USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Set 1.2: A 48 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.392 K(o=0.15,f=-2.1!) USER MOD Set 2.2: A 72 THR OG1 : rot -7:sc= 0.54 USER MOD Single : A 1 MET CE :methyl -122:sc= 0 (180deg=-0.557) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.21 (180deg=0.452) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.55 F(o=-1.5,f=-0.55) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc=-0.000237 (180deg=-0.0911) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0881 USER MOD Single : A 10 SER OG : rot 90:sc= -0.181 USER MOD Single : A 12 ASN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 29 SER OG : rot 42:sc= 0.0794 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -136:sc= 0.682 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 130:sc= 0.172 USER MOD Single : A 38 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.28) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 113:sc= 0.368 USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= 0.517 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0739 X(o=-0.074,f=-0.025) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 124:sc= 0.233 USER MOD Single : A 79 HIS : no HE2:sc= 0.0301 K(o=0.03,f=-0.58) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HE2:sc= 0.122 K(o=0.12,f=-0.9) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.626 12.237 -15.542 1.00 51.12 N ATOM 2 CA MET A 1 -0.319 12.464 -16.219 1.00 43.31 C ATOM 3 C MET A 1 0.697 11.366 -15.848 1.00 14.25 C ATOM 4 O MET A 1 1.574 11.021 -16.649 1.00 50.45 O ATOM 5 CB MET A 1 0.235 13.875 -15.878 1.00 41.44 C ATOM 6 CG MET A 1 0.730 14.067 -14.433 1.00 0.43 C ATOM 7 SD MET A 1 -0.531 13.701 -13.187 1.00 41.42 S ATOM 8 CE MET A 1 0.399 13.958 -11.673 1.00 24.42 C ATOM 0 H1 MET A 1 -2.363 12.798 -16.014 1.00 51.12 H new ATOM 0 H2 MET A 1 -1.873 11.228 -15.593 1.00 51.12 H new ATOM 0 H3 MET A 1 -1.556 12.526 -14.545 1.00 51.12 H new ATOM 0 HA MET A 1 -0.482 12.413 -17.296 1.00 43.31 H new ATOM 0 HB2 MET A 1 1.059 14.095 -16.557 1.00 41.44 H new ATOM 0 HB3 MET A 1 -0.546 14.609 -16.075 1.00 41.44 H new ATOM 0 HG2 MET A 1 1.594 13.424 -14.264 1.00 0.43 H new ATOM 0 HG3 MET A 1 1.068 15.095 -14.306 1.00 0.43 H new ATOM 0 HE1 MET A 1 0.385 13.045 -11.078 1.00 24.42 H new ATOM 0 HE2 MET A 1 1.429 14.216 -11.918 1.00 24.42 H new ATOM 0 HE3 MET A 1 -0.052 14.770 -11.102 1.00 24.42 H new ATOM 20 N GLY A 2 0.566 10.831 -14.623 1.00 53.23 N ATOM 21 CA GLY A 2 1.426 9.763 -14.135 1.00 10.21 C ATOM 22 C GLY A 2 0.711 8.948 -13.069 1.00 43.52 C ATOM 23 O GLY A 2 0.196 9.525 -12.108 1.00 52.52 O ATOM 0 H GLY A 2 -0.140 11.132 -13.951 1.00 53.23 H new ATOM 0 HA2 GLY A 2 1.716 9.115 -14.962 1.00 10.21 H new ATOM 0 HA3 GLY A 2 2.343 10.186 -13.724 1.00 10.21 H new ATOM 27 N GLN A 3 0.628 7.618 -13.269 1.00 23.41 N ATOM 28 CA GLN A 3 -0.001 6.700 -12.302 1.00 24.32 C ATOM 29 C GLN A 3 0.837 6.652 -11.012 1.00 35.31 C ATOM 30 O GLN A 3 2.041 6.372 -11.050 1.00 5.14 O ATOM 31 CB GLN A 3 -0.137 5.274 -12.899 1.00 44.14 C ATOM 32 CG GLN A 3 -0.781 4.238 -11.947 1.00 22.10 C ATOM 33 CD GLN A 3 -0.735 2.810 -12.490 1.00 4.35 C ATOM 34 OE1 GLN A 3 0.356 2.106 -12.222 1.00 22.44 O flip ATOM 35 NE2 GLN A 3 -1.652 2.352 -13.172 1.00 5.11 N flip ATOM 0 H GLN A 3 0.993 7.153 -14.100 1.00 23.41 H new ATOM 0 HA GLN A 3 -1.000 7.070 -12.073 1.00 24.32 H new ATOM 0 HB2 GLN A 3 -0.733 5.331 -13.810 1.00 44.14 H new ATOM 0 HB3 GLN A 3 0.852 4.918 -13.187 1.00 44.14 H new ATOM 0 HG2 GLN A 3 -0.269 4.271 -10.985 1.00 22.10 H new ATOM 0 HG3 GLN A 3 -1.819 4.517 -11.765 1.00 22.10 H new ATOM 0 HE21 GLN A 3 -2.479 2.918 -13.361 1.00 5.11 H new ATOM 0 HE22 GLN A 3 -1.585 1.406 -13.548 1.00 5.11 H new ATOM 44 N TRP A 4 0.183 6.920 -9.884 1.00 21.43 N ATOM 45 CA TRP A 4 0.826 6.968 -8.573 1.00 63.34 C ATOM 46 C TRP A 4 0.914 5.535 -8.011 1.00 25.40 C ATOM 47 O TRP A 4 -0.104 4.840 -7.893 1.00 63.42 O ATOM 48 CB TRP A 4 0.028 7.903 -7.629 1.00 12.23 C ATOM 49 CG TRP A 4 -0.240 9.281 -8.215 1.00 25.13 C ATOM 50 CD1 TRP A 4 0.502 10.417 -8.039 1.00 43.55 C ATOM 51 CD2 TRP A 4 -1.328 9.653 -9.089 1.00 44.12 C ATOM 52 NE1 TRP A 4 -0.055 11.460 -8.739 1.00 52.22 N ATOM 53 CE2 TRP A 4 -1.175 11.016 -9.389 1.00 33.11 C ATOM 54 CE3 TRP A 4 -2.418 8.962 -9.639 1.00 22.12 C ATOM 55 CZ2 TRP A 4 -2.055 11.697 -10.220 1.00 23.34 C ATOM 56 CZ3 TRP A 4 -3.291 9.641 -10.462 1.00 14.02 C ATOM 57 CH2 TRP A 4 -3.108 10.999 -10.743 1.00 74.44 C ATOM 0 H TRP A 4 -0.818 7.112 -9.854 1.00 21.43 H new ATOM 0 HA TRP A 4 1.835 7.371 -8.659 1.00 63.34 H new ATOM 0 HB2 TRP A 4 -0.923 7.431 -7.384 1.00 12.23 H new ATOM 0 HB3 TRP A 4 0.578 8.016 -6.695 1.00 12.23 H new ATOM 0 HD1 TRP A 4 1.396 10.484 -7.437 1.00 43.55 H new ATOM 0 HE1 TRP A 4 0.308 12.413 -8.769 1.00 52.22 H new ATOM 0 HE3 TRP A 4 -2.571 7.915 -9.421 1.00 22.12 H new ATOM 0 HZ2 TRP A 4 -1.912 12.743 -10.446 1.00 23.34 H new ATOM 0 HZ3 TRP A 4 -4.129 9.116 -10.896 1.00 14.02 H new ATOM 0 HH2 TRP A 4 -3.812 11.506 -11.386 1.00 74.44 H new ATOM 68 N GLN A 5 2.142 5.095 -7.714 1.00 12.43 N ATOM 69 CA GLN A 5 2.433 3.731 -7.252 1.00 42.42 C ATOM 70 C GLN A 5 3.130 3.792 -5.877 1.00 53.43 C ATOM 71 O GLN A 5 4.224 4.353 -5.743 