N ATOM 37 CA LYS A 3 -0.200 -4.356 7.763 1.00 0.22 C ATOM 38 C LYS A 3 1.197 -4.105 7.199 1.00 0.16 C ATOM 39 O LYS A 3 1.361 -3.774 6.042 1.00 0.13 O ATOM 40 CB LYS A 3 -0.835 -5.550 7.031 1.00 0.26 C ATOM 41 CG LYS A 3 -0.237 -6.854 7.565 1.00 0.34 C ATOM 42 CD LYS A 3 -0.821 -8.041 6.795 1.00 0.81 C ATOM 43 CE LYS A 3 -0.102 -9.327 7.211 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.908 -10.507 6.786 1.00 1.97 N ATOM 0 H LYS A 3 -0.750 -2.525 6.812 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.137 -4.585 8.827 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.915 -5.547 7.177 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.658 -5.469 5.959 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.848 -6.838 7.460 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.453 -6.956 8.629 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.889 -8.128 6.996 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.711 -7.881 5.722 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.888 -9.366 6.756 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.043 -9.342 8.291 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -1.081 -11.123 7.606 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.817 -10.185 6.397 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.389 -11.038 6.058 1.00 1.97 H new ATOM 58 N GLN A 4 2.207 -4.256 8.011 1.00 0.18 N ATOM 59 CA GLN A 4 3.596 -4.026 7.529 1.00 0.15 C ATOM 60 C GLN A 4 4.163 -5.332 6.966 1.00 0.13 C ATOM 61 O GLN A 4 4.030 -6.387 7.552 1.00 0.14 O ATOM 62 CB GLN A 4 4.463 -3.535 8.702 1.00 0.20 C ATOM 63 CG GLN A 4 5.958 -3.733 8.390 1.00 0.21 C ATOM 64 CD GLN A 4 6.803 -2.844 9.306 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.488 -2.675 10.468 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.873 -2.267 8.829 1.00 0.98 N ATOM 0 H GLN A 4 2.129 -4.530 8.990 1.00 0.18 H new ATOM 0 HA GLN A 4 3.596 -3.272 6.742 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.262 -2.481 8.894 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.200 -4.079 9.609 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.232 -4.779 8.529 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.156 -3.488 7.347 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.137 -2.409 7.854 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.444 -1.675 9.431 1.00 0.98 H new ATOM 75 N ILE A 5 4.814 -5.251 5.838 1.00 0.10 N ATOM 76 CA ILE A 5 5.430 -6.458 5.212 1.00 0.10 C ATOM 77 C ILE A 5 6.944 -6.361 5.418 1.00 0.10 C ATOM 78 O ILE A 5 7.557 -5.389 5.032 1.00 0.11 O ATOM 79 CB ILE A 5 5.127 -6.463 3.708 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.657 -6.060 3.448 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.431 -7.842 3.111 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.664 -6.941 4.231 1.00 0.19 C ATOM 0 H ILE A 5 4.948 -4.386 5.315 1.00 0.10 H new ATOM 0 HA ILE A 5 5.033 -7.369 5.659 1.00 0.10 H new ATOM 0 HB ILE A 5 5.768 -5.729 3.220 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.513 -5.016 3.728 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.445 -6.136 2.382 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.212 -7.833 2.043 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.484 -8.080 3.263 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.814 -8.595 3.601 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.645 -6.620 4.016 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.787 -7.982 3.932 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.857 -6.845 5.300 1.00 0.19 H new ATOM 94 N GLU A 6 7.549 -7.345 6.033 1.00 0.11 N ATOM 95 CA GLU A 6 9.028 -7.295 6.269 1.00 0.14 C ATOM 96 C GLU A 6 9.731 -8.296 5.345 1.00 0.14 C ATOM 97 O GLU A 6 10.931 -8.246 5.161 1.00 0.17 O ATOM 98 CB GLU A 6 9.323 -7.655 7.731 1.00 0.18 C ATOM 99 CG GLU A 6 8.299 -6.987 8.652 1.00 0.31 C ATOM 100 CD GLU A 6 6.970 -7.747 8.601 1.00 1.20 C ATOM 101 OE1 GLU A 6 6.998 -8.941 8.355 1.00 1.97 O ATOM 102 OE2 GLU A 6 5.945 -7.119 8.815 1.00 1.96 O ATOM 0 H GLU A 6 7.084 -8.183 6.383 1.00 0.11 H new ATOM 0 HA GLU A 6 9.395 -6.290 6.059 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.290 -8.737 7.861 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.329 -7.332 7.998 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.676 -6.967 9.674 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.146 -5.951 8.348 1.00 0.31 H new ATOM 109 N SER A 7 8.996 -9.209 4.763 1.00 0.13 N ATOM 110 CA SER A 7 9.629 -10.214 3.855 1.00 0.15 C ATOM 111 C SER A 7 8.611 -10.680 2.812 1.00 0.14 C ATOM 112 O SER A 7 7.416 -10.556 2.992 1.00 0.12 O ATOM 113 CB SER A 7 10.102 -11.411 4.676 1.00 0.20 C ATOM 114 OG SER A 7 8.992 -11.982 5.356 1.00 0.23 O ATOM 0 H SER A 7 7.987 -9.302 4.877 1.00 0.13 H new ATOM 0 HA SER A 7 10.480 -9.759 3.348 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.565 -12.153 4.025 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.861 -11.098 5.393 1.00 0.20 H new ATOM 0 HG SER A 7 9.292 -12.752 5.883 1.00 0.23 H new ATOM 120 N LYS A 8 9.082 -11.215 1.719 1.00 0.15 N ATOM 121 CA LYS A 8 8.154 -11.692 0.655 1.00 0.14 C ATOM 122 C LYS A 8 7.109 -12.634 1.260 1.00 0.14 C ATOM 123 O LYS A 8 5.990 -12.717 0.795 1.00 0.13 O ATOM 124 CB LYS A 8 8.960 -12.437 -0.417 1.00 0.17 C ATOM 125 CG LYS A 8 8.134 -12.551 -1.701 1.00 0.21 C ATOM 126 CD LYS A 8 8.894 -13.399 -2.723 1.00 0.22 C ATOM 127 CE LYS A 8 8.035 -13.586 -3.974 1.00 1.06 C ATOM 128 NZ LYS A 8 6.917 -14.525 -3.675 1.00 1.90 N ATOM 0 H LYS A 8 10.074 -11.343 1.516 1.00 0.15 H new ATOM 0 HA LYS A 8 7.645 -10.839 0.207 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.891 -11.907 -0.619 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.230 -13.430 -0.058 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.166 -13.004 -1.485 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.938 -11.560 -2.109 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.835 -12.915 -2.985 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.143 -14.369 -2.292 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.639 -12.625 -4.303 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.643 -13.976 -4.790 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.931 -15.310 -4.357 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.028 -14.901 -2.712 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.011 -14.020 -3.747 1.00 1.90 H new ATOM 142 N THR A 9 7.463 -13.352 2.290 1.00 0.16 N ATOM 143 CA THR A 9 6.487 -14.289 2.914 1.00 0.18 C ATOM 144 C THR A 9 5.263 -13.509 3.402 1.00 0.16 C ATOM 145 O THR A 9 4.134 -13.914 3.206 1.00 0.17 O ATOM 146 CB THR A 9 7.151 -15.000 4.094 1.00 0.21 C ATOM 147 OG1 THR A 9 8.475 -15.370 3.736 1.00 0.24 O ATOM 148 CG2 THR A 9 6.353 -16.252 4.468 1.00 0.25 C ATOM 0 H THR A 9 8.385 -13.330 2.726 1.00 0.16 H new ATOM 0 HA THR A 9 6.169 -15.027 2.178 1.00 0.18 H new ATOM 0 HB THR A 9 7.177 -14.326 4.950 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.903 -15.824 4.491 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.833 -16.752 5.309 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.338 -15.967 4.746 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.318 -16.930 3.615 1.00 0.25 H new ATOM 156 N ALA A 10 5.481 -12.391 4.036 1.00 0.16 N ATOM 157 CA ALA A 10 4.340 -11.579 4.542 1.00 0.17 C ATOM 158 C ALA A 10 3.588 -10.951 3.364 1.00 0.15 C ATOM 159 O ALA A 10 2.408 -10.671 3.448 1.00 0.17 O ATOM 160 CB ALA A 10 4.874 -10.478 5.464 1.00 0.20 C ATOM 0 H ALA A 10 6.405 -12.003 4.226 1.00 0.16 H new ATOM 0 HA ALA A 10 3.655 -12.219 5.098 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.042 -9.881 5.837 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.401 -10.931 6.304 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.559 -9.838 4.908 1.00 0.20 H new ATOM 166 N PHE A 11 4.259 -10.721 2.267 1.00 0.12 N ATOM 167 CA PHE A 11 3.577 -10.105 1.093 1.00 0.11 C ATOM 168 C PHE A 11 2.415 -10.986 0.635 1.00 0.13 C ATOM 169 O PHE A 11 1.264 -10.623 0.767 1.00 0.16 O ATOM 170 CB PHE A 11 4.572 -9.944 -0.062 1.00 0.10 C ATOM 171 CG PHE A 11 3.860 -9.368 -1.266 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.414 -8.032 -1.245 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.641 -10.163 -2.409 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.752 -7.492 -2.364 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.978 -9.623 -3.527 1.00 0.18 C ATOM 176 CZ PHE A 11 2.533 -8.287 -3.505 1.00 0.21 C ATOM 0 H PHE A 11 5.248 -10.933 2.134 1.00 0.12 H new ATOM 0 HA PHE A 11 3.194 -9.128 1.387 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.390 -9.289 0.238 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.012 -10.909 -0.314 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.580 -7.421 -0.370 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.982 -11.188 -2.427 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.412 -6.467 -2.347 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.810 -10.233 -4.402 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.024 -7.873 -4.363 1.00 0.21 H new ATOM 186 N GLN A 12 2.701 -12.136 0.091 1.00 0.15 N ATOM 187 CA GLN A 12 1.602 -13.025 -0.385 1.00 0.19 C ATOM 188 C GLN A 12 0.625 -13.292 0.761 1.00 0.17 C ATOM 189 O GLN A 12 -0.576 -13.283 0.576 1.00 0.16 O ATOM 190 CB GLN A 12 2.190 -14.351 -0.876 1.00 0.24 C ATOM 191 CG GLN A 12 2.999 -14.110 -2.152 1.00 1.21 C ATOM 192 CD GLN A 12 3.407 -15.454 -2.760 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.573 -15.695 -3.002 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.489 -16.345 -3.020 1.00 2.47 N ATOM 0 H GLN A 12 3.645 -12.499 -0.045 1.00 0.15 H new ATOM 0 HA GLN A 12 1.074 -12.538 -1.205 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.827 -14.786 -0.106 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.390 -15.066 -1.069 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.407 -13.540 -2.868 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.885 -13.517 -1.927 1.00 1.21 H new ATOM 0 HE21 GLN A 12 1.510 -16.143 -2.817 1.00 2.47 H new ATOM 0 HE22 GLN A 12 2.751 -17.243 -3.426 1.00 2.47 H new ATOM 203 N GLU A 13 1.123 -13.529 1.941 1.00 0.19 N ATOM 204 CA GLU A 13 0.213 -13.794 3.087 1.00 0.20 C ATOM 205 C GLU A 13 -0.718 -12.594 3.288 1.00 0.18 C ATOM 206 O GLU A 13 -1.875 -12.749 3.620 1.00 0.19 O ATOM 207 CB GLU A 13 1.044 -14.020 4.351 1.00 0.25 C ATOM 208 CG GLU A 13 1.668 -15.418 4.322 1.00 0.30 C ATOM 209 CD GLU A 13 2.604 -15.583 5.523 1.00 1.29 C ATOM 210 OE1 GLU A 13 3.212 -14.601 5.915 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.698 -16.690 6.028 1.00 2.03 O ATOM 0 H GLU A 13 2.119 -13.551 2.161 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.385 -14.682 2.883 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.826 -13.265 4.422 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.415 -13.911 5.234 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.887 -16.178 4.349 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.221 -15.562 3.394 1.00 0.30 H new ATOM 218 N ALA A 14 -0.227 -11.401 3.088 1.00 0.18 N ATOM 219 CA ALA A 14 -1.098 -10.205 3.266 1.00 0.18 C ATOM 220 C ALA A 14 -2.269 -10.286 2.279 1.00 0.18 C ATOM 221 O ALA A 14 -3.411 -10.060 2.628 1.00 0.19 O ATOM 222 CB ALA A 14 -0.283 -8.941 2.992 1.00 0.20 C ATOM 0 H ALA A 14 0.734 -11.204 2.811 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.481 -10.174 4.286 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.917 -8.064 3.121 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.554 -8.890 3.689 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.096 -8.967 1.970 1.00 0.20 H new ATOM 228 N LEU A 15 -1.985 -10.618 1.046 1.00 0.17 N ATOM 229 CA LEU A 15 -3.064 -10.727 0.017 1.00 0.18 C ATOM 230 C LEU A 15 -4.020 -11.867 0.388 1.00 0.18 C ATOM 231 O LEU A 15 -5.225 -11.712 0.365 1.00 0.18 O ATOM 232 CB LEU A 15 -2.436 -11.013 -1.353 1.00 0.19 C ATOM 233 CG LEU A 15 -1.192 -10.139 -1.547 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.621 -10.369 -2.950 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.572 -8.663 -1.385 1.00 0.62 C ATOM 0 H LEU A 15 -1.045 -10.820 0.705 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.619 -9.790 -0.024 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.166 -12.067 -1.427 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.159 -10.813 -2.144 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.442 -10.404 -0.801 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.264 -9.748 -3.089 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.349 -11.418 -3.065 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.371 -10.105 -3.696 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.687 -8.042 -1.523 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.322 -8.397 -2.130 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.978 -8.499 -0.387 1.00 0.62 H new ATOM 247 N ASP A 16 -3.493 -13.014 0.723 1.00 0.19 N ATOM 248 CA ASP A 16 -4.374 -14.160 1.086 1.00 0.21 C ATOM 249 C ASP A 16 -5.163 -13.823 2.354 1.00 0.20 C ATOM 250 O ASP A 16 -6.318 -14.176 2.490 1.00 0.20 O ATOM 251 CB ASP A 16 -3.518 -15.404 1.333 1.00 0.24 C ATOM 252 CG ASP A 16 -4.427 -16.595 1.643 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.949 -17.177 0.706 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.584 -16.908 2.812 1.00 1.07 O ATOM 0 H ASP A 16 -2.492 -13.206 0.761 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.069 -14.353 0.269 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.907 -15.618 0.456 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.834 -15.229 2.163 1.00 0.24 H new ATOM 259 N ALA A 17 -4.549 -13.145 3.285 1.00 0.22 N ATOM 260 CA ALA A 17 -5.266 -12.789 4.543 1.00 0.24 C ATOM 261 C ALA A 17 -6.148 -11.561 4.302 1.00 0.21 C ATOM 262 O ALA A 17 -7.036 -11.263 5.076 1.00 0.22 O ATOM 263 CB ALA A 17 -4.243 -12.473 5.636 1.00 0.30 C ATOM 0 H ALA A 17 -3.583 -12.822 3.229 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.890 -13.627 4.855 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.764 -12.212 6.557 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.614 -13.346 5.809 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.621 -11.635 5.321 1.00 0.30 H new ATOM 269 N ALA A 18 -5.909 -10.843 3.238 1.00 0.21 N ATOM 270 CA ALA A 18 -6.733 -9.634 2.955 1.00 0.22 C ATOM 271 C ALA A 18 -8.158 -10.052 2.581 1.00 0.21 C ATOM 272 O ALA A 18 -9.039 -9.227 2.441 1.00 0.24 O ATOM 273 CB ALA A 18 -6.109 -8.852 1.797 1.00 0.23 C ATOM 0 H ALA A 18 -5.179 -11.041 2.553 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.766 -9.005 3.845 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.711 -7.967 1.589 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.098 -8.548 2.067 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.073 -9.483 0.909 1.00 0.23 H new ATOM 279 N GLY A 19 -8.395 -11.325 2.420 1.00 0.22 N ATOM 280 CA GLY A 19 -9.766 -11.786 2.057 1.00 0.24 C ATOM 281 C GLY A 19 -10.064 -11.411 0.602 1.00 0.20 C ATOM 282 O GLY A 19 -9.488 -11.955 -0.318 1.00 0.28 O ATOM 0 H GLY A 19 -7.701 -12.065 2.524 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.845 -12.865 2.189 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.502 -11.329 2.719 1.00 0.24 H new ATOM 286 N ASP A 20 -10.966 -10.485 0.387 1.00 0.13 N ATOM 287 CA ASP A 20 -11.311 -10.068 -1.009 1.00 0.18 C ATOM 288 C ASP A 20 -11.468 -8.545 -1.062 1.00 0.15 C ATOM 289 O ASP A 20 -11.827 -7.986 -2.080 1.00 0.22 O ATOM 290 CB ASP A 20 -12.625 -10.734 -1.428 1.00 0.26 C ATOM 291 CG ASP A 20 -12.604 -12.209 -1.018 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.618 -12.472 0.174 1.00 2.21 O ATOM 293 OD2 ASP A 20 -12.575 -13.049 -1.902 1.00 2.19 O ATOM 0 H ASP A 20 -11.480 -9.998 1.121 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.516 -10.374 -1.689 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.468 -10.227 -0.958 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.761 -10.647 -2.506 1.00 0.26 H new ATOM 298 N LYS A 21 -11.198 -7.867 0.022 1.00 0.12 N ATOM 299 CA LYS A 21 -11.328 -6.385 0.021 1.00 0.19 C ATOM 300 C LYS A 21 -10.224 -5.786 -0.841 1.00 0.15 C ATOM 301 O LYS A 21 -9.286 -6.458 -1.222 1.00 0.15 O ATOM 302 CB LYS A 21 -11.196 -5.870 1.452 1.00 0.27 C ATOM 303 CG LYS A 21 -12.516 -6.076 2.192 1.00 0.29 C ATOM 304 CD LYS A 21 -12.309 -5.791 3.681 1.00 0.30 C ATOM 305 CE LYS A 21 -13.658 -5.550 4.359 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.425 -6.828 4.408 1.00 1.90 N ATOM 0 H LYS A 21 -10.894 -8.277 0.905 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.299 -6.098 -0.381 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.392 -6.397 1.967 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -10.931 -4.813 1.446 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.281 -5.414 1.786 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.870 -7.097 2.051 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.800 -6.631 4.153 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.668 -4.918 3.807 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.507 -5.165 5.368 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.223 -4.795 3.811 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.305 -6.684 4.943 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.654 -7.133 3.440 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.851 -7.559 4.875 1.00 1.90 H new ATOM 320 N LEU A 22 -10.320 -4.525 -1.152 1.00 0.13 N ATOM 321 CA LEU A 22 -9.264 -3.904 -1.987 1.00 0.11 C ATOM 322 C LEU A 22 -7.948 -3.939 -1.194 1.00 0.10 C ATOM 323 O LEU A 22 -7.949 -4.142 0.004 1.00 0.11 O ATOM 324 CB LEU A 22 -9.669 -2.449 -2.322 1.00 0.12 C ATOM 325 CG LEU A 22 -9.416 -2.117 -3.803 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.746 -0.641 -4.034 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.949 -2.364 -4.178 1.00 0.11 C ATOM 0 H LEU A 22 -11.077 -3.905 -0.866 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.136 -4.446 -2.924 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.724 -2.302 -2.091 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.106 -1.760 -1.693 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.044 -2.758 -4.421 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.572 -0.389 -5.080 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.792 -0.459 -3.786 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.110 -0.023 -3.401 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.797 -2.122 -5.230 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.305 -1.734 -3.564 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.701 -3.412 -4.007 1.00 0.11 H new ATOM 339 N VAL A 23 -6.830 -3.749 -1.844 1.00 0.08 N ATOM 340 CA VAL A 23 -5.527 -3.780 -1.115 1.00 0.09 C ATOM 341 C VAL A 23 -4.561 -2.772 -1.738 1.00 0.08 C ATOM 342 O VAL A 23 -4.015 -3.003 -2.796 1.00 0.09 O ATOM 343 CB VAL A 23 -4.923 -5.182 -1.219 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.771 -5.309 -0.224 1.00 0.12 C ATOM 345 CG2 VAL A 23 -5.993 -6.224 -0.891 1.00 0.10 C ATOM 0 H VAL A 23 -6.762 -3.574 -2.847 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.694 -3.524 -0.069 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.554 -5.346 -2.231 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.338 -6.307 -0.295 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.008 -4.565 -0.454 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.144 -5.146 0.787 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.563 -7.223 -0.965 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.361 -6.061 0.122 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.819 -6.132 -1.596 1.00 0.10 H new ATOM 355 N VAL A 24 -4.330 -1.664 -1.076 1.00 0.08 N ATOM 356 CA VAL A 24 -3.380 -0.640 -1.614 1.00 0.08 C ATOM 357 C VAL A 24 -2.050 -0.784 -0.874 1.00 0.08 C ATOM 358 O VAL A 24 -2.013 -0.906 0.335 1.00 0.08 O ATOM 359 CB VAL A 24 -3.949 0.765 -1.392 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.203 1.769 -2.274 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.437 0.777 -1.749 1.00 0.09 C ATOM 0 H VAL A 24 -4.760 -1.424 -0.183 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.233 -0.790 -2.684 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.824 1.043 -0.345 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.610 2.767 -2.114 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.144 1.763 -2.016 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.323 1.492 -3.321 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.841 1.777 -1.591 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.563 0.496 -2.795 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.969 0.066 -1.116 1.00 0.09 H new ATOM 371 N VAL A 25 -0.962 -0.791 -1.597 1.00 0.09 N ATOM 372 CA VAL A 25 0.383 -0.949 -0.962 1.00 0.09 C ATOM 373 C VAL A 25 1.160 0.358 -1.065 1.00 0.10 C ATOM 374 O VAL A 25 1.212 0.980 -2.105 1.00 0.17 O ATOM 375 CB VAL A 25 1.155 -2.040 -1.707 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.348 -2.497 -0.865 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.228 -3.228 -1.966 1.00 0.09 C ATOM 0 H VAL A 25 -0.946 -0.693 -2.612 1.00 0.09 H new ATOM 0 HA VAL A 25 0.260 -1.217 0.087 1.00 0.09 H new ATOM 0 HB VAL A 25 1.517 -1.644 -2.656 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.894 -3.274 -1.400 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.009 -1.650 -0.680 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.992 -2.893 0.086 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.775 -4.007 -2.497 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.134 -3.621 -1.016 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.619 -2.904 -2.570 1.00 0.09 H new ATOM 387 N ASP A 26 1.779 0.768 0.009 1.00 0.08 N ATOM 388 CA ASP A 26 2.575 2.029 -0.002 1.00 0.08 C ATOM 389 C ASP A 26 4.065 1.680 -0.006 1.00 0.08 C ATOM 390 O ASP A 26 4.638 1.355 1.014 1.00 0.09 O ATOM 391 CB ASP A 26 2.245 2.845 1.251 1.00 0.09 C ATOM 392 CG ASP A 26 3.166 4.065 1.330 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.253 4.781 0.346 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.767 4.262 2.373 1.00 0.93 O ATOM 0 H ASP A 26 1.767 0.278 0.903 1.00 0.08 H new ATOM 0 HA ASP A 26 2.333 2.613 -0.890 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.203 3.165 1.224 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.366 2.228 2.141 1.00 0.09 H new ATOM 399 N PHE A 27 4.701 1.757 -1.143 1.00 0.08 N ATOM 400 CA PHE A 27 6.155 1.447 -1.208 1.00 0.09 C ATOM 401 C PHE A 27 6.914 2.725 -0.865 1.00 0.11 C ATOM 402 O PHE A 27 7.387 3.428 -1.738 1.00 0.13 O ATOM 403 CB PHE A 27 6.520 1.023 -2.632 1.00 0.10 C ATOM 404 CG PHE A 27 6.129 -0.419 -2.880 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.799 -0.751 -3.210 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.104 -1.430 -2.803 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.449 -2.094 -3.457 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.753 -2.771 -3.052 1.00 0.21 C ATOM 409 CZ PHE A 27 5.426 -3.102 -3.378 1.00 0.23 C ATOM 0 H PHE A 27 4.274 2.022 -2.031 1.00 0.08 H new ATOM 0 HA PHE A 27 6.407 0.643 -0.516 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.015 1.670 -3.350 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.591 1.146 -2.790 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.049 0.023 -3.274 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.124 -1.177 -2.552 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.430 -2.349 -3.707 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.503 -3.545 -2.993 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.157 -4.131 -3.568 1.00 0.23 H new ATOM 419 N SER A 28 7.009 3.039 0.401 1.00 0.11 N ATOM 420 CA SER A 28 7.716 4.284 0.835 1.00 0.12 C ATOM 421 C SER A 28 8.976 3.917 1.611 1.00 0.10 C ATOM 422 O SER A 28 9.028 2.916 2.297 1.00 0.11 O ATOM 423 CB SER A 28 6.788 5.094 1.739 1.00 0.17 C ATOM 424 OG SER A 28 5.629 5.470 1.007 1.00 1.03 O ATOM 0 H SER A 28 6.623 2.480 1.162 1.00 0.11 H new ATOM 0 HA SER A 28 7.990 4.871 -0.042 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.506 4.504 2.611 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.303 5.981 2.107 1.00 0.17 H new ATOM 0 HG SER A 28 5.038 6.002 1.580 1.00 1.03 H new ATOM 430 N ALA A 29 9.988 4.734 1.524 1.00 0.10 N ATOM 431 CA ALA A 29 11.247 4.456 2.270 1.00 0.15 C ATOM 432 C ALA A 29 11.148 5.133 3.642 1.00 0.18 C ATOM 433 O ALA A 29 10.903 6.319 3.744 1.00 0.26 O ATOM 434 CB ALA A 29 12.430 5.016 1.468 1.00 0.19 C ATOM 0 H ALA A 29 9.997 5.587 0.965 1.00 0.10 H new ATOM 0 HA ALA A 29 11.397 3.385 2.408 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.359 4.819 2.004 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.466 4.536 0.490 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.306 6.091 1.340 1.00 0.19 H new ATOM 440 N THR A 30 11.311 4.383 4.695 1.00 0.18 N ATOM 441 CA THR A 30 11.201 4.973 6.061 1.00 0.23 C ATOM 442 C THR A 30 12.321 5.991 6.297 1.00 0.26 C ATOM 443 O THR A 30 12.209 6.864 7.133 1.00 0.31 O ATOM 444 CB THR A 30 11.298 3.854 7.102 1.00 0.26 C ATOM 445 OG1 THR A 30 11.057 4.392 8.395 1.00 0.32 O ATOM 446 CG2 THR A 30 12.692 3.230 7.059 1.00 0.28 C ATOM 0 H THR A 30 11.516 3.384 4.670 1.00 0.18 H new ATOM 0 HA THR A 30 10.242 5.483 6.151 1.00 0.23 H new ATOM 0 HB THR A 30 10.555 3.088 6.881 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.117 3.677 9.063 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.757 2.434 7.801 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.875 2.817 6.067 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.439 3.993 7.278 1.00 0.28 H new ATOM 454 N TRP A 31 13.406 5.883 5.578 1.00 0.26 N ATOM 455 CA TRP A 31 14.537 6.840 5.773 1.00 0.32 C ATOM 456 C TRP A 31 14.371 8.057 4.857 1.00 0.32 C ATOM 457 O TRP A 31 15.055 9.051 5.002 1.00 0.36 O ATOM 458 CB TRP A 31 15.849 6.131 5.428 1.00 0.34 C ATOM 459 CG TRP A 31 15.906 5.873 3.957 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.483 4.742 3.348 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.390 6.752 2.903 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.694 4.861 1.985 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.249 6.084 1.658 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.941 8.054 2.906 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.639 6.688 0.454 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.334 8.666 1.699 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.184 7.985 0.474 1.00 0.40 C ATOM 0 H TRP A 31 13.559 5.173 4.862 1.00 0.26 H new ATOM 0 HA TRP A 31 14.546 7.176 6.810 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.697 6.744 5.733 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.922 5.191 5.976 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.051 3.886 3.844 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.468 4.135 1.305 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.062 8.583 3.840 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.522 6.162 -0.482 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.752 9.662 1.713 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.487 8.458 -0.448 1.00 0.40 H new ATOM 478 N CYS A 32 13.490 7.977 3.899 1.00 0.28 N ATOM 479 CA CYS A 32 13.303 9.116 2.953 1.00 0.30 C ATOM 480 C CYS A 32 12.172 10.022 3.446 1.00 0.31 C ATOM 481 O CYS A 32 11.145 9.569 3.909 1.00 0.29 O ATOM 482 CB CYS A 32 12.981 8.542 1.567 1.00 0.28 C ATOM 483 SG CYS A 32 13.587 9.660 0.276 1.00 0.32 S ATOM 0 H CYS A 32 12.889 7.170 3.729 1.00 0.28 H new ATOM 0 HA CYS A 32 14.210 9.717 2.895 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.442 7.560 1.455 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.905 8.403 1.463 1.00 0.28 H new ATOM 488 N GLY A 33 12.375 11.306 3.359 1.00 0.34 N ATOM 489 CA GLY A 33 11.346 12.271 3.826 1.00 0.36 C ATOM 490 C GLY A 33 10.197 12.397 2.814 1.00 0.35 C ATOM 491 O GLY A 33 9.067 12.160 3.169 1.00 0.33 O ATOM 0 H GLY A 33 13.221 11.732 2.979 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.951 11.947 4.789 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.805 13.247 3.982 1.00 0.36 H new ATOM 495 N PRO A 34 10.502 12.793 1.595 1.00 0.37 N ATOM 496 CA PRO A 34 9.465 12.992 0.558 1.00 0.38 C ATOM 497 C PRO A 34 8.472 11.822 0.514 1.00 0.35 C ATOM 498 O PRO A 34 7.278 12.021 0.410 1.00 0.36 O ATOM 499 CB PRO A 34 10.258 13.129 -0.764 1.00 0.42 C ATOM 500 CG PRO A 34 11.748 13.364 -0.376 1.00 0.44 C ATOM 501 CD PRO A 34 11.884 13.058 1.134 1.00 0.40 C ATOM 0 HA PRO A 34 8.850 13.870 0.756 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.154 12.230 -1.371 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.878 13.960 -1.358 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.404 12.718 -0.960 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.043 14.392 -0.588 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.530 12.197 1.306 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.325 13.899 1.669 1.00 0.40 H new ATOM 509 N ALA A 35 8.939 10.613 0.588 1.00 0.33 N ATOM 510 CA ALA A 35 7.991 9.465 0.544 1.00 0.32 C ATOM 511 C ALA A 35 7.270 9.362 1.887 1.00 0.39 C ATOM 512 O ALA A 35 6.057 9.370 1.960 1.00 0.81 O ATOM 513 CB ALA A 35 8.767 8.175 0.273 1.00 0.36 C ATOM 0 H ALA A 35 9.925 10.367 0.676 1.00 0.33 H new ATOM 0 HA ALA A 35 7.261 9.617 -0.251 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.075 7.334 0.241 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.285 8.256 -0.683 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.495 8.015 1.068 1.00 0.36 H new ATOM 519 N LYS A 36 8.012 9.269 2.950 1.00 0.30 N ATOM 520 CA LYS A 36 7.396 9.170 4.303 1.00 0.28 C ATOM 521 C LYS A 36 6.546 10.414 4.591 1.00 0.24 C ATOM 522 O LYS A 36 5.684 10.404 5.448 1.00 0.25 O ATOM 523 CB LYS A 36 8.521 9.066 5.337 1.00 0.35 C ATOM 524 CG LYS A 36 7.937 8.706 6.704 1.00 0.38 C ATOM 525 CD LYS A 36 9.047 8.702 7.777 1.00 0.49 C ATOM 526 CE LYS A 36 9.195 10.101 8.386 1.00 1.22 C ATOM 527 NZ LYS A 36 7.966 10.436 9.162 1.00 1.92 N ATOM 0 H LYS A 36 9.032 9.257 2.942 1.00 0.30 H new ATOM 0 HA LYS A 36 6.752 8.292 4.352 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.242 8.309 5.029 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.059 10.012 5.399 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.162 9.422 6.976 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.463 7.726 6.658 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.806 7.980 8.558 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.992 8.388 7.333 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.070 10.136 9.036 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.353 10.838 7.598 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.211 11.086 9.936 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.273 10.891 8.535 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.557 9.565 9.557 1.00 1.92 H new ATOM 541 N MET A 37 6.792 11.488 3.895 1.00 0.23 N ATOM 542 CA MET A 37 6.016 12.738 4.142 1.00 0.24 C ATOM 543 C MET A 37 4.520 12.499 3.904 1.00 0.20 C ATOM 544 O MET A 37 3.686 13.250 4.371 1.00 0.20 O ATOM 545 CB MET A 37 6.516 13.846 3.203 1.00 0.29 C ATOM 546 CG MET A 37 5.945 15.204 3.625 1.00 1.31 C ATOM 547 SD MET A 37 6.653 15.692 5.221 1.00 2.12 S ATOM 548 CE MET A 37 8.043 16.661 4.579 1.00 3.13 C ATOM 0 H MET A 37 7.499 11.556 3.163 1.00 0.23 H new ATOM 0 HA MET A 37 6.160 13.041 5.179 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.605 13.882 3.220 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.220 13.623 2.178 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.173 15.956 2.870 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.859 15.146 3.700 1.00 1.31 H new ATOM 0 HE1 MET A 37 8.622 17.062 5.411 1.00 3.13 H new ATOM 0 HE2 MET A 37 8.680 16.022 3.968 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.664 17.483 3.972 1.00 3.13 H new ATOM 558 N ILE A 38 4.168 11.475 3.165 1.00 0.18 N ATOM 559 CA ILE A 38 2.718 11.217 2.875 1.00 0.15 C ATOM 560 C ILE A 38 2.130 10.166 3.821 1.00 0.16 C ATOM 561 O ILE A 38 1.027 9.698 3.620 1.00 0.16 O ATOM 562 CB ILE A 38 2.567 10.740 1.425 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.098 11.836 0.487 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.076 10.464 1.118 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.270 11.294 -0.953 1.00 0.28 C ATOM 0 H ILE A 38 4.818 10.807 2.750 1.00 0.18 H new ATOM 0 HA ILE A 38 2.172 12.148 3.027 1.00 0.15 H new ATOM 0 HB ILE A 38 3.133 9.820 1.276 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.410 12.681 0.482 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.054 12.206 0.857 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.973 10.125 0.087 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.702 9.693 1.792 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.500 11.379 1.258 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.647 12.088 -1.598 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.977 10.465 -0.948 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.307 10.947 -1.329 1.00 0.28 H new ATOM 577 N LYS A 39 2.818 9.790 4.862 1.00 0.19 N ATOM 578 CA LYS A 39 2.218 8.776 5.768 1.00 0.22 C ATOM 579 C LYS A 39 0.949 9.288 6.472 1.00 0.20 C ATOM 580 O LYS A 39 0.083 8.493 6.748 1.00 0.21 O ATOM 581 CB LYS A 39 3.230 8.237 6.820 1.00 0.31 C ATOM 582 CG LYS A 39 3.407 9.186 8.039 1.00 0.34 C ATOM 583 CD LYS A 39 3.940 8.418 9.254 1.00 0.45 C ATOM 584 CE LYS A 39 5.156 7.582 8.862 1.00 1.16 C ATOM 585 NZ LYS A 39 4.706 6.265 8.338 1.00 1.62 N ATOM 0 H LYS A 39 3.744 10.130 5.120 1.00 0.19 H new ATOM 0 HA LYS A 39 1.934 7.948 5.119 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.894 7.262 7.172 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.197 8.087 6.341 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.095 9.991 7.782 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.452 9.650 8.286 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.211 9.118 10.045 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.160 7.771 9.655 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.741 8.105 8.106 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.806 7.439 9.726 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.349 5.520 8.674 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.742 6.068 8.675 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.712 6.285 7.298 1.00 1.62 H new ATOM 599 N PRO A 40 0.856 10.562 6.811 1.00 0.20 N ATOM 600 CA PRO A 40 -0.321 11.022 7.560 1.00 0.21 C ATOM 601 C PRO A 40 -1.601 10.825 6.738 1.00 0.17 C ATOM 602 O PRO A 40 -2.695 10.944 7.248 1.00 0.20 O ATOM 603 CB PRO A 40 -0.054 12.511 7.866 1.00 0.24 C ATOM 604 CG PRO A 40 1.356 12.855 7.310 1.00 0.25 C ATOM 605 CD PRO A 40 1.833 11.639 6.490 1.00 0.21 C ATOM 0 HA PRO A 40 -0.472 10.455 8.478 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.813 13.140 7.402 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.099 12.696 8.939 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.316 13.748 6.686 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.049 13.066 8.124 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.843 11.860 5.423 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.847 11.349 6.765 1.00 0.21 H new ATOM 613 N PHE A 41 -1.472 10.530 5.472 1.00 0.14 N ATOM 614 CA PHE A 41 -2.679 10.330 4.613 1.00 0.14 C ATOM 615 C PHE A 41 -2.907 8.839 4.386 1.00 0.11 C ATOM 616 O PHE A 41 -3.866 8.271 4.860 1.00 0.13 O ATOM 617 CB PHE A 41 -2.454 11.030 3.273 1.00 0.15 C ATOM 618 CG PHE A 41 -2.723 12.505 3.441 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.761 13.327 4.057 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.939 13.051 2.996 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.018 14.703 4.225 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.200 14.423 3.165 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.239 15.251 3.780 1.00 0.27 C ATOM 0 H PHE A 41 -0.579 10.418 4.992 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.556 10.750 5.104 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.431 10.870 2.931 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.114 10.611 2.513 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.828 12.905 4.400 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.674 12.416 2.524 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.280 15.337 4.694 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.135 14.841 2.824 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.438 16.305 3.910 1.00 0.27 H new ATOM 633 N PHE A 42 -2.036 8.206 3.659 1.00 0.10 N ATOM 634 CA PHE A 42 -2.202 6.752 3.380 1.00 0.11 C ATOM 635 C PHE A 42 -2.572 5.996 4.663 1.00 0.11 C ATOM 636 O PHE A 42 -3.531 5.250 4.697 1.00 0.12 O ATOM 637 CB PHE A 42 -0.887 6.214 2.816 1.00 0.13 C ATOM 638 CG PHE A 42 -1.013 4.740 2.531 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.709 4.313 1.390 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.423 3.795 3.394 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.818 2.943 1.106 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.535 2.420 3.112 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.234 1.994 1.966 1.00 0.10 C ATOM 0 H PHE A 42 -1.209 8.634 3.242 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.007 6.607 2.659 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.628 6.749 1.902 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.079 6.388 3.527 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.161 5.039 0.730 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.114 4.125 4.271 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.351 2.616 0.226 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.086 1.694 3.773 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.322 0.940 1.747 1.00 0.10 H new ATOM 653 N HIS A 43 -1.827 6.179 5.718 1.00 0.14 N ATOM 654 CA HIS A 43 -2.146 5.467 6.991 1.00 0.16 C ATOM 655 C HIS A 43 -3.454 6.013 7.589 1.00 0.16 C ATOM 656 O HIS A 43 -4.212 5.286 8.200 1.00 0.18 O ATOM 657 CB HIS A 43 -0.971 5.645 7.981 1.00 0.21 C ATOM 658 CG HIS A 43 -1.451 5.543 9.404 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.373 4.370 10.135 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.051 6.462 10.227 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.918 4.610 11.342 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.348 5.871 11.450 1.00 0.39 N ATOM 0 H HIS A 43 -1.011 6.790 5.755 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.284 4.404 6.793 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.213 4.885 7.793 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.498 6.614 7.821 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.261 7.488 9.965 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.998 3.873 12.128 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.797 6.306 12.256 1.00 0.39 H new ATOM 670 N SER A 44 -3.716 7.281 7.440 1.00 0.20 N ATOM 671 CA SER A 44 -4.965 7.851 8.027 1.00 0.25 C ATOM 672 C SER A 44 -6.195 7.165 7.420 1.00 0.20 C ATOM 673 O SER A 44 -7.151 6.870 8.110 1.00 0.21 O ATOM 674 CB SER A 44 -5.015 9.357 7.749 1.00 0.34 C ATOM 675 OG SER A 44 -4.264 10.039 8.744 1.00 0.97 O ATOM 0 H SER A 44 -3.125 7.946 6.941 1.00 0.20 H new ATOM 0 HA SER A 44 -4.967 7.680 9.104 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.610 9.570 6.760 1.00 0.34 H new ATOM 0 HB3 SER A 44 -6.048 9.706 7.752 1.00 0.34 H new ATOM 0 HG SER A 44 -3.732 10.747 8.324 1.00 0.97 H new ATOM 681 N LEU A 45 -6.188 6.918 6.140 1.00 0.18 N ATOM 682 CA LEU A 45 -7.368 6.263 5.507 1.00 0.18 C ATOM 683 C LEU A 45 -7.733 4.996 6.284 1.00 0.16 C ATOM 684 O LEU A 45 -8.810 4.455 6.131 1.00 0.23 O ATOM 685 CB LEU A 45 -7.041 5.892 4.055 1.00 0.19 C ATOM 686 CG LEU A 45 -6.601 7.135 3.267 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.325 6.734 1.815 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.704 8.208 3.304 1.00 0.50 C ATOM 0 H LEU A 45 -5.420 7.140 5.506 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.210 6.955 5.523 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.250 5.143 4.035 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.916 5.445 3.582 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.698 7.546 3.718 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.012 7.611 1.249 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.535 5.984 1.789 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.232 6.321 1.373 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.379 9.083 2.742 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.615 7.809 2.859 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.900 8.493 4.338 1.00 0.50 H new ATOM 700 N SER A 46 -6.850 4.516 7.114 1.00 0.20 N ATOM 701 CA SER A 46 -7.158 3.284 7.894 1.00 0.25 C ATOM 702 C SER A 46 -8.421 3.501 8.735 1.00 0.17 C ATOM 703 O SER A 46 -9.168 2.578 8.993 1.00 0.15 O ATOM 704 CB SER A 46 -5.986 2.960 8.820 1.00 0.36 C ATOM 705 OG SER A 46 -4.827 2.701 8.038 1.00 0.51 O ATOM 0 H SER A 46 -5.930 4.922 7.286 1.00 0.20 H new ATOM 0 HA SER A 46 -7.322 2.457 7.203 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.802 3.793 9.498 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.224 2.093 9.437 1.00 0.36 H new ATOM 0 HG SER A 46 -4.340 3.538 7.888 1.00 0.51 H new ATOM 711 N GLU A 47 -8.658 4.711 9.176 1.00 0.21 N ATOM 712 CA GLU A 47 -9.866 4.985 10.016 1.00 0.21 C ATOM 713 C GLU A 47 -11.020 5.481 9.140 1.00 0.18 C ATOM 714 O GLU A 47 -12.172 5.412 9.522 1.00 0.18 O ATOM 715 CB GLU A 47 -9.522 6.055 11.059 1.00 0.32 C ATOM 716 CG GLU A 47 -8.130 5.782 11.628 1.00 0.39 C ATOM 717 CD GLU A 47 -7.878 6.701 12.825 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.220 6.311 13.929 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.348 7.781 12.617 1.00 2.00 O ATOM 0 H GLU A 47 -8.067 5.522 8.991 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.171 4.064 10.513 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.553 7.045 10.604 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.262 6.049 11.860 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.049 4.739 11.934 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.373 5.950 10.862 1.00 0.39 H new ATOM 726 N LYS A 48 -10.728 5.983 7.971 1.00 0.18 N ATOM 727 CA LYS A 48 -11.818 6.483 7.080 1.00 0.17 C ATOM 728 C LYS