1.00 12.14 O ATOM 72 CB GLN A 5 3.297 3.005 -8.318 1.00 31.14 C ATOM 73 CG GLN A 5 3.813 1.619 -7.918 1.00 24.51 C ATOM 74 CD GLN A 5 4.596 0.940 -9.041 1.00 44.42 C ATOM 75 OE1 GLN A 5 4.035 0.204 -9.854 1.00 62.11 O ATOM 76 NE2 GLN A 5 5.889 1.215 -9.117 1.00 43.52 N ATOM 0 H GLN A 5 2.972 5.683 -7.788 1.00 12.43 H new ATOM 0 HA GLN A 5 1.512 3.162 -7.127 1.00 42.42 H new ATOM 0 HB2 GLN A 5 2.709 2.905 -9.230 1.00 31.14 H new ATOM 0 HB3 GLN A 5 4.152 3.636 -8.558 1.00 31.14 H new ATOM 0 HG2 GLN A 5 4.451 1.712 -7.039 1.00 24.51 H new ATOM 0 HG3 GLN A 5 2.970 0.989 -7.635 1.00 24.51 H new ATOM 0 HE21 GLN A 5 6.321 1.829 -8.427 1.00 43.52 H new ATOM 0 HE22 GLN A 5 6.453 0.813 -9.866 1.00 43.52 H new ATOM 85 N ILE A 6 2.454 3.235 -4.865 1.00 43.11 N ATOM 86 CA ILE A 6 2.888 3.224 -3.460 1.00 53.22 C ATOM 87 C ILE A 6 3.586 1.880 -3.166 1.00 40.43 C ATOM 88 O ILE A 6 3.061 0.825 -3.517 1.00 65.33 O ATOM 89 CB ILE A 6 1.629 3.404 -2.519 1.00 11.44 C ATOM 90 CG1 ILE A 6 0.795 4.650 -2.953 1.00 20.22 C ATOM 91 CG2 ILE A 6 2.026 3.503 -1.022 1.00 30.32 C ATOM 92 CD1 ILE A 6 -0.534 4.799 -2.234 1.00 10.11 C ATOM 0 H ILE A 6 1.560 2.764 -5.005 1.00 43.11 H new ATOM 0 HA ILE A 6 3.584 4.042 -3.275 1.00 53.22 H new ATOM 0 HB ILE A 6 1.012 2.512 -2.628 1.00 11.44 H new ATOM 0 HG12 ILE A 6 1.389 5.547 -2.781 1.00 20.22 H new ATOM 0 HG13 ILE A 6 0.609 4.592 -4.025 1.00 20.22 H new ATOM 0 HG21 ILE A 6 1.129 3.626 -0.415 1.00 30.32 H new ATOM 0 HG22 ILE A 6 2.545 2.593 -0.722 1.00 30.32 H new ATOM 0 HG23 ILE A 6 2.683 4.360 -0.876 1.00 30.32 H new ATOM 0 HD11 ILE A 6 -1.046 5.690 -2.597 1.00 10.11 H new ATOM 0 HD12 ILE A 6 -1.152 3.922 -2.426 1.00 10.11 H new ATOM 0 HD13 ILE A 6 -0.359 4.892 -1.162 1.00 10.11 H new ATOM 104 N LYS A 7 4.769 1.931 -2.545 1.00 33.35 N ATOM 105 CA LYS A 7 5.569 0.746 -2.196 1.00 4.44 C ATOM 106 C LYS A 7 5.751 0.715 -0.677 1.00 5.42 C ATOM 107 O LYS A 7 6.442 1.562 -0.108 1.00 14.52 O ATOM 108 CB LYS A 7 6.943 0.780 -2.928 1.00 3.33 C ATOM 109 CG LYS A 7 6.852 0.582 -4.458 1.00 44.12 C ATOM 110 CD LYS A 7 8.230 0.694 -5.158 1.00 34.51 C ATOM 111 CE LYS A 7 8.153 0.397 -6.664 1.00 42.35 C ATOM 112 NZ LYS A 7 7.761 -1.012 -6.938 1.00 32.45 N ATOM 0 H LYS A 7 5.207 2.809 -2.265 1.00 33.35 H new ATOM 0 HA LYS A 7 5.055 -0.160 -2.517 1.00 4.44 H new ATOM 0 HB2 LYS A 7 7.426 1.736 -2.725 1.00 3.33 H new ATOM 0 HB3 LYS A 7 7.584 0.004 -2.510 1.00 3.33 H new ATOM 0 HG2 LYS A 7 6.420 -0.397 -4.669 1.00 44.12 H new ATOM 0 HG3 LYS A 7 6.175 1.326 -4.877 1.00 44.12 H new ATOM 0 HD2 LYS A 7 8.629 1.698 -5.009 1.00 34.51 H new ATOM 0 HD3 LYS A 7 8.929 0.001 -4.690 1.00 34.51 H new ATOM 0 HE2 LYS A 7 7.433 1.070 -7.129 1.00 42.35 H new ATOM 0 HE3 LYS A 7 9.121 0.599 -7.123 1.00 42.35 H new ATOM 0 HZ1 LYS A 7 7.869 -1.211 -7.953 1.00 32.45 H new ATOM 0 HZ2 LYS A 7 8.371 -1.654 -6.393 1.00 32.45 H new ATOM 0 HZ3 LYS A 7 6.769 -1.157 -6.660 1.00 32.45 H new ATOM 126 N ILE A 8 5.106 -0.254 -0.036 1.00 70.14 N ATOM 127 CA ILE A 8 5.106 -0.418 1.419 1.00 65.13 C ATOM 128 C ILE A 8 6.172 -1.469 1.779 1.00 34.43 C ATOM 129 O ILE A 8 6.131 -2.586 1.266 1.00 12.13 O ATOM 130 CB ILE A 8 3.684 -0.893 1.909 1.00 20.24 C ATOM 131 CG1 ILE A 8 2.568 0.091 1.425 1.00 51.40 C ATOM 132 CG2 ILE A 8 3.641 -1.078 3.443 1.00 32.23 C ATOM 133 CD1 ILE A 8 1.145 -0.370 1.709 1.00 34.22 C ATOM 0 H ILE A 8 4.556 -0.964 -0.521 1.00 70.14 H new ATOM 0 HA ILE A 8 5.333 0.530 1.907 1.00 65.13 H new ATOM 0 HB ILE A 8 3.491 -1.868 1.461 1.00 20.24 H new ATOM 0 HG12 ILE A 8 2.724 1.058 1.902 1.00 51.40 H new ATOM 0 HG13 ILE A 8 2.678 0.244 0.351 1.00 51.40 H new ATOM 0 HG21 ILE A 8 2.645 -1.406 3.742 1.00 32.23 H new ATOM 0 HG22 ILE A 8 4.374 -1.828 3.740 1.00 32.23 H new ATOM 0 HG23 ILE A 8 3.873 -0.131 3.930 1.00 32.23 H new ATOM 0 HD11 ILE A 8 0.441 0.375 1.339 1.00 34.22 H new ATOM 0 HD12 ILE A 8 0.964 -1.321 1.209 1.00 34.22 H new ATOM 0 HD13 ILE A 8 1.010 -0.494 2.784 1.00 34.22 H new ATOM 145 N TYR A 9 7.135 -1.086 2.617 1.00 61.21 N ATOM 146 CA TYR A 9 8.211 -1.959 3.100 1.00 22.15 C ATOM 147 C TYR A 9 8.096 -2.042 4.625 1.00 73.13 C ATOM 148 O TYR A 9 8.249 -1.023 5.300 1.00 33.21 O ATOM 149 CB TYR A 9 9.608 -1.374 2.719 1.00 3.14 C ATOM 150 CG TYR A 9 9.834 -1.124 1.218 1.00 73.44 C ATOM 151 CD1 TYR A 9 10.027 -2.190 0.338 1.00 73.45 C ATOM 152 CD2 TYR A 9 9.881 0.173 0.689 1.00 44.45 C ATOM 153 CE1 TYR A 9 10.245 -1.975 -1.011 1.00 11.22 C ATOM 154 CE2 TYR A 9 10.103 0.390 -0.662 1.00 41.34 C ATOM 155 CZ TYR A 9 10.289 -0.685 -1.507 1.00 31.32 C ATOM 156 OH TYR A 9 10.515 -0.473 -2.854 1.00 3.14 O ATOM 0 H TYR A 9 7.192 -0.138 2.989 1.00 61.21 H new ATOM 0 HA TYR A 9 8.118 -2.945 2.645 1.00 22.15 H new ATOM 0 HB2 TYR A 9 9.746 -0.433 3.251 1.00 3.14 H new ATOM 0 HB3 TYR A 9 10.378 -2.058 3.076 1.00 3.14 H new ATOM 0 HD1 TYR A 9 10.006 -3.201 0.717 1.00 73.45 H new ATOM 0 HD2 TYR A 9 9.742 1.019 1.346 1.00 44.45 H new ATOM 0 HE1 TYR A 9 10.381 -2.815 -1.677 1.00 11.22 H new ATOM 0 HE2 TYR A 9 10.130 1.397 -1.052 1.00 41.34 H new ATOM 0 HH TYR A 9 10.514 0.490 -3.038 1.00 3.14 H new ATOM 166 N SER A 10 7.783 -3.221 5.163 1.00 4.51 N ATOM 167 CA SER A 10 7.778 -3.442 6.618 1.00 4.32 C ATOM 168 C SER A 10 8.316 -4.835 6.936 1.00 60.43 C ATOM 169 O SER A 10 8.138 -5.778 6.156 1.00 74.34 O ATOM 170 CB SER A 10 6.370 -3.253 7.224 1.00 73.02 C ATOM 171 OG SER A 10 6.401 -3.412 8.637 1.00 72.25 O ATOM 0 H SER A 10 7.528 -4.043 4.615 1.00 4.51 H new ATOM 0 HA SER A 10 8.428 -2.694 7.072 1.00 4.32 H new ATOM 0 HB2 SER A 10 5.992 -2.262 6.974 1.00 73.02 H new ATOM 0 HB3 SER A 10 5.682 -3.977 6.787 1.00 73.02 H new ATOM 0 HG SER A 10 6.580 -2.546 9.060 1.00 72.25 H new ATOM 177 N GLU A 11 8.970 -4.929 8.099 1.00 74.43 N ATOM 178 CA GLU A 11 9.544 -6.172 8.624 1.00 51.33 C ATOM 179 C GLU A 11 8.466 -6.992 9.381 1.00 24.14 C ATOM 180 O GLU A 11 8.676 -8.165 9.709 1.00 41.14 O ATOM 181 CB GLU A 11 10.742 -5.799 9.541 1.00 41.22 C ATOM 182 CG GLU A 11 11.650 -6.971 9.959 1.00 12.20 C ATOM 183 CD GLU A 11 12.919 -6.514 10.699 1.00 13.45 C ATOM 184 OE1 GLU A 11 13.883 -6.074 10.033 1.00 44.23 O ATOM 185 OE2 GLU A 11 12.959 -6.586 11.947 1.00 14.54 O ATOM 0 H GLU A 11 9.118 -4.128 8.713 1.00 74.43 H new ATOM 0 HA GLU A 11 9.900 -6.804 7.811 1.00 51.33 H new ATOM 0 HB2 GLU A 11 11.352 -5.056 9.028 1.00 41.22 H new ATOM 0 HB3 GLU A 11 10.353 -5.325 10.442 1.00 41.22 H new ATOM 0 HG2 GLU A 11 11.087 -7.649 10.600 1.00 12.20 H new ATOM 0 HG3 GLU A 11 11.937 -7.536 9.072 1.00 12.20 H new ATOM 192 N ASN A 12 7.301 -6.352 9.650 1.00 73.55 N ATOM 193 CA ASN A 12 6.150 -6.995 10.325 1.00 15.01 C ATOM 194 C ASN A 12 5.020 -7.280 9.309 1.00 2.20 C ATOM 195 O ASN A 12 4.679 -6.428 8.477 1.00 3.43 O ATOM 196 CB ASN A 12 5.629 -6.113 11.498 1.00 72.14 C ATOM 197 CG ASN A 12 4.443 -6.735 12.272 1.00 21.20 C ATOM 198 OD1 ASN A 12 4.273 -7.953 12.328 1.00 31.01 O ATOM 199 ND2 ASN A 12 3.621 -5.907 12.891 1.00 33.53 N ATOM 0 H ASN A 12 7.135 -5.376 9.404 1.00 73.55 H new ATOM 0 HA ASN A 12 6.485 -7.944 10.743 1.00 15.01 H new ATOM 0 HB2 ASN A 12 6.448 -5.930 12.194 1.00 72.14 H new ATOM 0 HB3 ASN A 12 5.324 -5.144 11.103 1.00 72.14 H new ATOM 0 HD21 ASN A 12 2.833 -6.274 13.424 1.00 33.53 H new ATOM 0 HD22 ASN A 12 3.774 -4.900 12.836 1.00 33.53 H new ATOM 206 N GLU A 13 4.441 -8.486 9.426 1.00 24.12 N ATOM 207 CA GLU A 13 3.368 -8.990 8.549 1.00 72.01 C ATOM 208 C GLU A 13 2.032 -8.254 8.779 1.00 1.54 C ATOM 209 O GLU A 13 1.301 -7.993 7.813 1.00 23.25 O ATOM 210 CB GLU A 13 3.203 -10.517 8.773 1.00 53.22 C ATOM 211 CG GLU A 13 2.979 -10.936 10.244 1.00 24.11 C ATOM 212 CD GLU A 13 2.934 -12.456 10.449 1.00 42.34 C ATOM 213 OE1 GLU A 13 3.977 -13.110 10.260 1.00 30.02 O ATOM 214 OE2 GLU A 13 1.866 -13.006 10.782 1.00 41.14 O ATOM 0 H GLU A 13 4.711 -9.154 10.148 1.00 24.12 H new ATOM 0 HA GLU A 13 3.653 -8.798 7.515 1.00 72.01 H new ATOM 0 HB2 GLU A 13 2.360 -10.868 8.178 1.00 53.22 H new ATOM 0 HB3 GLU A 13 4.092 -11.023 8.397 1.00 53.22 H new ATOM 0 HG2 GLU A 13 3.777 -10.518 10.858 1.00 24.11 H new ATOM 0 HG3 GLU A 13 2.044 -10.502 10.598 1.00 24.11 H new ATOM 221 N ARG A 14 1.742 -7.898 10.055 1.00 53.22 N ATOM 222 CA ARG A 14 0.478 -7.228 10.444 1.00 42.53 C ATOM 223 C ARG A 14 0.264 -5.912 9.679 1.00 25.32 C ATOM 224 O ARG A 14 -0.852 -5.627 9.259 1.00 13.30 O ATOM 225 CB ARG A 14 0.427 -6.947 11.973 1.00 22.04 C ATOM 226 CG ARG A 14 0.068 -8.148 12.864 1.00 61.41 C ATOM 227 CD ARG A 14 -1.363 -8.672 12.609 1.00 23.24 C ATOM 228 NE ARG A 14 -2.382 -7.589 12.650 1.00 11.04 N ATOM 229 CZ ARG A 14 -3.412 -7.491 13.527 1.00 55.13 C ATOM 230 NH1 ARG A 14 -3.601 -8.399 14.487 1.00 21.34 N ATOM 231 NH2 ARG A 14 -4.271 -6.478 13.423 1.00 10.52 N ATOM 0 H ARG A 14 2.374 -8.066 10.838 1.00 53.22 H new ATOM 0 HA ARG A 14 -0.324 -7.917 10.181 1.00 42.53 H new ATOM 0 HB2 ARG A 14 1.399 -6.565 12.285 1.00 22.04 H new ATOM 0 HB3 ARG A 14 -0.300 -6.155 12.153 1.00 22.04 H new ATOM 0 HG2 ARG A 14 0.782 -8.952 12.688 1.00 61.41 H new ATOM 0 HG3 ARG A 14 0.164 -7.860 13.911 1.00 61.41 H new ATOM 0 HD2 ARG A 14 -1.399 -9.163 11.637 1.00 23.24 H new ATOM 0 HD3 ARG A 14 -1.609 -9.426 13.356 1.00 23.24 H new ATOM 0 HE ARG A 14 -2.298 -6.850 11.952 1.00 11.04 H new ATOM 0 HH11 ARG A 14 -2.963 -9.190 14.574 1.00 21.34 H new ATOM 0 HH12 ARG A 14 -4.384 -8.302 15.134 1.00 21.34 H new ATOM 0 HH21 ARG A 14 -4.152 -5.782 12.687 1.00 10.52 H new ATOM 0 HH22 ARG A 14 -5.048 -6.399 14.079 1.00 10.52 H new ATOM 245 N GLU A 15 1.357 -5.152 9.473 1.00 30.02 N ATOM 246 CA GLU A 15 1.317 -3.835 8.798 1.00 4.31 C ATOM 247 C GLU A 15 0.714 -3.955 7.378 1.00 54.31 C ATOM 248 O GLU A 15 -0.065 -3.105 6.945 1.00 32.11 O ATOM 249 CB GLU A 15 2.739 -3.233 8.717 1.00 1.40 C ATOM 250 CG GLU A 15 3.553 -3.311 10.023 1.00 72.23 C ATOM 251 CD GLU A 15 2.882 -2.651 11.238 1.00 43.21 C ATOM 252 OE1 GLU A 15 2.811 -1.412 11.279 1.00 20.14 O ATOM 253 OE2 GLU A 15 2.464 -3.358 12.175 1.00 13.20 O ATOM 0 H GLU A 15 2.293 -5.431 9.768 1.00 30.02 H new ATOM 0 HA GLU A 15 0.680 -3.174 9.386 1.00 4.31 H new ATOM 0 HB2 GLU A 15 3.291 -3.748 7.931 1.00 1.40 H new ATOM 0 HB3 GLU A 15 2.659 -2.188 8.418 1.00 1.40 H new ATOM 0 HG2 GLU A 15 3.743 -4.359 10.255 1.00 72.23 H new ATOM 0 HG3 GLU A 15 4.522 -2.840 9.860 1.00 72.23 H new ATOM 260 N PHE A 16 1.084 -5.053 6.697 1.00 24.14 N ATOM 261 CA PHE A 16 0.568 -5.416 5.368 1.00 11.23 C ATOM 262 C PHE A 16 -0.873 -5.932 5.453 1.00 21.10 C ATOM 263 O PHE A 16 -1.696 -5.606 