A 48 -12.299 5.344 6.180 1.00 0.15 C ATOM 729 O LYS A 48 -13.397 5.373 5.660 1.00 0.18 O ATOM 730 CB LYS A 48 -11.281 7.622 6.209 1.00 0.21 C ATOM 731 CG LYS A 48 -12.446 8.310 5.492 1.00 0.26 C ATOM 732 CD LYS A 48 -11.902 9.396 4.562 1.00 1.09 C ATOM 733 CE LYS A 48 -13.055 10.022 3.775 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.784 8.958 3.028 1.00 2.16 N ATOM 0 H LYS A 48 -9.784 6.069 7.593 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.647 6.846 7.687 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.743 8.342 6.825 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.570 7.233 5.480 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.018 7.579 4.920 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.128 8.748 6.221 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.387 10.161 5.142 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.170 8.969 3.877 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.736 10.536 4.454 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.672 10.770 3.081 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.286 9.382 2.222 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.105 8.251 2.680 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -14.470 8.498 3.660 1.00 2.16 H new ATOM 748 N TYR A 49 -11.479 4.340 5.995 1.00 0.13 N ATOM 749 CA TYR A 49 -11.867 3.182 5.131 1.00 0.13 C ATOM 750 C TYR A 49 -11.522 1.876 5.848 1.00 0.11 C ATOM 751 O TYR A 49 -10.645 1.142 5.439 1.00 0.11 O ATOM 752 CB TYR A 49 -11.101 3.263 3.802 1.00 0.15 C ATOM 753 CG TYR A 49 -11.779 4.260 2.891 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.011 3.931 2.298 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.188 5.514 2.643 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.655 4.854 1.455 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.833 6.439 1.802 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.066 6.110 1.206 1.00 0.21 C ATOM 759 OH TYR A 49 -13.699 7.017 0.379 1.00 0.24 O ATOM 0 H TYR A 49 -10.549 4.272 6.409 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.939 3.212 4.934 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.069 3.562 3.982 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.070 2.282 3.327 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.463 2.969 2.490 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.241 5.765 3.098 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.600 4.601 0.999 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.382 7.402 1.613 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.160 7.833 0.315 1.00 0.24 H new ATOM 769 N SER A 50 -12.215 1.576 6.910 1.00 0.12 N ATOM 770 CA SER A 50 -11.938 0.313 7.646 1.00 0.13 C ATOM 771 C SER A 50 -12.337 -0.872 6.765 1.00 0.13 C ATOM 772 O SER A 50 -12.119 -2.017 7.107 1.00 0.14 O ATOM 773 CB SER A 50 -12.753 0.291 8.939 1.00 0.16 C ATOM 774 OG SER A 50 -14.138 0.314 8.621 1.00 0.17 O ATOM 0 H SER A 50 -12.962 2.151 7.300 1.00 0.12 H new ATOM 0 HA SER A 50 -10.877 0.248 7.889 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.516 -0.602 9.517 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.496 1.150 9.559 1.00 0.16 H new ATOM 0 HG SER A 50 -14.664 0.298 9.448 1.00 0.17 H new ATOM 780 N ASN A 51 -12.928 -0.600 5.630 1.00 0.13 N ATOM 781 CA ASN A 51 -13.357 -1.695 4.711 1.00 0.15 C ATOM 782 C ASN A 51 -12.281 -1.925 3.647 1.00 0.13 C ATOM 783 O ASN A 51 -12.451 -2.724 2.746 1.00 0.14 O ATOM 784 CB ASN A 51 -14.664 -1.287 4.028 1.00 0.17 C ATOM 785 CG ASN A 51 -15.176 -2.440 3.163 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.736 -2.618 2.045 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.096 -3.236 3.636 1.00 0.32 N ATOM 0 H ASN A 51 -13.133 0.343 5.298 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.504 -2.614 5.279 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.410 -1.023 4.777 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.503 -0.402 3.413 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.445 -4.007 3.067 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.466 -3.087 4.575 1.00 0.32 H new ATOM 794 N VAL A 52 -11.177 -1.228 3.748 1.00 0.11 N ATOM 795 CA VAL A 52 -10.067 -1.386 2.752 1.00 0.10 C ATOM 796 C VAL A 52 -8.813 -1.874 3.471 1.00 0.10 C ATOM 797 O VAL A 52 -8.597 -1.582 4.631 1.00 0.11 O ATOM 798 CB VAL A 52 -9.778 -0.033 2.107 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.645 -0.181 1.090 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.043 0.465 1.405 1.00 0.12 C ATOM 0 H VAL A 52 -10.993 -0.548 4.486 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.358 -2.106 1.988 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.478 0.684 2.871 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.440 0.786 0.630 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.748 -0.541 1.594 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.939 -0.894 0.320 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.845 1.431 0.941 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.340 -0.251 0.639 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.846 0.570 2.134 1.00 0.12 H new ATOM 810 N ILE A 53 -7.983 -2.621 2.790 1.00 0.09 N ATOM 811 CA ILE A 53 -6.731 -3.144 3.420 1.00 0.09 C ATOM 812 C ILE A 53 -5.538 -2.297 2.953 1.00 0.09 C ATOM 813 O ILE A 53 -5.341 -2.091 1.771 1.00 0.14 O ATOM 814 CB ILE A 53 -6.522 -4.599 2.982 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.857 -5.369 3.031 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.472 -5.274 3.876 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.584 -5.180 4.378 1.00 0.17 C ATOM 0 H ILE A 53 -8.119 -2.894 1.817 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.813 -3.093 4.506 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.159 -4.610 1.954 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.502 -5.029 2.220 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.670 -6.430 2.866 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.331 -6.307 3.556 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.527 -4.737 3.796 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.811 -5.258 4.912 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.519 -5.740 4.368 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.951 -5.545 5.187 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.796 -4.122 4.532 1.00 0.17 H new ATOM 829 N PHE A 54 -4.742 -1.810 3.874 1.00 0.08 N ATOM 830 CA PHE A 54 -3.550 -0.976 3.507 1.00 0.08 C ATOM 831 C PHE A 54 -2.275 -1.717 3.911 1.00 0.08 C ATOM 832 O PHE A 54 -2.164 -2.212 5.014 1.00 0.11 O ATOM 833 CB PHE A 54 -3.611 0.353 4.263 1.00 0.08 C ATOM 834 CG PHE A 54 -4.795 1.155 3.775 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.772 1.714 2.486 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.915 1.346 4.607 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.869 2.464 2.023 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.013 2.096 4.145 1.00 0.09 C ATOM 839 CZ PHE A 54 -6.991 2.655 2.853 1.00 0.09 C ATOM 0 H PHE A 54 -4.867 -1.955 4.876 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.549 -0.792 2.433 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.698 0.171 5.334 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.689 0.914 4.109 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.911 1.568 1.850 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.932 0.918 5.598 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.851 2.893 1.032 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.873 2.243 4.782 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.834 3.230 2.499 1.00 0.09 H new ATOM 849 N LEU A 55 -1.315 -1.801 3.024 1.00 0.08 N ATOM 850 CA LEU A 55 -0.032 -2.515 3.339 1.00 0.09 C ATOM 851 C LEU A 55 1.121 -1.505 3.335 1.00 0.09 C ATOM 852 O LEU A 55 0.954 -0.352 2.989 1.00 0.10 O ATOM 853 CB LEU A 55 0.235 -3.590 2.266 1.00 0.10 C ATOM 854 CG LEU A 55 -0.566 -4.869 2.558 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.060 -4.547 2.732 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.368 -5.846 1.389 1.00 0.12 C ATOM 0 H LEU A 55 -1.363 -1.403 2.086 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.109 -2.987 4.319 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.035 -3.203 1.283 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.300 -3.822 2.235 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.210 -5.318 3.485 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.609 -5.466 2.938 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.188 -3.854 3.563 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.443 -4.093 1.818 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.930 -6.760 1.580 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.724 -5.387 0.467 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.691 -6.085 1.290 1.00 0.12 H new ATOM 868 N GLU A 56 2.294 -1.939 3.712 1.00 0.09 N ATOM 869 CA GLU A 56 3.481 -1.032 3.731 1.00 0.09 C ATOM 870 C GLU A 56 4.706 -1.847 3.313 1.00 0.09 C ATOM 871 O GLU A 56 4.800 -3.022 3.611 1.00 0.10 O ATOM 872 CB GLU A 56 3.677 -0.472 5.147 1.00 0.09 C ATOM 873 CG GLU A 56 4.610 0.742 5.096 1.00 0.11 C ATOM 874 CD GLU A 56 4.722 1.362 6.492 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.740 1.926 6.949 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.786 1.264 7.079 1.00 1.24 O ATOM 0 H GLU A 56 2.483 -2.895 4.012 1.00 0.09 H new ATOM 0 HA GLU A 56 3.337 -0.197 3.046 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.715 -0.186 5.572 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.097 -1.239 5.797 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.596 0.441 4.740 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.227 1.478 4.389 1.00 0.11 H new ATOM 883 N VAL A 57 5.634 -1.251 2.605 1.00 0.08 N ATOM 884 CA VAL A 57 6.837 -2.018 2.147 1.00 0.08 C ATOM 885 C VAL A 57 8.094 -1.145 2.229 1.00 0.09 C ATOM 886 O VAL A 57 8.081 0.027 1.893 1.00 0.14 O ATOM 887 CB VAL A 57 6.618 -2.463 0.694 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.911 -3.071 0.128 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.496 -3.507 0.649 1.00 0.09 C ATOM 0 H VAL A 57 5.612 -0.271 2.325 1.00 0.08 H new ATOM 0 HA VAL A 57 6.974 -2.886 2.791 1.00 0.08 H new ATOM 0 HB VAL A 57 6.341 -1.598 0.091 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.745 -3.384 -0.903 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.707 -2.327 0.158 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.199 -3.935 0.727 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.337 -3.826 -0.381 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.775 -4.368 1.256 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.577 -3.070 1.040 1.00 0.09 H new ATOM 899 N ASP A 58 9.187 -1.729 2.663 1.00 0.09 N ATOM 900 CA ASP A 58 10.479 -0.982 2.766 1.00 0.09 C ATOM 901 C ASP A 58 11.327 -1.319 1.533 1.00 0.10 C ATOM 902 O ASP A 58 11.932 -2.370 1.450 1.00 0.11 O ATOM 903 CB ASP A 58 11.212 -1.414 4.046 1.00 0.11 C ATOM 904 CG ASP A 58 12.258 -0.362 4.430 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.324 -0.371 3.843 1.00 1.06 O ATOM 906 OD2 ASP A 58 11.973 0.432 5.311 1.00 1.08 O ATOM 0 H ASP A 58 9.237 -2.705 2.954 1.00 0.09 H new ATOM 0 HA ASP A 58 10.301 0.092 2.809 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.497 -1.542 4.859 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.694 -2.379 3.891 1.00 0.11 H new ATOM 911 N VAL A 59 11.348 -0.448 0.564 1.00 0.12 N ATOM 912 CA VAL A 59 12.124 -0.720 -0.683 1.00 0.15 C ATOM 913 C VAL A 59 13.616 -0.901 -0.387 1.00 0.18 C ATOM 914 O VAL A 59 14.398 -1.140 -1.287 1.00 0.27 O ATOM 915 CB VAL A 59 11.949 0.451 -1.651 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.498 0.509 -2.127 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.302 1.758 -0.939 1.00 0.22 C ATOM 0 H VAL A 59 10.859 0.447 0.580 1.00 0.12 H new ATOM 0 HA VAL A 59 11.746 -1.643 -1.123 1.00 0.15 H new ATOM 0 HB VAL A 59 12.608 0.313 -2.509 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.374 1.344 -2.817 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.244 -0.422 -2.635 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.839 0.646 -1.270 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.177 2.593 -1.628 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.643 1.894 -0.081 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.337 1.719 -0.599 1.00 0.22 H new ATOM 927 N ASP A 60 14.027 -0.768 0.850 1.00 0.16 N ATOM 928 CA ASP A 60 15.484 -0.909 1.189 1.00 0.18 C ATOM 929 C ASP A 60 15.728 -2.146 2.061 1.00 0.17 C ATOM 930 O ASP A 60 16.697 -2.856 1.882 1.00 0.18 O ATOM 931 CB ASP A 60 15.924 0.332 1.960 1.00 0.21 C ATOM 932 CG ASP A 60 15.985 1.529 1.009 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.976 1.653 0.308 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.040 2.300 0.998 1.00 1.11 O ATOM 0 H ASP A 60 13.418 -0.568 1.643 1.00 0.16 H new ATOM 0 HA ASP A 60 16.052 -1.018 0.265 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.226 0.535 2.772 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.901 0.164 2.413 1.00 0.21 H new ATOM 939 N ASP A 61 14.873 -2.402 3.014 1.00 0.17 N ATOM 940 CA ASP A 61 15.075 -3.585 3.908 1.00 0.17 C ATOM 941 C ASP A 61 14.313 -4.792 3.344 1.00 0.16 C ATOM 942 O ASP A 61 14.526 -5.913 3.759 1.00 0.18 O ATOM 943 CB ASP A 61 14.568 -3.233 5.318 1.00 0.19 C ATOM 944 CG ASP A 61 14.295 -4.510 6.126 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.173 -5.357 6.172 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.214 -4.619 6.679 1.00 1.07 O ATOM 0 H ASP A 61 14.042 -1.845 3.214 1.00 0.17 H new ATOM 0 HA ASP A 61 16.133 -3.841 3.962 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.307 -2.620 5.834 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.657 -2.640 5.245 1.00 0.19 H new ATOM 951 N ALA A 62 13.437 -4.568 2.396 1.00 0.16 N ATOM 952 CA ALA A 62 12.661 -5.693 1.783 1.00 0.16 C ATOM 953 C ALA A 62 12.862 -5.655 0.269 1.00 0.16 C ATOM 954 O ALA A 62 11.920 -5.685 -0.498 1.00 0.15 O ATOM 955 CB ALA A 62 11.176 -5.527 2.112 1.00 0.17 C ATOM 0 H ALA A 62 