4.592 1.00 42.54 O ATOM 264 CB PHE A 16 1.482 -6.499 4.725 1.00 51.51 C ATOM 265 CG PHE A 16 2.791 -5.958 4.152 1.00 0.23 C ATOM 266 CD1 PHE A 16 3.567 -5.028 4.850 1.00 13.25 C ATOM 267 CD2 PHE A 16 3.225 -6.358 2.897 1.00 64.44 C ATOM 268 CE1 PHE A 16 4.733 -4.532 4.307 1.00 54.31 C ATOM 269 CE2 PHE A 16 4.381 -5.855 2.364 1.00 21.53 C ATOM 270 CZ PHE A 16 5.136 -4.941 3.065 1.00 61.13 C ATOM 0 H PHE A 16 1.761 -5.723 7.061 1.00 24.14 H new ATOM 0 HA PHE A 16 0.570 -4.521 4.746 1.00 11.23 H new ATOM 0 HB2 PHE A 16 1.713 -7.255 5.475 1.00 51.51 H new ATOM 0 HB3 PHE A 16 0.929 -6.998 3.929 1.00 51.51 H new ATOM 0 HD1 PHE A 16 3.249 -4.694 5.827 1.00 13.25 H new ATOM 0 HD2 PHE A 16 2.645 -7.074 2.334 1.00 64.44 H new ATOM 0 HE1 PHE A 16 5.328 -3.821 4.861 1.00 54.31 H new ATOM 0 HE2 PHE A 16 4.704 -6.178 1.385 1.00 21.53 H new ATOM 0 HZ PHE A 16 6.045 -4.548 2.635 1.00 61.13 H new ATOM 280 N ARG A 17 -1.163 -6.719 6.511 1.00 73.34 N ATOM 281 CA ARG A 17 -2.475 -7.356 6.694 1.00 72.45 C ATOM 282 C ARG A 17 -3.586 -6.319 6.797 1.00 14.01 C ATOM 283 O ARG A 17 -4.622 -6.489 6.157 1.00 63.44 O ATOM 284 CB ARG A 17 -2.503 -8.282 7.941 1.00 3.43 C ATOM 285 CG ARG A 17 -1.599 -9.527 7.854 1.00 5.24 C ATOM 286 CD ARG A 17 -1.771 -10.312 6.543 1.00 73.23 C ATOM 287 NE ARG A 17 -3.188 -10.615 6.230 1.00 73.53 N ATOM 288 CZ ARG A 17 -3.624 -11.708 5.572 1.00 41.30 C ATOM 289 NH1 ARG A 17 -2.771 -12.647 5.153 1.00 73.10 N ATOM 290 NH2 ARG A 17 -4.916 -11.837 5.294 1.00 23.53 N ATOM 0 H ARG A 17 -0.496 -6.927 7.255 1.00 73.34 H new ATOM 0 HA ARG A 17 -2.647 -7.970 5.810 1.00 72.45 H new ATOM 0 HB2 ARG A 17 -2.208 -7.699 8.813 1.00 3.43 H new ATOM 0 HB3 ARG A 17 -3.529 -8.609 8.108 1.00 3.43 H new ATOM 0 HG2 ARG A 17 -0.558 -9.219 7.951 1.00 5.24 H new ATOM 0 HG3 ARG A 17 -1.817 -10.185 8.695 1.00 5.24 H new ATOM 0 HD2 ARG A 17 -1.338 -9.738 5.723 1.00 73.23 H new ATOM 0 HD3 ARG A 17 -1.212 -11.245 6.609 1.00 73.23 H new ATOM 0 HE ARG A 17 -3.890 -9.942 6.537 1.00 73.53 H new ATOM 0 HH11 ARG A 17 -1.772 -12.544 5.329 1.00 73.10 H new ATOM 0 HH12 ARG A 17 -3.119 -13.467 4.657 1.00 73.10 H new ATOM 0 HH21 ARG A 17 -5.574 -11.111 5.578 1.00 23.53 H new ATOM 0 HH22 ARG A 17 -5.251 -12.662 4.796 1.00 23.53 H new ATOM 304 N GLU A 18 -3.322 -5.222 7.548 1.00 22.32 N ATOM 305 CA GLU A 18 -4.296 -4.140 7.747 1.00 33.14 C ATOM 306 C GLU A 18 -4.772 -3.635 6.376 1.00 30.24 C ATOM 307 O GLU A 18 -5.948 -3.758 6.047 1.00 11.11 O ATOM 308 CB GLU A 18 -3.680 -2.980 8.584 1.00 63.13 C ATOM 309 CG GLU A 18 -2.961 -3.421 9.882 1.00 41.23 C ATOM 310 CD GLU A 18 -3.770 -4.387 10.763 1.00 54.30 C ATOM 311 OE1 GLU A 18 -4.678 -3.935 11.499 1.00 12.31 O ATOM 312 OE2 GLU A 18 -3.492 -5.604 10.738 1.00 52.14 O ATOM 0 H GLU A 18 -2.434 -5.070 8.026 1.00 22.32 H new ATOM 0 HA GLU A 18 -5.149 -4.524 8.306 1.00 33.14 H new ATOM 0 HB2 GLU A 18 -2.970 -2.438 7.959 1.00 63.13 H new ATOM 0 HB3 GLU A 18 -4.473 -2.280 8.846 1.00 63.13 H new ATOM 0 HG2 GLU A 18 -2.017 -3.896 9.616 1.00 41.23 H new ATOM 0 HG3 GLU A 18 -2.717 -2.534 10.467 1.00 41.23 H new ATOM 319 N LEU A 19 -3.789 -3.240 5.539 1.00 63.35 N ATOM 320 CA LEU A 19 -4.033 -2.694 4.194 1.00 31.34 C ATOM 321 C LEU A 19 -4.773 -3.709 3.294 1.00 32.44 C ATOM 322 O LEU A 19 -5.822 -3.373 2.762 1.00 64.01 O ATOM 323 CB LEU A 19 -2.700 -2.218 3.528 1.00 43.10 C ATOM 324 CG LEU A 19 -2.149 -0.821 3.980 1.00 40.11 C ATOM 325 CD1 LEU A 19 -3.121 0.323 3.589 1.00 1.02 C ATOM 326 CD2 LEU A 19 -1.818 -0.791 5.492 1.00 51.40 C ATOM 0 H LEU A 19 -2.800 -3.293 5.782 1.00 63.35 H new ATOM 0 HA LEU A 19 -4.681 -1.825 4.307 1.00 31.34 H new ATOM 0 HB2 LEU A 19 -1.933 -2.967 3.727 1.00 43.10 H new ATOM 0 HB3 LEU A 19 -2.849 -2.193 2.448 1.00 43.10 H new ATOM 0 HG LEU A 19 -1.213 -0.657 3.446 1.00 40.11 H new ATOM 0 HD11 LEU A 19 -2.710 1.278 3.917 1.00 1.02 H new ATOM 0 HD12 LEU A 19 -3.251 0.336 2.507 1.00 1.02 H new ATOM 0 HD13 LEU A 19 -4.086 0.160 4.069 1.00 1.02 H new ATOM 0 HD21 LEU A 19 -1.440 0.195 5.762 1.00 51.40 H new ATOM 0 HD22 LEU A 19 -2.720 -1.003 6.066 1.00 51.40 H new ATOM 0 HD23 LEU A 19 -1.061 -1.543 5.714 1.00 51.40 H new ATOM 338 N ILE A 20 -4.254 -4.960 3.196 1.00 32.45 N ATOM 339 CA ILE A 20 -4.812 -6.014 2.299 1.00 24.11 C ATOM 340 C ILE A 20 -6.319 -6.262 2.572 1.00 30.21 C ATOM 341 O ILE A 20 -7.122 -6.281 1.627 1.00 12.05 O ATOM 342 CB ILE A 20 -4.005 -7.372 2.414 1.00 41.51 C ATOM 343 CG1 ILE A 20 -2.545 -7.215 1.872 1.00 72.05 C ATOM 344 CG2 ILE A 20 -4.721 -8.547 1.694 1.00 4.51 C ATOM 345 CD1 ILE A 20 -2.432 -6.933 0.376 1.00 0.14 C ATOM 0 H ILE A 20 -3.442 -5.268 3.731 1.00 32.45 H new ATOM 0 HA ILE A 20 -4.707 -5.641 1.280 1.00 24.11 H new ATOM 0 HB ILE A 20 -3.960 -7.614 3.476 1.00 41.51 H new ATOM 0 HG12 ILE A 20 -2.058 -6.405 2.416 1.00 72.05 H new ATOM 0 HG13 ILE A 20 -1.992 -8.127 2.096 1.00 72.05 H new ATOM 0 HG21 ILE A 20 -4.128 -9.455 1.802 1.00 4.51 H new ATOM 0 HG22 ILE A 20 -5.704 -8.701 2.138 1.00 4.51 H new ATOM 0 HG23 ILE A 20 -4.834 -8.311 0.636 1.00 4.51 H new ATOM 0 HD11 ILE A 20 -1.381 -6.841 0.101 1.00 0.14 H new ATOM 0 HD12 ILE A 20 -2.883 -7.752 -0.184 1.00 0.14 H new ATOM 0 HD13 ILE A 20 -2.951 -6.004 0.141 1.00 0.14 H new ATOM 357 N GLU A 21 -6.687 -6.386 3.872 1.00 73.32 N ATOM 358 CA GLU A 21 -8.089 -6.591 4.296 1.00 73.44 C ATOM 359 C GLU A 21 -8.958 -5.377 3.884 1.00 53.10 C ATOM 360 O GLU A 21 -10.045 -5.554 3.318 1.00 50.51 O ATOM 361 CB GLU A 21 -8.188 -6.799 5.831 1.00 42.11 C ATOM 362 CG GLU A 21 -7.325 -7.928 6.429 1.00 3.24 C ATOM 363 CD GLU A 21 -7.676 -9.345 5.936 1.00 33.43 C ATOM 364 OE1 GLU A 21 -8.589 -9.981 6.512 1.00 34.01 O ATOM 365 OE2 GLU A 21 -7.027 -9.846 4.997 1.00 20.21 O ATOM 0 H GLU A 21 -6.025 -6.347 4.647 1.00 73.32 H new ATOM 0 HA GLU A 21 -8.457 -7.489 3.799 1.00 73.44 H new ATOM 0 HB2 GLU A 21 -7.914 -5.864 6.320 1.00 42.11 H new ATOM 0 HB3 GLU A 21 -9.230 -6.997 6.082 1.00 42.11 H new ATOM 0 HG2 GLU A 21 -6.279 -7.727 6.197 1.00 3.24 H new ATOM 0 HG3 GLU A 21 -7.421 -7.903 7.514 1.00 3.24 H new ATOM 372 N ARG A 22 -8.441 -4.144 4.153 1.00 0.33 N ATOM 373 CA ARG A 22 -9.156 -2.883 3.850 1.00 24.43 C ATOM 374 C ARG A 22 -9.419 -2.735 2.329 1.00 64.21 C ATOM 375 O ARG A 22 -10.539 -2.446 1.935 1.00 5.14 O ATOM 376 CB ARG A 22 -8.383 -1.622 4.342 1.00 35.52 C ATOM 377 CG ARG A 22 -8.015 -1.542 5.846 1.00 54.13 C ATOM 378 CD ARG A 22 -9.207 -1.618 6.823 1.00 3.11 C ATOM 379 NE ARG A 22 -9.728 -2.988 7.039 1.00 73.32 N ATOM 380 CZ ARG A 22 -9.197 -3.915 7.878 1.00 73.33 C ATOM 381 NH1 ARG A 22 -8.096 -3.663 8.588 1.00 15.03 N ATOM 382 NH2 ARG A 22 -9.809 -5.083 8.045 1.00 54.42 N ATOM 0 H ARG A 22 -7.526 -4.004 4.582 1.00 0.33 H new ATOM 0 HA ARG A 22 -10.102 -2.945 4.388 1.00 24.43 H new ATOM 0 HB2 ARG A 22 -7.460 -1.549 3.767 1.00 35.52 H new ATOM 0 HB3 ARG A 22 -8.982 -0.745 4.096 1.00 35.52 H new ATOM 0 HG2 ARG A 22 -7.325 -2.353 6.078 1.00 54.13 H new ATOM 0 HG3 ARG A 22 -7.481 -0.609 6.023 1.00 54.13 H new ATOM 0 HD2 ARG A 22 -8.903 -1.201 7.783 1.00 3.11 H new ATOM 0 HD3 ARG A 22 -10.013 -0.990 6.444 1.00 3.11 H new ATOM 0 HE ARG A 22 -10.558 -3.259 6.512 1.00 73.32 H new ATOM 0 HH11 ARG A 22 -7.633 -2.757 8.508 1.00 15.03 H new ATOM 0 HH12 ARG A 22 -7.717 -4.376 9.211 1.00 15.03 H new ATOM 0 HH21 ARG A 22 -10.675 -5.281 7.544 1.00 54.42 H new ATOM 0 HH22 ARG A 22 -9.413 -5.781 8.674 1.00 54.42 H new ATOM 396 N LEU A 23 -8.375 -2.986 1.499 1.00 23.32 N ATOM 397 CA LEU A 23 -8.402 -2.775 0.021 1.00 74.13 C ATOM 398 C LEU A 23 -9.512 -3.612 -0.655 1.00 41.35 C ATOM 399 O LEU A 23 -10.086 -3.196 -1.672 1.00 45.23 O ATOM 400 CB LEU A 23 -7.015 -3.132 -0.616 1.00 41.41 C ATOM 401 CG LEU A 23 -5.785 -2.289 -0.143 1.00 24.34 C ATOM 402 CD1 LEU A 23 -4.461 -2.857 -0.697 1.00 3.01 C ATOM 403 CD2 LEU A 23 -5.940 -0.793 -0.488 1.00 30.23 C ATOM 0 H LEU A 23 -7.481 -3.344 1.835 1.00 23.32 H new ATOM 0 HA LEU A 23 -8.616 -1.720 -0.148 1.00 74.13 H new ATOM 0 HB2 LEU A 23 -6.807 -4.182 -0.411 1.00 41.41 H new ATOM 0 HB3 LEU A 23 -7.101 -3.030 -1.698 1.00 41.41 H new ATOM 0 HG LEU A 23 -5.749 -2.366 0.944 1.00 24.34 H new ATOM 0 HD11 LEU A 23 -3.629 -2.246 -0.348 1.00 3.01 H new ATOM 0 HD12 LEU A 23 -4.330 -3.881 -0.348 1.00 3.01 H new ATOM 0 HD13 LEU A 23 -4.488 -2.845 -1.787 1.00 3.01 H new ATOM 0 HD21 LEU A 23 -5.063 -0.247 -0.141 1.00 30.23 H new ATOM 0 HD22 LEU A 23 -6.036 -0.677 -1.567 1.00 30.23 H new ATOM 0 HD23 LEU A 23 -6.831 -0.397 0.000 1.00 30.23 H new ATOM 415 N GLU A 24 -9.790 -4.793 -0.072 1.00 32.24 N ATOM 416 CA GLU A 24 -10.887 -5.679 -0.504 1.00 15.54 C ATOM 417 C GLU A 24 -12.257 -5.083 -0.092 1.00 14.14 C ATOM 418 O GLU A 24 -13.215 -5.083 -0.879 1.00 33.34 O ATOM 419 CB GLU A 24 -10.701 -7.089 0.117 1.00 3.41 C ATOM 420 CG GLU A 24 -9.386 -7.793 -0.275 1.00 4.21 C ATOM 421 CD GLU A 24 -9.246 -9.187 0.359 1.00 55.22 C ATOM 422 OE1 GLU A 24 -9.912 -10.133 -0.119 1.00 72.53 O ATOM 423 OE2 GLU A 24 -8.483 -9.347 1.337 1.00 23.32 O ATOM 0 H GLU A 24 -9.257 -5.161 0.716 1.00 32.24 H new ATOM 0 HA GLU A 24 -10.864 -5.766 -1.590 1.00 15.54 H new ATOM 0 HB2 GLU A 24 -10.742 -7.002 1.203 1.00 3.41 H new ATOM 0 HB3 GLU A 24 -11.539 -7.718 -0.184 1.00 3.41 H new ATOM 0 HG2 GLU A 24 -9.338 -7.886 -1.360 1.00 4.21 H new ATOM 0 HG3 GLU A 24 -8.542 -7.174 0.030 1.00 4.21 H new ATOM 430 N GLU A 25 -12.312 -4.560 1.146 1.00 62.01 N ATOM 431 CA GLU A 25 -13.535 -3.986 1.747 1.00 71.42 C ATOM 432 C GLU A 25 -13.903 -2.627 1.127 1.00 3.24 C ATOM 433 O GLU A 25 -15.088 -2.262 1.092 1.00 71.23 O ATOM 434 CB GLU A 25 -13.336 -3.829 3.276 1.00 3.01 C ATOM 435 CG GLU A 25 -13.186 -5.154 4.038 1.00 43.31 C ATOM 436 CD GLU A 25 -12.875 -4.948 5.529 1.00 74.33 C ATOM 437 OE1 GLU A 25 -13.802 -4.674 6.315 1.00 64.01 O ATOM 438 OE2 GLU A 25 -11.704 -5.032 5.922 1.00 61.23 O ATOM 0 H GLU A 25 -11.502 -4.522 1.765 1.00 62.01 H new ATOM 0 HA GLU A 25 -14.358 -4.671 1.544 1.00 71.42 H new ATOM 0 HB2 GLU A 25 -12.450 -3.220 3.454 1.00 3.01 H new ATOM 0 HB3 GLU A 25 -14.185 -3.283 3.686 1.00 3.01 H new ATOM 0 HG2 GLU A 25 -14.105 -5.732 3.939 1.00 43.31 H new ATOM 0 HG3 GLU A 25 -12.389 -5.742 3.583 1.00 43.31 H new ATOM 445 N GLU A 26 -12.897 -1.897 0.612 1.00 13.20 N ATOM 446 CA GLU A 26 -13.111 -0.555 0.047 1.00 61.25 C ATOM 447 C GLU A 26 -13.792 -0.659 -1.319 1.00 54.04 C ATOM 448 O GLU A 26 -13.680 -1.675 -2.012 1.00 54.30 O ATOM 449 CB GLU A 26 -11.788 0.266 -0.072 1.00 3.34 C ATOM 450 CG GLU A 26 -11.062 0.551 1.268 1.00 22.24 C ATOM 451 CD GLU A 