13.224 -3.646 2.016 1.00 0.16 H new ATOM 0 HA ALA A 62 13.007 -6.648 2.179 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.611 -6.345 1.666 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.039 -5.539 3.193 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.818 -4.579 1.711 1.00 0.17 H new ATOM 961 N GLN A 63 14.092 -5.584 -0.163 1.00 0.20 N ATOM 962 CA GLN A 63 14.376 -5.537 -1.624 1.00 0.22 C ATOM 963 C GLN A 63 13.722 -6.734 -2.315 1.00 0.20 C ATOM 964 O GLN A 63 13.585 -6.766 -3.522 1.00 0.20 O ATOM 965 CB GLN A 63 15.890 -5.583 -1.850 1.00 0.29 C ATOM 966 CG GLN A 63 16.572 -4.533 -0.969 1.00 0.90 C ATOM 967 CD GLN A 63 18.076 -4.526 -1.252 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.553 -3.735 -2.041 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.847 -5.380 -0.637 1.00 2.22 N ATOM 0 H GLN A 63 14.916 -5.556 0.438 1.00 0.20 H new ATOM 0 HA GLN A 63 13.972 -4.615 -2.041 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.273 -6.576 -1.613 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.117 -5.395 -2.899 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.150 -3.548 -1.167 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.390 -4.753 0.083 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.446 -6.044 0.025 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.851 -5.384 -0.819 1.00 2.22 H new ATOM 978 N ASP A 64 13.318 -7.722 -1.564 1.00 0.19 N ATOM 979 CA ASP A 64 12.675 -8.912 -2.185 1.00 0.20 C ATOM 980 C ASP A 64 11.288 -8.526 -2.705 1.00 0.17 C ATOM 981 O ASP A 64 10.877 -8.943 -3.769 1.00 0.19 O ATOM 982 CB ASP A 64 12.552 -10.028 -1.139 1.00 0.22 C ATOM 983 CG ASP A 64 12.157 -9.432 0.214 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.823 -8.259 0.251 1.00 1.11 O ATOM 985 OD2 ASP A 64 12.191 -10.161 1.192 1.00 1.09 O ATOM 0 H ASP A 64 13.406 -7.756 -0.548 1.00 0.19 H new ATOM 0 HA ASP A 64 13.283 -9.268 -3.017 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.806 -10.756 -1.457 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.499 -10.560 -1.049 1.00 0.22 H new ATOM 990 N VAL A 65 10.567 -7.725 -1.970 1.00 0.15 N ATOM 991 CA VAL A 65 9.216 -7.310 -2.436 1.00 0.16 C ATOM 992 C VAL A 65 9.379 -6.298 -3.572 1.00 0.16 C ATOM 993 O VAL A 65 8.757 -6.407 -4.610 1.00 0.19 O ATOM 994 CB VAL A 65 8.447 -6.666 -1.278 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.996 -6.424 -1.700 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.471 -7.600 -0.063 1.00 0.18 C ATOM 0 H VAL A 65 10.855 -7.341 -1.070 1.00 0.15 H new ATOM 0 HA VAL A 65 8.661 -8.179 -2.790 1.00 0.16 H new ATOM 0 HB VAL A 65 8.916 -5.717 -1.018 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.449 -5.966 -0.876 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.974 -5.760 -2.564 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.530 -7.374 -1.961 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.924 -7.141 0.760 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.004 -8.549 -0.325 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.503 -7.775 0.241 1.00 0.18 H new ATOM 1006 N ALA A 66 10.222 -5.320 -3.384 1.00 0.16 N ATOM 1007 CA ALA A 66 10.441 -4.304 -4.452 1.00 0.18 C ATOM 1008 C ALA A 66 11.037 -4.986 -5.683 1.00 0.19 C ATOM 1009 O ALA A 66 10.732 -4.636 -6.806 1.00 0.20 O ATOM 1010 CB ALA A 66 11.407 -3.235 -3.944 1.00 0.22 C ATOM 0 H ALA A 66 10.770 -5.180 -2.535 1.00 0.16 H new ATOM 0 HA ALA A 66 9.491 -3.839 -4.716 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.569 -2.491 -4.724 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.984 -2.752 -3.063 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.358 -3.699 -3.682 1.00 0.22 H new ATOM 1016 N SER A 67 11.884 -5.959 -5.484 1.00 0.21 N ATOM 1017 CA SER A 67 12.492 -6.659 -6.647 1.00 0.26 C ATOM 1018 C SER A 67 11.387 -7.359 -7.439 1.00 0.26 C ATOM 1019 O SER A 67 11.336 -7.286 -8.651 1.00 0.29 O ATOM 1020 CB SER A 67 13.506 -7.692 -6.153 1.00 0.31 C ATOM 1021 OG SER A 67 14.661 -7.019 -5.667 1.00 1.29 O ATOM 0 H SER A 67 12.180 -6.298 -4.568 1.00 0.21 H new ATOM 0 HA SER A 67 13.002 -5.938 -7.286 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.067 -8.302 -5.363 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.779 -8.368 -6.963 1.00 0.31 H new ATOM 0 HG SER A 67 14.447 -6.570 -4.823 1.00 1.29 H new ATOM 1027 N GLU A 68 10.494 -8.025 -6.761 1.00 0.26 N ATOM 1028 CA GLU A 68 9.383 -8.714 -7.474 1.00 0.30 C ATOM 1029 C GLU A 68 8.523 -7.661 -8.177 1.00 0.31 C ATOM 1030 O GLU A 68 8.141 -7.816 -9.320 1.00 0.36 O ATOM 1031 CB GLU A 68 8.533 -9.488 -6.458 1.00 0.31 C ATOM 1032 CG GLU A 68 7.633 -10.496 -7.182 1.00 0.39 C ATOM 1033 CD GLU A 68 6.536 -9.751 -7.942 1.00 1.43 C ATOM 1034 OE1 GLU A 68 5.857 -8.948 -7.325 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.390 -10.000 -9.128 1.00 2.20 O ATOM 0 H GLU A 68 10.486 -8.122 -5.746 1.00 0.26 H new ATOM 0 HA GLU A 68 9.782 -9.412 -8.210 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.180 -10.008 -5.752 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.923 -8.794 -5.879 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.225 -11.096 -7.873 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.188 -11.184 -6.463 1.00 0.39 H new ATOM 1042 N ALA A 69 8.223 -6.582 -7.498 1.00 0.29 N ATOM 1043 CA ALA A 69 7.393 -5.505 -8.119 1.00 0.31 C ATOM 1044 C ALA A 69 8.305 -4.508 -8.841 1.00 0.29 C ATOM 1045 O ALA A 69 7.865 -3.455 -9.257 1.00 0.33 O ATOM 1046 CB ALA A 69 6.609 -4.772 -7.027 1.00 0.31 C ATOM 0 H ALA A 69 8.518 -6.400 -6.539 1.00 0.29 H new ATOM 0 HA ALA A 69 6.699 -5.949 -8.833 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.003 -3.986 -7.479 1.00 0.31 H new ATOM 0 HB2 ALA A 69 5.960 -5.478 -6.509 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.305 -4.329 -6.315 1.00 0.31 H new ATOM 1052 N GLU A 70 9.566 -4.845 -8.987 1.00 0.27 N ATOM 1053 CA GLU A 70 10.552 -3.947 -9.682 1.00 0.29 C ATOM 1054 C GLU A 70 10.203 -2.466 -9.474 1.00 0.25 C ATOM 1055 O GLU A 70 10.045 -1.714 -10.416 1.00 0.26 O ATOM 1056 CB GLU A 70 10.582 -4.280 -11.183 1.00 0.38 C ATOM 1057 CG GLU A 70 9.165 -4.547 -11.693 1.00 1.18 C ATOM 1058 CD GLU A 70 9.197 -4.750 -13.209 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.969 -4.068 -13.863 1.00 2.34 O ATOM 1060 OE2 GLU A 70 8.448 -5.583 -13.691 1.00 2.06 O ATOM 0 H GLU A 70 9.963 -5.721 -8.648 1.00 0.27 H new ATOM 0 HA GLU A 70 11.538 -4.119 -9.250 1.00 0.29 H new ATOM 0 HB2 GLU A 70 11.026 -3.453 -11.738 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.210 -5.154 -11.357 1.00 0.38 H new ATOM 0 HG2 GLU A 70 8.752 -5.431 -11.206 1.00 1.18 H new ATOM 0 HG3 GLU A 70 8.513 -3.711 -11.441 1.00 1.18 H new ATOM 1067 N VAL A 71 10.097 -2.041 -8.244 1.00 0.22 N ATOM 1068 CA VAL A 71 9.775 -0.611 -7.962 1.00 0.19 C ATOM 1069 C VAL A 71 11.048 0.226 -8.110 1.00 0.23 C ATOM 1070 O VAL A 71 12.100 -0.148 -7.631 1.00 0.28 O ATOM 1071 CB VAL A 71 9.240 -0.491 -6.538 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.653 0.906 -6.332 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.147 -1.540 -6.329 1.00 0.19 C ATOM 0 H VAL A 71 10.220 -2.626 -7.417 1.00 0.22 H new ATOM 0 HA VAL A 71 9.021 -0.251 -8.662 1.00 0.19 H new ATOM 0 HB VAL A 71 10.047 -0.652 -5.824 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.270 0.994 -5.315 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.429 1.654 -6.493 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.841 1.067 -7.041 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.758 -1.463 -5.314 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.339 -1.371 -7.041 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.564 -2.535 -6.483 1.00 0.19 H new ATOM 1083 N LYS A 72 10.963 1.348 -8.784 1.00 0.24 N ATOM 1084 CA LYS A 72 12.169 2.215 -8.985 1.00 0.29 C ATOM 1085 C LYS A 72 11.842 3.661 -8.594 1.00 0.26 C ATOM 1086 O LYS A 72 12.621 4.564 -8.819 1.00 0.27 O ATOM 1087 CB LYS A 72 12.578 2.167 -10.461 1.00 0.35 C ATOM 1088 CG LYS A 72 12.997 0.741 -10.826 1.00 0.43 C ATOM 1089 CD LYS A 72 13.291 0.660 -12.326 1.00 1.16 C ATOM 1090 CE LYS A 72 13.894 -0.707 -12.656 1.00 1.66 C ATOM 1091 NZ LYS A 72 15.295 -0.770 -12.150 1.00 2.40 N ATOM 0 H LYS A 72 10.105 1.703 -9.206 1.00 0.24 H new ATOM 0 HA LYS A 72 12.986 1.852 -8.361 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.747 2.486 -11.091 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.401 2.858 -10.644 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.881 0.454 -10.256 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.205 0.040 -10.562 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.374 0.812 -12.896 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.981 1.453 -12.615 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.297 -1.498 -12.203 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.878 -0.873 -13.733 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.800 -1.546 -12.623 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 15.777 0.129 -12.350 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.286 -0.937 -11.124 1.00 2.40 H new ATOM 1105 N ALA A 73 10.698 3.887 -8.007 1.00 0.22 N ATOM 1106 CA ALA A 73 10.326 5.279 -7.597 1.00 0.20 C ATOM 1107 C ALA A 73 9.376 5.206 -6.403 1.00 0.18 C ATOM 1108 O ALA A 73 8.459 4.425 -6.405 1.00 0.16 O ATOM 1109 CB ALA A 73 9.623 5.984 -8.769 1.00 0.21 C ATOM 0 H ALA A 73 10.003 3.172 -7.792 1.00 0.22 H new ATOM 0 HA ALA A 73 11.221 5.838 -7.323 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.351 6.997 -8.474 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.296 6.024 -9.626 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.723 5.431 -9.039 1.00 0.21 H new ATOM 1115 N THR A 74 9.584 6.015 -5.387 1.00 0.18 N ATOM 1116 CA THR A 74 8.670 5.981 -4.194 1.00 0.17 C ATOM 1117 C THR A 74 8.036 7.371 -4.003 1.00 0.17 C ATOM 1118 O THR A 74 8.668 8.363 -4.311 1.00 0.19 O ATOM 1119 CB THR A 74 9.477 5.632 -2.927 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.483 6.610 -2.726 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.140 4.251 -3.059 1.00 0.19 C ATOM 0 H THR A 74 10.343 6.694 -5.332 1.00 0.18 H new ATOM 0 HA THR A 74 7.897 5.230 -4.357 1.00 0.17 H new ATOM 0 HB THR A 74 8.793 5.612 -2.079 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.959 6.423 -1.890 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.703 4.029 -2.152 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.372 3.491 -3.204 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.816 4.252 -3.914 1.00 0.19 H new ATOM 1129 N PRO A 75 6.824 7.434 -3.473 1.00 0.17 N ATOM 1130 CA PRO A 75 6.006 6.260 -3.079 1.00 0.16 C ATOM 1131 C PRO A 75 5.357 5.627 -4.317 1.00 0.14 C ATOM 1132 O PRO A 75 4.941 6.317 -5.226 1.00 0.14 O ATOM 1133 CB PRO A 75 4.918 6.845 -2.149 1.00 0.17 C ATOM 1134 CG PRO A 75 4.961 8.392 -2.313 1.00 0.20 C ATOM 1135 CD PRO A 75 6.186 8.732 -3.191 1.00 0.19 C ATOM 0 HA PRO A 75 6.597 5.482 -2.595 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.935 6.457 -2.414 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.104 6.562 -1.113 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.044 8.754 -2.778 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.039 8.879 -1.341 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.885 9.232 -4.111 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.870 9.404 -2.672 1.00 0.19 H new ATOM 1143 N THR A 76 5.238 4.320 -4.333 1.00 0.13 N ATOM 1144 CA THR A 76 4.574 3.630 -5.486 1.00 0.12 C ATOM 1145 C THR A 76 3.298 2.992 -4.960 1.00 0.12 C ATOM 1146 O THR A 76 3.341 2.074 -4.167 1.00 0.18 O ATOM 1147 CB THR A 76 5.477 2.522 -6.069 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.819 2.957 -6.062 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.056 2.214 -7.510 1.00 0.13 C ATOM 0 H THR A 76 5.573 3.700 -3.596 1.00 0.13 H new ATOM 0 HA THR A 76 4.372 4.354 -6.275 1.00 0.12 H new ATOM 0 HB THR A 76 5.377 1.623 -5.461 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.878 3.844 -6.475 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.696 1.431 -7.917 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.019 1.877 -7.522 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.152 3.114 -8.117 1.00 0.13 H new ATOM 1157 N PHE A 77 2.164 3.462 -5.386 1.00 0.09 N ATOM 1158 CA PHE A 77 0.896 2.858 -4.893 1.00 0.09 C ATOM 1159 C PHE A 77 0.507 1.720 -5.817 1.00 0.09 C ATOM 1160 O PHE A 77 0.299 1.902 -7.000 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.212 3.904 -4.863 1.00 0.10 C ATOM 1162 CG PHE A 77 0.098 4.896 -3.776 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.129 4.545 -2.435 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.618 6.165 -4.100 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.160 5.463 -1.410 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.909 7.085 -3.075 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.680 6.737 -1.730 1.00 0.12 C ATOM 0 H PHE A 77 2.057 4.231 -6.048 1.00 0.09 H new ATOM 0 HA PHE A 77 1.041 2.482 -3.880 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.283 4.408 -5.827 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.176 3.430 -4.679 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.525 3.570 -2.191 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.793 6.431 -5.132 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.015 5.194 -0.379 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.308 8.058 -3.320 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.902 7.443 -0.944 1.00 0.12 H new ATOM 1177 N GLN A 78 0.416 0.541 -5.271 1.00 0.07 N ATOM 1178 CA GLN A 78 0.046 -0.654 -6.076 1.00 0.07 C ATOM 1179 C GLN A 78 -1.246 -1.220 -5.507 1.00 0.06 C ATOM 1180 O GLN A 78 -1.421 -1.305 -4.307 1.00 0.07 O ATOM 1181 CB GLN A 78 1.170 -1.688 -5.964 1.00 0.08 C ATOM 1182 CG GLN A 78 2.522 -0.999 -6.187 1.00 0.12 C ATOM 1183 CD GLN A 78 3.585 -2.046 -6.531 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.527 -1.761 -7.244 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.473 -3.254 -6.050 1.00 1.03 N ATOM 0 H GLN A 78 0.586 0.352 -4.283 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.095 -0.395 -7.125 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.148 -2.160 -4.982 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.026 -2.478 -6.701 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.441 -0.271 -6.994 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.814 -0.451 -5.291 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.682 -3.493 -5.452 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.176 -3.959 -6.272 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.163 -1.578 -6.362 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.477 -2.112 -5.894 1.00 0.07 C ATOM 1196 C PHE A 79 -3.569 -3.598 -6.219 1.00 0.07 C ATOM 1197 O PHE A 79 -3.378 -4.012 -7.344 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.599 -1.355 -6.610 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.576 0.089 -6.168 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.531 0.924 -6.583 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.587 0.594 -5.333 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.487 2.268 -6.171 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.548 1.935 -4.913 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.499 2.774 -5.333 1.00 0.11 C ATOM 0 H PHE A 79 -2.059 -1.524 -7.375 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.571 -1.978 -4.816 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.468 -1.420 -7.690 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.564 -1.805 -6.378 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.754 0.533 -7.223 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.394 -0.048 -5.014 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.681 2.909 -6.496 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.323 2.321 -4.268 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.470 3.805 -5.013 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.868 -4.399 -5.228 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.988 -5.872 -5.442 1.00 0.08 C ATOM 1216 C PHE A 80 -5.358 -6.328 -4.954 1.00 0.11 C ATOM 1217 O PHE A 80 -5.988 -5.683 -4.138 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.904 -6.602 -4.641 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.557 -6.404 -5.297 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.168 -7.223 -6.376 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.683 -5.408 -4.823 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.092 -7.043 -6.978 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.575 -5.228 -5.426 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.964 -6.044 -6.502 1.00 0.14 C ATOM 0 H PHE A 80 -4.036 -4.091 -4.270 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.868 -6.099 -6.501 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.879 -6.225 -3.619 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.137 -7.665 -4.583 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.836 -7.989 -6.741 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.979 -4.781 -3.995 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.390 -7.671 -7.805 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.243 -4.462 -5.062 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.931 -5.905 -6.964 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.821 -7.437 -5.445 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.146 -7.955 -5.020 1.00 0.14 C ATOM 1236 C LYS A 81 -7.135 -9.467 -5.231 1.00 0.14 C ATOM 1237 O LYS A 81 -6.863 -9.941 -6.316 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.247 -7.295 -5.871 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.605 -7.388 -5.162 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.630 -6.530 -5.911 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.941 -6.494 -5.123 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.598 -7.832 -5.182 1.00 1.48 N ATOM 0 H LYS A 81 -5.333 -8.014 -6.130 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.344 -7.727 -3.973 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.996 -6.250 -6.053 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.304 -7.783 -6.844 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.939 -8.425 -5.127 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.513 -7.047 -4.131 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.246 -5.519 -6.044 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.803 -6.938 -6.907 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.746 -6.219 -4.086 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.604 -5.734 -5.536 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.615 -7.712 -5.363 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.174 -8.394 -5.948 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.464 -8.325 -4.276 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.397 -10.221 -4.200 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.383 -11.706 -4.326 1.00 0.20 C ATOM 1258 C LYS A 82 -6.017 -12.178 -4.839 1.00 0.20 C ATOM 1259 O LYS A 82 -5.905 -13.216 -5.461 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.477 -12.157 -5.303 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.846 -12.092 -4.613 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.963 -12.514 -5.595 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.467 -11.306 -6.404 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.415 -10.860 -7.359 1.00 1.67 N ATOM 0 H LYS A 82 -7.622 -9.870 -3.269 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.569 -12.143 -3.345 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.474 -11.519 -6.187 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.278 -13.173 -5.643 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.853 -12.746 -3.741 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.032 -11.080 -4.253 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.586 -13.280 -6.273 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.791 -12.957 -5.042 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.373 -11.574 -6.947 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.728 -10.490 -5.730 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -10.858 -10.352 -8.151 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.749 -10.228 -6.871 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -9.902 -11.689 -7.723 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.976 -11.438 -4.572 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.621 -11.861 -5.033 1.00 0.21 C ATOM 1280 C GLY A 83 -3.392 -11.431 -6.485 1.00 0.19 C ATOM 1281 O GLY A 83 -2.394 -11.777 -7.084 1.00 0.22 O ATOM 0 H GLY A 83 -5.004 -10.559 -4.055 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.858 -11.420 -4.392 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.522 -12.943 -4.948 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.309 -10.687 -7.058 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.145 -10.236 -8.484 1.00 0.17 C ATOM 1287 C GLN A 84 -3.954 -8.716 -8.542 1.00 0.16 C ATOM 1288 O GLN A 84 -4.518 -7.981 -7.757 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.399 -10.605 -9.273 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.688 -12.096 -9.102 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.899 -12.478 -9.952 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.894 -13.493 -10.619 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.947 -11.699 -9.955 1.00 2.08 N ATOM 0 H GLN A 84 -5.165 -10.371 -6.602 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.270 -10.725 -8.911 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.248 -10.017 -8.924 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.260 -10.369 -10.328 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.820 -12.683 -9.402 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.880 -12.323 -8.053 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.951 -10.847 -9.395 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.762 -11.943 -10.518 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.175 -8.242 -9.482 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.954 -6.769 -9.613 1.00 0.17 C ATOM 1304 C LYS A 85 -4.080 -6.176 -10.462 1.00 0.16 C ATOM 1305 O LYS A 85 -4.505 -6.768 -11.435 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.606 -6.503 -10.298 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.447 -4.997 -10.558 1.00 0.25 C ATOM 1308 CD LYS A 85 0.032 -4.652 -10.789 1.00 0.30 C ATOM 1309 CE LYS A 85 0.543 -5.338 -12.063 1.00 0.89 C ATOM 1310 NZ LYS A 85 0.916 -6.748 -11.754 1.00 1.70 N ATOM 0 H LYS A 85 -2.681 -8.814 -10.167 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.948 -6.310 -8.624 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.791 -6.862 -9.670 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.550 -7.052 -11.238 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.036 -4.707 -11.428 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.832 -4.431 -9.709 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.152 -3.572 -10.876 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.626 -4.971 -9.932 1.00 0.30 H new ATOM 0 HE2 LYS A 85 -0.227 -5.315 -12.835 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.406 -4.801 -12.457 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.840 -6.964 -12.180 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 0.972 -6.874 -10.723 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 0.197 -7.391 -12.143 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.578 -5.020 -10.092 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.695 -4.381 -10.862 1.00 0.16 C ATOM 1326 C VAL A 86 -5.287 -2.975 -11.318 1.00 0.18 C ATOM 1327 O VAL A 86 -5.847 -2.436 -12.253 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.930 -4.291 -9.961 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.545 -5.683 -9.794 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.518 -3.756 -8.590 1.00 0.17 C ATOM 0 H VAL A 86 -4.257 -4.487 -9.284 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.919 -4.983 -11.743 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.661 -3.621 -10.414 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.424 -5.618 -9.153 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.836 -6.072 -10.770 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.814 -6.352 -9.340 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.395 -3.691 -7.946 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.788 -4.429 -8.141 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.077 -2.766 -8.703 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.321 -2.369 -10.677 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.902 -0.999 -11.102 1.00 0.18 C ATOM 1342 C GLY A 87 -2.745 -0.501 -10.232 1.00 0.10 C ATOM 1343 O GLY A 87 -2.332 -1.154 -9.294 1.00 0.08 O ATOM 0 H GLY A 87 -3.808 -2.758 -9.886 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.598 -1.013 -12.149 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.746 -0.313 -11.024 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.219 0.659 -10.540 1.00 0.10 N ATOM 1348 CA GLU A 88 -1.088 1.206 -9.737 1.00 0.10 C ATOM 1349 C GLU A 88 -0.758 2.627 -10.185 1.00 0.10 C ATOM 1350 O GLU A 88 -1.063 3.033 -11.290 1.00 0.11 O ATOM 1351 CB GLU A 88 0.149 0.325 -9.922 1.00 0.17 C ATOM 1352 CG GLU A 88 0.426 0.122 -11.415 1.00 0.25 C ATOM 1353 CD GLU A 88 1.846 -0.416 -11.604 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.403 -0.913 -10.639 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.352 -0.319 -12.709 1.00 2.04 O ATOM 0 H GLU A 88 -2.526 1.249 -11.313 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.381 1.219 -8.687 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.011 0.789 -9.443 1.00 0.17 H new ATOM 0 HB3 GLU A 88 -0.005 -0.639 -9.437 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.297 -0.575 -11.838 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.309 1.065 -11.949 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.110 3.378 -9.339 1.00 0.09 N ATOM 1363 CA PHE A 89 0.274 4.766 -9.718 1.00 0.09 C ATOM 1364 C PHE A 89 1.247 5.336 -8.683 1.00 0.09 C ATOM 1365 O PHE A 89 1.015 5.274 -7.497 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.976 5.662 -9.858 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.504 6.117 -8.508 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.818 7.104 -7.766 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.700 5.566 -8.002 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.328 7.532 -6.527 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.207 5.999 -6.762 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.521 6.982 -6.025 1.00 0.11 C ATOM 0 H PHE A 89 0.170 3.091 -8.401 1.00 0.09 H new ATOM 0 HA PHE A 89 0.772 4.742 -10.687 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.731 6.534 -10.464 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.757 5.115 -10.387 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.097 7.530 -8.150 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.227 4.811 -8.566 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.802 8.285 -5.959 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.123 5.576 -6.376 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.911 7.314 -5.074 1.00 0.11 H new ATOM 1382 N SER A 90 2.343 5.898 -9.129 1.00 0.13 N ATOM 1383 CA SER A 90 3.340 6.487 -8.180 1.00 0.14 C ATOM 1384 C SER A 90 3.190 8.010 -8.200 1.00 0.14 C ATOM 1385 O SER A 90 2.198 8.538 -8.662 1.00 0.17 O ATOM 1386 CB SER A 90 4.751 6.104 -8.626 1.00 0.15 C ATOM 1387 OG SER A 90 5.163 6.974 -9.674 1.00 0.16 O ATOM 0 H SER A 90 2.592 5.975 -10.115 1.00 0.13 H new ATOM 0 HA SER A 90 3.169 6.110 -7.172 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.442 6.174 -7.786 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.769 5.069 -8.968 1.00 0.15 H new ATOM 0 HG SER A 90 5.843 7.594 -9.336 1.00 0.16 H new ATOM 1393 N GLY A 91 4.163 8.721 -7.701 1.00 0.12 N ATOM 1394 CA GLY A 91 4.070 10.212 -7.693 1.00 0.13 C ATOM 1395 C GLY A 91 3.244 10.657 -6.488 1.00 0.13 C ATOM 1396 O GLY A 91 2.142 10.193 -6.272 1.00 0.13 O ATOM 0 H GLY A 91 5.018 