26 -12.001 1.003 2.408 1.00 10.22 C ATOM 452 OE1 GLU A 26 -12.465 2.172 2.388 1.00 65.02 O ATOM 453 OE2 GLU A 26 -12.287 0.200 3.326 1.00 53.31 O ATOM 0 H GLU A 26 -11.929 -2.215 0.576 1.00 13.20 H new ATOM 0 HA GLU A 26 -13.759 -0.018 0.740 1.00 61.25 H new ATOM 0 HB2 GLU A 26 -11.104 -0.271 -0.729 1.00 3.34 H new ATOM 0 HB3 GLU A 26 -12.012 1.217 -0.554 1.00 3.34 H new ATOM 0 HG2 GLU A 26 -10.534 -0.349 1.582 1.00 22.24 H new ATOM 0 HG3 GLU A 26 -10.309 1.322 1.104 1.00 22.24 H new ATOM 460 N ARG A 27 -14.522 0.403 -1.668 1.00 33.11 N ATOM 461 CA ARG A 27 -15.216 0.537 -2.949 1.00 41.43 C ATOM 462 C ARG A 27 -14.392 1.473 -3.862 1.00 54.22 C ATOM 463 O ARG A 27 -13.991 2.553 -3.418 1.00 73.34 O ATOM 464 CB ARG A 27 -16.648 1.087 -2.706 1.00 52.30 C ATOM 465 CG ARG A 27 -17.537 0.186 -1.815 1.00 51.42 C ATOM 466 CD ARG A 27 -17.662 -1.249 -2.363 1.00 70.32 C ATOM 467 NE ARG A 27 -18.628 -2.077 -1.617 1.00 52.13 N ATOM 468 CZ ARG A 27 -19.138 -3.245 -2.064 1.00 12.35 C ATOM 469 NH1 ARG A 27 -18.786 -3.738 -3.258 1.00 12.04 N ATOM 470 NH2 ARG A 27 -20.011 -3.916 -1.322 1.00 15.22 N ATOM 0 H ARG A 27 -14.649 1.209 -1.056 1.00 33.11 H new ATOM 0 HA ARG A 27 -15.311 -0.431 -3.441 1.00 41.43 H new ATOM 0 HB2 ARG A 27 -16.572 2.072 -2.245 1.00 52.30 H new ATOM 0 HB3 ARG A 27 -17.140 1.223 -3.669 1.00 52.30 H new ATOM 0 HG2 ARG A 27 -17.120 0.152 -0.808 1.00 51.42 H new ATOM 0 HG3 ARG A 27 -18.530 0.628 -1.734 1.00 51.42 H new ATOM 0 HD2 ARG A 27 -17.963 -1.206 -3.410 1.00 70.32 H new ATOM 0 HD3 ARG A 27 -16.684 -1.728 -2.333 1.00 70.32 H new ATOM 0 HE ARG A 27 -18.931 -1.745 -0.702 1.00 52.13 H new ATOM 0 HH11 ARG A 27 -18.124 -3.230 -3.844 1.00 12.04 H new ATOM 0 HH12 ARG A 27 -19.180 -4.621 -3.581 1.00 12.04 H new ATOM 0 HH21 ARG A 27 -20.297 -3.549 -0.414 1.00 15.22 H new ATOM 0 HH22 ARG A 27 -20.396 -4.798 -1.660 1.00 15.22 H new ATOM 484 N PRO A 28 -14.103 1.081 -5.148 1.00 11.21 N ATOM 485 CA PRO A 28 -14.588 -0.153 -5.805 1.00 60.24 C ATOM 486 C PRO A 28 -13.543 -1.302 -5.788 1.00 20.51 C ATOM 487 O PRO A 28 -13.479 -2.098 -6.729 1.00 41.01 O ATOM 488 CB PRO A 28 -14.839 0.386 -7.229 1.00 0.52 C ATOM 489 CG PRO A 28 -13.716 1.371 -7.472 1.00 50.21 C ATOM 490 CD PRO A 28 -13.241 1.840 -6.096 1.00 10.24 C ATOM 0 HA PRO A 28 -15.452 -0.610 -5.323 1.00 60.24 H new ATOM 0 HB2 PRO A 28 -14.826 -0.418 -7.965 1.00 0.52 H new ATOM 0 HB3 PRO A 28 -15.813 0.870 -7.303 1.00 0.52 H new ATOM 0 HG2 PRO A 28 -12.902 0.902 -8.024 1.00 50.21 H new ATOM 0 HG3 PRO A 28 -14.062 2.214 -8.070 1.00 50.21 H new ATOM 0 HD2 PRO A 28 -12.185 1.620 -5.941 1.00 10.24 H new ATOM 0 HD3 PRO A 28 -13.364 2.916 -5.975 1.00 10.24 H new ATOM 498 N SER A 29 -12.772 -1.373 -4.678 1.00 53.25 N ATOM 499 CA SER A 29 -11.624 -2.293 -4.470 1.00 35.34 C ATOM 500 C SER A 29 -10.398 -1.804 -5.266 1.00 22.11 C ATOM 501 O SER A 29 -10.469 -1.592 -6.483 1.00 62.03 O ATOM 502 CB SER A 29 -11.949 -3.785 -4.765 1.00 3.20 C ATOM 503 OG SER A 29 -10.869 -4.646 -4.404 1.00 23.21 O ATOM 0 H SER A 29 -12.936 -0.770 -3.872 1.00 53.25 H new ATOM 0 HA SER A 29 -11.390 -2.264 -3.406 1.00 35.34 H new ATOM 0 HB2 SER A 29 -12.845 -4.077 -4.217 1.00 3.20 H new ATOM 0 HB3 SER A 29 -12.171 -3.906 -5.825 1.00 3.20 H new ATOM 0 HG SER A 29 -10.492 -4.357 -3.547 1.00 23.21 H new ATOM 509 N VAL A 30 -9.280 -1.606 -4.546 1.00 53.24 N ATOM 510 CA VAL A 30 -8.050 -1.012 -5.094 1.00 1.22 C ATOM 511 C VAL A 30 -7.154 -2.109 -5.698 1.00 33.10 C ATOM 512 O VAL A 30 -7.220 -3.269 -5.283 1.00 1.53 O ATOM 513 CB VAL A 30 -7.256 -0.219 -3.987 1.00 14.21 C ATOM 514 CG1 VAL A 30 -6.080 0.587 -4.598 1.00 24.41 C ATOM 515 CG2 VAL A 30 -8.194 0.692 -3.152 1.00 2.20 C ATOM 0 H VAL A 30 -9.205 -1.856 -3.560 1.00 53.24 H new ATOM 0 HA VAL A 30 -8.336 -0.309 -5.876 1.00 1.22 H new ATOM 0 HB VAL A 30 -6.829 -0.955 -3.306 1.00 14.21 H new ATOM 0 HG11 VAL A 30 -5.555 1.121 -3.806 1.00 24.41 H new ATOM 0 HG12 VAL A 30 -5.390 -0.096 -5.094 1.00 24.41 H new ATOM 0 HG13 VAL A 30 -6.467 1.303 -5.323 1.00 24.41 H new ATOM 0 HG21 VAL A 30 -7.611 1.222 -2.399 1.00 2.20 H new ATOM 0 HG22 VAL A 30 -8.680 1.413 -3.809 1.00 2.20 H new ATOM 0 HG23 VAL A 30 -8.951 0.081 -2.660 1.00 2.20 H new ATOM 525 N GLN A 31 -6.341 -1.723 -6.696 1.00 32.22 N ATOM 526 CA GLN A 31 -5.351 -2.604 -7.327 1.00 3.31 C ATOM 527 C GLN A 31 -4.094 -2.682 -6.435 1.00 42.10 C ATOM 528 O GLN A 31 -3.607 -1.654 -5.943 1.00 63.32 O ATOM 529 CB GLN A 31 -4.994 -2.047 -8.731 1.00 21.50 C ATOM 530 CG GLN A 31 -6.225 -1.805 -9.637 1.00 0.04 C ATOM 531 CD GLN A 31 -5.901 -1.088 -10.949 1.00 31.01 C ATOM 532 OE1 GLN A 31 -4.969 -0.288 -11.028 1.00 71.44 O ATOM 533 NE2 GLN A 31 -6.681 -1.349 -11.981 1.00 24.10 N ATOM 0 H GLN A 31 -6.355 -0.782 -7.089 1.00 32.22 H new ATOM 0 HA GLN A 31 -5.760 -3.608 -7.441 1.00 3.31 H new ATOM 0 HB2 GLN A 31 -4.451 -1.109 -8.613 1.00 21.50 H new ATOM 0 HB3 GLN A 31 -4.320 -2.745 -9.228 1.00 21.50 H new ATOM 0 HG2 GLN A 31 -6.690 -2.764 -9.864 1.00 0.04 H new ATOM 0 HG3 GLN A 31 -6.959 -1.218 -9.086 1.00 0.04 H new ATOM 0 HE21 GLN A 31 -7.446 -2.017 -11.886 1.00 24.10 H new ATOM 0 HE22 GLN A 31 -6.519 -0.883 -12.874 1.00 24.10 H new ATOM 542 N TYR A 32 -3.589 -3.902 -6.224 1.00 20.34 N ATOM 543 CA TYR A 32 -2.410 -4.157 -5.375 1.00 73.41 C ATOM 544 C TYR A 32 -1.640 -5.388 -5.875 1.00 1.50 C ATOM 545 O TYR A 32 -2.193 -6.232 -6.591 1.00 63.22 O ATOM 546 CB TYR A 32 -2.823 -4.321 -3.879 1.00 73.10 C ATOM 547 CG TYR A 32 -3.910 -5.386 -3.599 1.00 14.22 C ATOM 548 CD1 TYR A 32 -5.267 -5.056 -3.675 1.00 10.42 C ATOM 549 CD2 TYR A 32 -3.588 -6.707 -3.261 1.00 64.23 C ATOM 550 CE1 TYR A 32 -6.255 -5.989 -3.430 1.00 24.25 C ATOM 551 CE2 TYR A 32 -4.580 -7.647 -3.013 1.00 42.43 C ATOM 552 CZ TYR A 32 -5.909 -7.281 -3.101 1.00 42.03 C ATOM 553 OH TYR A 32 -6.897 -8.216 -2.864 1.00 24.14 O ATOM 0 H TYR A 32 -3.985 -4.747 -6.637 1.00 20.34 H new ATOM 0 HA TYR A 32 -1.748 -3.294 -5.443 1.00 73.41 H new ATOM 0 HB2 TYR A 32 -1.934 -4.574 -3.301 1.00 73.10 H new ATOM 0 HB3 TYR A 32 -3.179 -3.359 -3.511 1.00 73.10 H new ATOM 0 HD1 TYR A 32 -5.549 -4.046 -3.932 1.00 10.42 H new ATOM 0 HD2 TYR A 32 -2.551 -6.999 -3.192 1.00 64.23 H new ATOM 0 HE1 TYR A 32 -7.295 -5.707 -3.496 1.00 24.25 H new ATOM 0 HE2 TYR A 32 -4.313 -8.661 -2.752 1.00 42.43 H new ATOM 0 HH TYR A 32 -6.486 -9.078 -2.645 1.00 24.14 H new ATOM 563 N THR A 33 -0.363 -5.470 -5.476 1.00 54.42 N ATOM 564 CA THR A 33 0.558 -6.542 -5.861 1.00 44.34 C ATOM 565 C THR A 33 1.502 -6.830 -4.676 1.00 62.25 C ATOM 566 O THR A 33 2.316 -5.979 -4.317 1.00 24.55 O ATOM 567 CB THR A 33 1.387 -6.122 -7.137 1.00 24.14 C ATOM 568 OG1 THR A 33 0.494 -5.824 -8.230 1.00 32.15 O ATOM 569 CG2 THR A 33 2.390 -7.205 -7.581 1.00 0.41 C ATOM 0 H THR A 33 0.065 -4.776 -4.863 1.00 54.42 H new ATOM 0 HA THR A 33 -0.006 -7.441 -6.108 1.00 44.34 H new ATOM 0 HB THR A 33 1.960 -5.237 -6.861 1.00 24.14 H new ATOM 0 HG1 THR A 33 0.837 -6.230 -9.053 1.00 32.15 H new ATOM 0 HG21 THR A 33 2.931 -6.861 -8.462 1.00 0.41 H new ATOM 0 HG22 THR A 33 3.097 -7.399 -6.774 1.00 0.41 H new ATOM 0 HG23 THR A 33 1.852 -8.122 -7.821 1.00 0.41 H new ATOM 577 N GLU A 34 1.368 -8.017 -4.052 1.00 54.11 N ATOM 578 CA GLU A 34 2.264 -8.455 -2.959 1.00 63.11 C ATOM 579 C GLU A 34 3.465 -9.161 -3.607 1.00 62.24 C ATOM 580 O GLU A 34 3.287 -10.062 -4.433 1.00 33.43 O ATOM 581 CB GLU A 34 1.509 -9.390 -1.955 1.00 71.22 C ATOM 582 CG GLU A 34 2.186 -9.608 -0.563 1.00 24.11 C ATOM 583 CD GLU A 34 3.498 -10.441 -0.573 1.00 3.31 C ATOM 584 OE1 GLU A 34 3.432 -11.664 -0.847 1.00 13.41 O ATOM 585 OE2 GLU A 34 4.591 -9.881 -0.313 1.00 70.31 O ATOM 0 H GLU A 34 0.643 -8.695 -4.287 1.00 54.11 H new ATOM 0 HA GLU A 34 2.608 -7.601 -2.376 1.00 63.11 H new ATOM 0 HB2 GLU A 34 0.513 -8.980 -1.790 1.00 71.22 H new ATOM 0 HB3 GLU A 34 1.378 -10.364 -2.427 1.00 71.22 H new ATOM 0 HG2 GLU A 34 2.401 -8.632 -0.127 1.00 24.11 H new ATOM 0 HG3 GLU A 34 1.470 -10.100 0.095 1.00 24.11 H new ATOM 592 N THR A 35 4.672 -8.731 -3.243 1.00 61.32 N ATOM 593 CA THR A 35 5.922 -9.237 -3.807 1.00 34.41 C ATOM 594 C THR A 35 6.925 -9.457 -2.667 1.00 15.45 C ATOM 595 O THR A 35 7.318 -8.508 -1.993 1.00 35.31 O ATOM 596 CB THR A 35 6.496 -8.232 -4.868 1.00 21.52 C ATOM 597 OG1 THR A 35 5.535 -8.031 -5.918 1.00 50.11 O ATOM 598 CG2 THR A 35 7.823 -8.717 -5.486 1.00 42.01 C ATOM 0 H THR A 35 4.811 -8.009 -2.536 1.00 61.32 H new ATOM 0 HA THR A 35 5.738 -10.183 -4.316 1.00 34.41 H new ATOM 0 HB THR A 35 6.695 -7.297 -4.345 1.00 21.52 H new ATOM 0 HG1 THR A 35 5.897 -7.402 -6.577 1.00 50.11 H new ATOM 0 HG21 THR A 35 8.175 -7.985 -6.213 1.00 42.01 H new ATOM 0 HG22 THR A 35 8.569 -8.836 -4.700 1.00 42.01 H new ATOM 0 HG23 THR A 35 7.665 -9.674 -5.983 1.00 42.01 H new ATOM 606 N THR A 36 7.281 -10.716 -2.415 1.00 15.40 N ATOM 607 CA THR A 36 8.303 -11.058 -1.427 1.00 10.34 C ATOM 608 C THR A 36 9.670 -11.067 -2.134 1.00 71.11 C ATOM 609 O THR A 36 10.000 -12.014 -2.858 1.00 4.34 O ATOM 610 CB THR A 36 7.976 -12.434 -0.771 1.00 43.22 C ATOM 611 OG1 THR A 36 6.586 -12.460 -0.382 1.00 35.41 O ATOM 612 CG2 THR A 36 8.857 -12.714 0.470 1.00 52.44 C ATOM 0 H THR A 36 6.872 -11.523 -2.887 1.00 15.40 H new ATOM 0 HA THR A 36 8.326 -10.322 -0.624 1.00 10.34 H new ATOM 0 HB THR A 36 8.184 -13.209 -1.509 1.00 43.22 H new ATOM 0 HG1 THR A 36 6.167 -13.278 -0.721 1.00 35.41 H new ATOM 0 HG21 THR A 36 8.593 -13.683 0.893 1.00 52.44 H new ATOM 0 HG22 THR A 36 9.907 -12.720 0.177 1.00 52.44 H new ATOM 0 HG23 THR A 36 8.693 -11.936 1.216 1.00 52.44 H new ATOM 620 N ARG A 37 10.417 -9.973 -1.971 1.00 75.55 N ATOM 621 CA ARG A 37 11.703 -9.742 -2.650 1.00 73.33 C ATOM 622 C ARG A 37 12.813 -9.503 -1.614 1.00 11.15 C ATOM 623 O ARG A 37 12.609 -8.748 -0.655 1.00 30.35 O ATOM 624 CB ARG A 37 11.567 -8.510 -3.582 1.00 41.52 C ATOM 625 CG ARG A 37 12.787 -8.230 -4.481 1.00 75.32 C ATOM 626 CD ARG A 37 12.589 -6.991 -5.372 1.00 73.03 C ATOM 627 NE ARG A 37 13.714 -6.796 -6.302 1.00 21.33 N ATOM 628 CZ ARG A 37 14.156 -5.610 -6.745 1.00 5.03 C ATOM 629 NH1 ARG A 37 13.586 -4.466 -6.351 1.00 40.04 N ATOM 630 NH2 ARG A 37 15.163 -5.568 -7.609 1.00 2.31 N ATOM 0 H ARG A 37 10.145 -9.208 -1.354 1.00 75.55 H new ATOM 0 HA ARG A 37 11.967 -10.619 -3.241 1.00 73.33 H new ATOM 0 HB2 ARG A 37 10.692 -8.650 -4.217 1.00 41.52 H new ATOM 0 HB3 ARG A 37 11.378 -7.629 -2.968 1.00 41.52 H new ATOM 0 HG2 ARG A 37 13.669 -8.088 -3.857 1.00 75.32 H new ATOM 0 HG3 ARG A 37 12.978 -9.099 -5.110 1.00 75.32 H new