8.337 -7.299 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.067 10.650 -7.647 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.609 10.565 -8.615 1.00 0.13 H new ATOM 1400 N ALA A 92 3.773 11.544 -5.690 1.00 0.15 N ATOM 1401 CA ALA A 92 3.017 12.002 -4.487 1.00 0.17 C ATOM 1402 C ALA A 92 1.628 12.519 -4.883 1.00 0.15 C ATOM 1403 O ALA A 92 1.458 13.680 -5.198 1.00 0.16 O ATOM 1404 CB ALA A 92 3.794 13.127 -3.787 1.00 0.20 C ATOM 0 H ALA A 92 4.691 11.970 -5.817 1.00 0.15 H new ATOM 0 HA ALA A 92 2.898 11.155 -3.811 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.240 13.460 -2.909 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.772 12.757 -3.480 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.921 13.963 -4.474 1.00 0.20 H new ATOM 1410 N ASN A 93 0.629 11.675 -4.829 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.761 12.121 -5.156 1.00 0.13 C ATOM 1412 C ASN A 93 -1.712 11.500 -4.129 1.00 0.12 C ATOM 1413 O ASN A 93 -2.435 10.563 -4.406 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.144 11.679 -6.574 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.284 12.565 -7.081 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.223 12.837 -6.360 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.236 13.037 -8.292 1.00 1.15 N ATOM 0 H ASN A 93 0.716 10.692 -4.571 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.825 13.208 -5.117 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.283 11.757 -7.238 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.452 10.633 -6.572 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.987 13.636 -8.636 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.448 12.809 -8.897 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.684 12.017 -2.935 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.546 11.482 -1.837 1.00 0.20 C ATOM 1426 C LYS A 94 -4.029 11.638 -2.182 1.00 0.18 C ATOM 1427 O LYS A 94 -4.840 10.802 -1.839 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.234 12.253 -0.546 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.006 13.733 -0.887 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.957 14.571 0.392 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.710 14.218 1.213 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.494 14.241 0.335 1.00 1.19 N ATOM 0 H LYS A 94 -1.091 12.802 -2.665 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.337 10.420 -1.705 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.058 12.153 0.160 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.349 11.837 -0.064 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.074 13.846 -1.440 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.806 14.092 -1.534 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -1.946 15.631 0.140 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.854 14.393 0.986 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.589 14.928 2.031 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.826 13.231 1.662 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.348 14.341 0.920 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.546 13.354 -0.206 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.429 15.044 -0.322 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.397 12.696 -2.839 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.832 12.887 -3.176 1.00 0.20 C ATOM 1448 C GLU A 95 -6.278 11.794 -4.155 1.00 0.17 C ATOM 1449 O GLU A 95 -7.436 11.426 -4.207 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.015 14.259 -3.822 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.877 15.350 -2.758 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.850 16.722 -3.435 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.187 16.846 -4.452 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.493 17.626 -2.925 1.00 1.86 O ATOM 0 H GLU A 95 -3.770 13.435 -3.157 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.434 12.825 -2.270 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.272 14.405 -4.606 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.995 14.321 -4.296 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.709 15.295 -2.056 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.964 15.198 -2.183 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.365 11.272 -4.931 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.720 10.204 -5.909 1.00 0.14 C ATOM 1463 C LYS A 96 -6.064 8.913 -5.163 1.00 0.12 C ATOM 1464 O LYS A 96 -6.910 8.153 -5.583 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.537 9.963 -6.854 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.972 9.072 -8.014 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.793 8.847 -8.965 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.282 8.132 -10.225 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.129 6.967 -9.838 1.00 2.05 N ATOM 0 H LYS A 96 -4.382 11.542 -4.928 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.587 10.518 -6.491 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.165 10.914 -7.234 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.717 9.494 -6.311 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.333 8.116 -7.635 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.800 9.536 -8.550 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.338 9.802 -9.229 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.023 8.253 -8.473 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.854 8.820 -10.848 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.432 7.796 -10.819 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.046 6.223 -10.559 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.811 6.596 -8.920 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.122 7.269 -9.764 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.419 8.659 -4.052 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.727 7.413 -3.285 1.00 0.11 C ATOM 1485 C LEU A 97 -7.241 7.305 -3.094 1.00 0.11 C ATOM 1486 O LEU A 97 -7.806 6.231 -3.107 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.054 7.474 -1.902 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.574 7.083 -2.000 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.906 7.375 -0.649 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.437 5.579 -2.367 1.00 0.13 C ATOM 0 H LEU A 97 -4.698 9.255 -3.645 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.354 6.549 -3.835 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.143 8.481 -1.493 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.567 6.804 -1.213 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.085 7.662 -2.784 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.852 7.103 -0.698 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.997 8.437 -0.420 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.395 6.792 0.132 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.381 5.315 -2.433 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.915 4.972 -1.598 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.918 5.394 -3.327 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.894 8.414 -2.903 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.371 8.380 -2.695 1.00 0.14 C ATOM 1504 C GLU A 98 -10.071 7.932 -3.980 1.00 0.13 C ATOM 1505 O GLU A 98 -10.802 6.961 -3.998 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.861 9.778 -2.309 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.347 9.718 -1.944 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.778 11.057 -1.340 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.078 12.033 -1.553 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.801 11.082 -0.676 1.00 2.15 O ATOM 0 H GLU A 98 -7.473 9.343 -2.881 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.604 7.674 -1.898 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.284 10.157 -1.465 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.707 10.470 -3.137 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.942 9.498 -2.831 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.526 8.912 -1.233 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.865 8.646 -5.049 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.527 8.291 -6.338 1.00 0.14 C ATOM 1519 C ALA A 99 -10.121 6.887 -6.804 1.00 0.12 C ATOM 1520 O ALA A 99 -10.912 6.177 -7.383 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.121 9.308 -7.404 1.00 0.15 C ATOM 0 H ALA A 99 -9.262 9.468 -5.088 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.606 8.304 -6.186 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.601 9.055 -8.349 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.434 10.305 -7.093 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.039 9.290 -7.530 1.00 0.15 H new ATOM 1527 N THR A 100 -8.895 6.487 -6.586 1.00 0.11 N ATOM 1528 CA THR A 100 -8.460 5.136 -7.060 1.00 0.11 C ATOM 1529 C THR A 100 -9.179 4.032 -6.284 1.00 0.10 C ATOM 1530 O THR A 100 -9.673 3.082 -6.856 1.00 0.11 O ATOM 1531 CB THR A 100 -6.951 4.984 -6.864 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.302 6.127 -7.384 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.450 3.739 -7.602 1.00 0.12 C ATOM 0 H THR A 100 -8.180 7.032 -6.104 1.00 0.11 H new ATOM 0 HA THR A 100 -8.711 5.046 -8.117 1.00 0.11 H new ATOM 0 HB THR A 100 -6.733 4.881 -5.801 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.459 6.891 -6.790 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.374 3.638 -7.457 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.953 2.856 -7.209 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.665 3.836 -8.666 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.233 4.140 -4.988 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.914 3.083 -4.189 1.00 0.11 C ATOM 1543 C ILE A 101 -11.387 3.005 -4.597 1.00 0.13 C ATOM 1544 O ILE A 101 -11.890 1.949 -4.916 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.798 3.414 -2.694 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.317 3.325 -2.271 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.635 2.407 -1.895 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.082 4.081 -0.954 1.00 0.18 C ATOM 0 H ILE A 101 -8.838 4.910 -4.448 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.440 2.120 -4.377 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.165 4.422 -2.500 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.030 2.280 -2.153 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.684 3.743 -3.054 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.559 2.634 -0.832 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.678 2.472 -2.206 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.264 1.399 -2.078 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.031 4.006 -0.674 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.349 5.130 -1.084 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.699 3.644 -0.169 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.080 4.108 -4.591 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.522 4.086 -4.974 1.00 0.17 C ATOM 1562 C ASN A 102 -13.669 3.564 -6.406 1.00 0.18 C ATOM 1563 O ASN A 102 -14.739 3.166 -6.825 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.085 5.507 -4.893 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.612 5.458 -4.980 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.161 4.872 -5.892 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.326 6.055 -4.065 1.00 1.03 N ATOM 0 H ASN A 102 -11.712 5.025 -4.338 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.068 3.432 -4.294 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.779 5.978 -3.959 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.683 6.115 -5.704 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.344 6.030 -4.116 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.866 6.547 -3.299 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.607 3.573 -7.162 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.685 3.089 -8.570 1.00 0.18 C ATOM 1576 C GLU A 103 -12.727 1.557 -8.610 1.00 0.19 C ATOM 1577 O GLU A 103 -13.646 0.963 -9.136 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.449 3.578 -9.337 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.720 3.538 -10.844 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.446 3.917 -11.601 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.385 3.857 -11.004 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.554 4.260 -12.768 1.00 2.01 O ATOM 0 H GLU A 103 -11.686 3.895 -6.866 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.594 3.479 -9.028 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.199 4.594 -9.031 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.590 2.952 -9.097 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.048 2.541 -11.139 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.525 4.227 -11.098 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.716 0.919 -8.086 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.656 -0.574 -8.115 1.00 0.19 C ATOM 1591 C LEU A 104 -12.255 -1.162 -6.832 1.00 0.19 C ATOM 1592 O LEU A 104 -12.040 -2.315 -6.515 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.188 -1.001 -8.247 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.564 -0.364 -9.501 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.039 -0.461 -9.415 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.044 -1.091 -10.765 1.00 0.35 C ATOM 0 H LEU A 104 -10.921 1.371 -7.634 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.234 -0.945 -8.962 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.632 -0.698 -7.360 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.121 -2.087 -8.309 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.870 0.681 -9.553 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.595 -0.010 -10.303 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.690 0.066 -8.527 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.744 -1.509 -9.354 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.594 -0.629 -11.644 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.750 -2.139 -10.716 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.130 -1.022 -10.835 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.014 -0.393 -6.097 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.626 -0.938 -4.850 1.00 0.22 C ATOM 1610 C VAL A 105 -14.607 -2.055 -5.214 1.00 0.26 C ATOM 1611 O VAL A 105 -14.597 -3.069 -4.538 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.373 0.173 -4.106 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.489 0.728 -4.995 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -14.972 -0.391 -2.816 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.350 -1.875 -6.165 1.00 1.18 O ATOM 0 H VAL A 105 -13.235 0.581 -6.304 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.840 -1.333 -4.207 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.678 0.976 -3.861 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.019 1.518 -4.463 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.058 1.133 -5.910 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.186 -0.071 -5.245 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.504 0.399 -2.286 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.666 -1.196 -3.059 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.174 -0.779 -2.183 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 21.414 1.705 7.493 1.00 0.00 N ATOM 1627 CA PHE B 1 21.624 2.167 6.093 1.00 0.00 C ATOM 1628 C PHE B 1 20.490 1.638 5.208 1.00 0.00 C ATOM 1629 O PHE B 1 20.230 0.452 5.153 1.00 0.00 O ATOM 1630 CB PHE B 1 22.979 1.653 5.584 1.00 0.00 C ATOM 1631 CG PHE B 1 23.060 1.807 4.078 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.151 3.091 3.507 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.037 0.669 3.247 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.218 3.237 2.108 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.105 0.815 1.849 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.196 2.099 1.279 1.00 0.00 C ATOM 0 H1 PHE B 1 22.182 2.063 8.096 1.00 0.00 H new ATOM 0 H2 PHE B 1 20.503 2.064 7.844 1.00 0.00 H new ATOM 0 H3 PHE B 1 21.410 0.665 7.519 1.00 0.00 H new ATOM 0 HA PHE B 1 21.623 3.256 6.059 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.789 2.207 6.058 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.106 0.606 5.858 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.169 3.964 4.142 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.967 -0.316 3.684 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.286 4.222 1.671 1.00 0.00 H new ATOM 0 HE2 PHE B 1 23.087 -0.058 1.213 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.249 2.211 0.206 1.00 0.00 H new ATOM 1648 N ARG B 2 19.820 2.514 4.512 1.00 0.00 N ATOM 1649 CA ARG B 2 18.704 2.083 3.622 1.00 0.00 C ATOM 1650 C ARG B 2 18.591 3.071 2.456 1.00 0.00 C ATOM 1651 O ARG B 2 17.866 4.042 2.526 1.00 0.00 O ATOM 1652 CB ARG B 2 17.389 2.078 4.416 1.00 0.00 C ATOM 1653 CG ARG B 2 17.274 0.808 5.272 1.00 0.00 C ATOM 1654 CD ARG B 2 15.834 0.670 5.813 1.00 0.00 C ATOM 1655 NE ARG B 2 15.865 0.237 7.244 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.619 -0.755 7.635 1.00 0.00 C ATOM 1657 NH1 ARG B 2 17.272 -1.471 6.763 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.687 -1.054 8.901 1.00 0.00 N ATOM 0 H ARG B 2 19.999 3.518 4.521 1.00 0.00 H new ATOM 0 HA ARG B 2 18.899 1.080 3.242 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.342 2.959 5.056 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.544 2.137 3.730 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.534 -0.067 4.677 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.981 0.852 6.101 1.00 0.00 H new ATOM 0 HD2 ARG B 2 15.310 1.622 5.724 1.00 0.00 H new ATOM 0 HD3 ARG B 2 15.281 -0.056 5.217 1.00 0.00 H new ATOM 0 HE ARG B 2 15.286 0.726 7.927 1.00 0.00 H new ATOM 0 HH11 ARG B 2 17.196 -1.258 5.768 1.00 0.00 H new ATOM 0 HH12 ARG B 2 17.859 -2.244 7.075 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.153 -0.514 9.582 1.00 0.00 H new ATOM 0 HH22 ARG B 2 17.274 -1.828 9.211 1.00 0.00 H new ATOM 1672 N PHE B 3 19.305 2.832 1.384 1.00 0.00 N ATOM 1673 CA PHE B 3 19.248 3.755 0.206 1.00 0.00 C ATOM 1674 C PHE B 3 19.119 2.930 -1.072 1.00 0.00 C ATOM 1675 O PHE B 3 20.024 2.212 -1.447 1.00 0.00 O ATOM 1676 CB PHE B 3 20.535 4.580 0.146 1.00 0.00 C ATOM 1677 CG PHE B 3 20.492 5.655 1.206 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.697 5.318 2.557 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.240 6.993 0.844 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.652 6.318 3.547 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.195 7.992 1.833 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.401 7.655 3.185 1.00 0.00 C ATOM 0 H PHE B 3 19.929 2.033 1.273 1.00 0.00 H new ATOM 0 HA PHE B 3 18.391 4.421 0.303 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.400 3.936 0.301 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.645 5.031 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.889 4.292 2.834 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.081 7.251 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.810 6.059 4.584 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.002 9.018 1.556 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.366 8.422 3.944 1.00 0.00 H new ATOM 1692 N ARG B 4 17.997 3.031 -1.743 1.00 0.00 N ATOM 1693 CA ARG B 4 17.790 2.255 -3.008 1.00 0.00 C ATOM 1694 C ARG B 4 17.741 3.231 -4.197 1.00 0.00 C ATOM 1695 O ARG B 4 18.725 3.412 -4.887 1.00 0.00 O ATOM 1696 CB ARG B 4 16.473 1.444 -2.891 1.00 0.00 C ATOM 1697 CG ARG B 4 16.708 -0.047 -3.220 1.00 0.00 C ATOM 1698 CD ARG B 4 17.466 -0.215 -4.564 1.00 0.00 C ATOM 1699 NE ARG B 4 16.734 -1.173 -5.451 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.329 -2.331 -5.004 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.630 -2.708 -3.791 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.638 -3.120 -5.779 1.00 0.00 N ATOM 0 H ARG B 4 17.211 3.620 -1.468 1.00 0.00 H new ATOM 0 HA ARG B 4 18.612 1.558 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.072 1.538 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.727 1.856 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.279 -0.513 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.751 -0.565 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.562 0.751 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.476 -0.579 -4.378 1.00 0.00 H new ATOM 0 HE ARG B 4 16.548 -0.917 -6.421 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.183 -2.097 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.312 -3.613 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.415 -2.832 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.320 -4.025 -5.432 1.00 0.00 H new ATOM 1716 N TYR B 5 16.611 3.863 -4.441 1.00 0.00 N ATOM 1717 CA TYR B 5 16.510 4.830 -5.588 1.00 0.00 C ATOM 1718 C TYR B 5 15.896 6.159 -5.124 1.00 0.00 C ATOM 1719 O TYR B 5 15.800 6.440 -3.945 1.00 0.00 O ATOM 1720 CB TYR B 5 15.688 4.214 -6.738 1.00 0.00 C ATOM 1721 CG TYR B 5 14.526 3.408 -6.213 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.693 2.045 -5.912 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.270 4.010 -6.059 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.605 1.286 -5.442 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.181 3.252 -5.596 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.348 1.891 -5.284 1.00 0.00 C ATOM 1727 OH TYR B 5 11.275 1.151 -4.827 1.00 0.00 O ATOM 0 H TYR B 5 15.756 3.751 -3.896 1.00 0.00 H new ATOM 0 HA TYR B 5 17.514 5.036 -5.958 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.319 5.007 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.330 3.576 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.659 1.579 -6.042 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.139 5.056 -6.296 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.737 0.241 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.213 3.716 -5.479 1.00 0.00 H new ATOM 0 HH TYR B 5 11.583 0.261 -4.557 1.00 0.00 H new ATOM 1737 N VAL B 6 15.541 7.001 -6.059 1.00 0.00 N ATOM 1738 CA VAL B 6 15.000 8.353 -5.716 1.00 0.00 C ATOM 1739 C VAL B 6 13.568 8.300 -5.177 1.00 0.00 C ATOM 1740 O VAL B 6 12.757 7.486 -5.579 1.00 0.00 O ATOM 1741 CB VAL B 6 15.003 9.221 -6.979 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.903 10.696 -6.593 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.296 8.990 -7.754 1.00 0.00 C ATOM 0 H VAL B 6 15.603 6.808 -7.059 1.00 0.00 H new ATOM 0 HA VAL B 6 15.637 8.767 -4.935 1.00 0.00 H new ATOM 0 HB VAL B 6 14.150 8.950 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.906 11.309 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.978 10.866 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.754 10.967 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.297 9.608 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.148 9.257 -7.129 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.368 7.940 -8.036 1.00 0.00 H new ATOM 1753 N CYS B 7 13.248 9.218 -4.296 1.00 0.00 N ATOM 1754 CA CYS B 7 11.866 9.307 -3.739 1.00 0.00 C ATOM 1755 C CYS B 7 11.136 10.443 -4.456 1.00 0.00 C ATOM 1756 O CYS B 7 11.258 11.595 -4.088 1.00 0.00 O ATOM 1757 CB CYS B 7 11.916 9.604 -2.233 1.00 0.00 C ATOM 1758 SG CYS B 7 13.249 8.663 -1.451 1.00 0.00 S ATOM 0 H CYS B 7 13.897 9.918 -3.936 1.00 0.00 H new ATOM 0 HA CYS B 7 11.347 8.360 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.071 10.671 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.962 9.347 -1.773 1.00 0.00 H new ATOM 1763 N GLU B 8 10.391 10.143 -5.484 1.00 0.00 N ATOM 1764 CA GLU B 8 9.680 11.231 -6.218 1.00 0.00 C ATOM 1765 C GLU B 8 8.365 11.572 -5.514 1.00 0.00 C ATOM 1766 O GLU B 8 7.326 11.734 -6.134 1.00 0.00 O ATOM 1767 CB GLU B 8 9.399 10.796 -7.660 1.00 0.00 C ATOM 1768 CG GLU B 8 8.935 9.335 -7.685 1.00 0.00 C ATOM 1769 CD GLU B 8 8.208 9.053 -9.005 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.870 9.031 -10.028 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.005 8.860 -8.966 1.00 0.00 O ATOM 0 H GLU B 8 10.244 9.201 -5.846 1.00 0.00 H new ATOM 0 HA GLU B 8 10.315 12.117 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.635 11.437 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.298 10.911 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.791 8.668 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.272 9.138 -6.843 1.00 0.00 H new ATOM 1778 N GLY B 9 8.408 11.723 -4.224 1.00 0.00 N ATOM 1779 CA GLY B 9 7.174 12.098 -3.489 1.00 0.00 C ATOM 1780 C GLY B 9 6.861 13.567 -3.845 1.00 0.00 C ATOM 1781 O GLY B 9 6.885 13.903 -5.014 1.00 0.00 O ATOM 0 H GLY B 9 9.241 11.604 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.345 11.449 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.316 11.984 -2.414 1.00 0.00 H new ATOM 1785 N PRO B 10 6.607 14.429 -2.874 1.00 0.00 N ATOM 1786 CA PRO B 10 6.342 15.848 -3.181 1.00 0.00 C ATOM 1787 C PRO B 10 7.619 16.483 -3.756 1.00 0.00 C ATOM 1788 O PRO B 10 7.788 17.686 -3.747 1.00 0.00 O ATOM 1789 CB PRO B 10 5.950 16.488 -1.826 1.00 0.00 C ATOM 1790 CG PRO B 10 6.072 15.381 -0.738 1.00 0.00 C ATOM 1791 CD PRO B 10 6.548 14.088 -1.437 1.00 0.00 C ATOM 0 HA PRO B 10 5.553 15.989 -3.920 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.605 17.328 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.933 16.878 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.779 15.681 0.035 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.112 15.220 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.524 13.775 -1.065 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.858 13.264 -1.255 1.00 0.00 H new ATOM 1799 N SER B 11 8.514 15.675 -4.253 1.00 0.00 N ATOM 1800 CA SER B 11 9.781 16.202 -4.825 1.00 0.00 C ATOM 1801 C SER B 11 9.532 16.692 -6.253 1.00 0.00 C ATOM 1802 O SER B 11 9.864 17.807 -6.605 1.00 0.00 O ATOM 1803 CB SER B 11 10.827 15.083 -4.839 1.00 0.00 C ATOM 1804 OG SER B 11 11.822 15.382 -5.809 1.00 0.00 O ATOM 0 H SER B 11 8.419 14.660 -4.287 1.00 0.00 H new ATOM 0 HA SER B 11 10.142 17.033 -4.219 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.282 14.983 -3.854 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.353 14.129 -5.070 1.00 0.00 H new ATOM 0 HG SER B 11 12.494 14.668 -5.819 1.00 0.00 H new ATOM 1810 N HIS B 12 8.948 15.865 -7.079 1.00 0.00 N ATOM 1811 CA HIS B 12 8.675 16.278 -8.486 1.00 0.00 C ATOM 1812 C HIS B 12 7.399 17.122 -8.532 1.00 0.00 C ATOM 1813 O HIS B 12 6.547 17.024 -7.670 1.00 0.00 O ATOM 1814 CB HIS B 12 8.495 15.031 -9.355 1.00 0.00 C ATOM 1815 CG HIS B 12 8.191 15.441 -10.770 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.674 16.619 -11.320 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.455 14.840 -11.760 1.00 0.00 C ATOM 1818 CE1 HIS B 12 8.228 16.687 -12.587 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.480 15.628 -12.907 1.00 0.00 N ATOM 0 H HIS B 12 8.648 14.920 -6.839 1.00 0.00 H new ATOM 0 HA HIS B 12 9.512 16.866 -8.862 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.399 14.423 -9.328 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.686 14.416 -8.962 1.00 0.00 H new ATOM 0 HD2 HIS B 12 6.935 13.898 -11.664 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.448 17.500 -13.264 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.025 15.438 -13.800 1.00 0.00 H new ATOM 1827 N GLY B 13 7.259 17.949 -9.531 1.00 0.00 N ATOM 1828 CA GLY B 13 6.037 18.798 -9.630 1.00 0.00 C ATOM 1829 C GLY B 13 6.036 19.828 -8.499 1.00 0.00 C ATOM 1830 O GLY B 13 6.270 20.991 -8.783 1.00 0.00 O ATOM 1831 OXT GLY B 13 5.800 19.436 -7.369 1.00 0.00 O ATOM 0 H GLY B 13 7.937 18.074 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.010 19.303 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.144 18.176 -9.570 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.115 -10.538 -1.471 1.00 0.24 O HETATM 1839 O HOH A 107 8.677 -4.846 2.950 1.00 0.40 O HETATM 1842 O HOH A 108 12.879 1.412 2.119 1.00 0.32 O HETATM 1845 O HOH A 109 -8.814 -8.757 -0.124 1.00 0.26 O HETATM 1848 O HOH A 110 -7.565 -13.157 0.627 1.00 0.21 O HETATM 1851 O HOH A 111 -12.549 -3.284 0.308 1.00 0.37 O