ATOM 0 HD2 ARG A 37 11.664 -7.096 -5.939 1.00 73.03 H new ATOM 0 HD3 ARG A 37 12.480 -6.107 -4.744 1.00 73.03 H new ATOM 0 HE ARG A 37 14.196 -7.630 -6.636 1.00 21.33 H new ATOM 0 HH11 ARG A 37 12.800 -4.485 -5.702 1.00 40.04 H new ATOM 0 HH12 ARG A 37 13.938 -3.574 -6.700 1.00 40.04 H new ATOM 0 HH21 ARG A 37 15.595 -6.434 -7.931 1.00 2.31 H new ATOM 0 HH22 ARG A 37 15.505 -4.670 -7.951 1.00 2.31 H new ATOM 644 N ASN A 38 13.982 -10.155 -1.827 1.00 43.31 N ATOM 645 CA ASN A 38 15.194 -10.023 -0.973 1.00 43.01 C ATOM 646 C ASN A 38 14.933 -10.554 0.460 1.00 11.24 C ATOM 647 O ASN A 38 15.582 -10.126 1.433 1.00 43.45 O ATOM 648 CB ASN A 38 15.710 -8.541 -0.951 1.00 50.00 C ATOM 649 CG ASN A 38 15.903 -7.901 -2.343 1.00 71.40 C ATOM 650 OD1 ASN A 38 15.723 -6.694 -2.515 1.00 33.34 O ATOM 651 ND2 ASN A 38 16.265 -8.691 -3.342 1.00 14.33 N ATOM 0 H ASN A 38 14.114 -10.798 -2.608 1.00 43.31 H new ATOM 0 HA ASN A 38 15.979 -10.639 -1.411 1.00 43.01 H new ATOM 0 HB2 ASN A 38 15.005 -7.934 -0.382 1.00 50.00 H new ATOM 0 HB3 ASN A 38 16.660 -8.510 -0.418 1.00 50.00 H new ATOM 0 HD21 ASN A 38 16.400 -8.303 -4.276 1.00 14.33 H new ATOM 0 HD22 ASN A 38 16.409 -9.687 -3.178 1.00 14.33 H new ATOM 658 N GLY A 39 13.988 -11.515 0.561 1.00 5.54 N ATOM 659 CA GLY A 39 13.584 -12.101 1.843 1.00 15.35 C ATOM 660 C GLY A 39 12.592 -11.244 2.618 1.00 43.34 C ATOM 661 O GLY A 39 12.153 -11.637 3.700 1.00 13.34 O ATOM 0 H GLY A 39 13.491 -11.899 -0.243 1.00 5.54 H new ATOM 0 HA2 GLY A 39 13.142 -13.081 1.662 1.00 15.35 H new ATOM 0 HA3 GLY A 39 14.471 -12.260 2.456 1.00 15.35 H new ATOM 665 N ARG A 40 12.238 -10.068 2.062 1.00 42.11 N ATOM 666 CA ARG A 40 11.328 -9.094 2.697 1.00 11.13 C ATOM 667 C ARG A 40 10.060 -8.895 1.848 1.00 12.22 C ATOM 668 O ARG A 40 10.112 -8.972 0.625 1.00 22.33 O ATOM 669 CB ARG A 40 12.049 -7.727 2.903 1.00 1.13 C ATOM 670 CG ARG A 40 13.190 -7.765 3.941 1.00 72.54 C ATOM 671 CD ARG A 40 13.842 -6.392 4.183 1.00 12.11 C ATOM 672 NE ARG A 40 14.824 -6.439 5.282 1.00 13.24 N ATOM 673 CZ ARG A 40 15.246 -5.370 5.984 1.00 43.42 C ATOM 674 NH1 ARG A 40 14.774 -4.151 5.707 1.00 50.25 N ATOM 675 NH2 ARG A 40 16.135 -5.526 6.967 1.00 21.51 N ATOM 0 H ARG A 40 12.580 -9.765 1.150 1.00 42.11 H new ATOM 0 HA ARG A 40 11.036 -9.490 3.670 1.00 11.13 H new ATOM 0 HB2 ARG A 40 12.453 -7.394 1.947 1.00 1.13 H new ATOM 0 HB3 ARG A 40 11.314 -6.984 3.214 1.00 1.13 H new ATOM 0 HG2 ARG A 40 12.800 -8.145 4.885 1.00 72.54 H new ATOM 0 HG3 ARG A 40 13.953 -8.467 3.606 1.00 72.54 H new ATOM 0 HD2 ARG A 40 14.334 -6.057 3.270 1.00 12.11 H new ATOM 0 HD3 ARG A 40 13.070 -5.659 4.416 1.00 12.11 H new ATOM 0 HE ARG A 40 15.213 -7.349 5.529 1.00 13.24 H new ATOM 0 HH11 ARG A 40 14.090 -4.026 4.960 1.00 50.25 H new ATOM 0 HH12 ARG A 40 15.097 -3.345 6.242 1.00 50.25 H new ATOM 0 HH21 ARG A 40 16.495 -6.455 7.187 1.00 21.51 H new ATOM 0 HH22 ARG A 40 16.455 -4.716 7.499 1.00 21.51 H new ATOM 689 N ARG A 41 8.929 -8.639 2.522 1.00 74.25 N ATOM 690 CA ARG A 41 7.648 -8.343 1.861 1.00 31.44 C ATOM 691 C ARG A 41 7.655 -6.889 1.323 1.00 20.13 C ATOM 692 O ARG A 41 8.249 -5.994 1.947 1.00 34.00 O ATOM 693 CB ARG A 41 6.474 -8.524 2.875 1.00 4.41 C ATOM 694 CG ARG A 41 6.435 -9.870 3.627 1.00 51.41 C ATOM 695 CD ARG A 41 6.180 -11.076 2.714 1.00 64.24 C ATOM 696 NE ARG A 41 6.261 -12.337 3.466 1.00 4.13 N ATOM 697 CZ ARG A 41 5.902 -13.546 3.006 1.00 4.31 C ATOM 698 NH1 ARG A 41 5.418 -13.695 1.772 1.00 75.13 N ATOM 699 NH2 ARG A 41 6.046 -14.614 3.784 1.00 31.34 N ATOM 0 H ARG A 41 8.876 -8.631 3.541 1.00 74.25 H new ATOM 0 HA ARG A 41 7.511 -9.032 1.027 1.00 31.44 H new ATOM 0 HB2 ARG A 41 6.527 -7.721 3.610 1.00 4.41 H new ATOM 0 HB3 ARG A 41 5.533 -8.403 2.338 1.00 4.41 H new ATOM 0 HG2 ARG A 41 7.382 -10.013 4.148 1.00 51.41 H new ATOM 0 HG3 ARG A 41 5.655 -9.829 4.388 1.00 51.41 H new ATOM 0 HD2 ARG A 41 5.196 -10.986 2.254 1.00 64.24 H new ATOM 0 HD3 ARG A 41 6.910 -11.084 1.905 1.00 64.24 H new ATOM 0 HE ARG A 41 6.621 -12.289 4.419 1.00 4.13 H new ATOM 0 HH11 ARG A 41 5.316 -12.883 1.163 1.00 75.13 H new ATOM 0 HH12 ARG A 41 5.150 -14.621 1.438 1.00 75.13 H new ATOM 0 HH21 ARG A 41 6.427 -14.512 4.725 1.00 31.34 H new ATOM 0 HH22 ARG A 41 5.775 -15.535 3.441 1.00 31.34 H new ATOM 713 N GLN A 42 7.009 -6.661 0.163 1.00 62.51 N ATOM 714 CA GLN A 42 6.724 -5.303 -0.346 1.00 51.43 C ATOM 715 C GLN A 42 5.318 -5.277 -0.994 1.00 60.35 C ATOM 716 O GLN A 42 4.987 -6.130 -1.825 1.00 11.55 O ATOM 717 CB GLN A 42 7.827 -4.779 -1.316 1.00 45.35 C ATOM 718 CG GLN A 42 8.010 -5.571 -2.616 1.00 41.33 C ATOM 719 CD GLN A 42 9.008 -4.937 -3.579 1.00 72.52 C ATOM 720 OE1 GLN A 42 10.204 -5.230 -3.549 1.00 73.32 O ATOM 721 NE2 GLN A 42 8.520 -4.041 -4.426 1.00 31.14 N ATOM 0 H GLN A 42 6.671 -7.407 -0.445 1.00 62.51 H new ATOM 0 HA GLN A 42 6.734 -4.615 0.500 1.00 51.43 H new ATOM 0 HB2 GLN A 42 7.596 -3.745 -1.573 1.00 45.35 H new ATOM 0 HB3 GLN A 42 8.778 -4.770 -0.783 1.00 45.35 H new ATOM 0 HG2 GLN A 42 8.342 -6.580 -2.373 1.00 41.33 H new ATOM 0 HG3 GLN A 42 7.045 -5.664 -3.114 1.00 41.33 H new ATOM 0 HE21 GLN A 42 7.523 -3.825 -4.421 1.00 31.14 H new ATOM 0 HE22 GLN A 42 9.141 -3.568 -5.082 1.00 31.14 H new ATOM 730 N LEU A 43 4.483 -4.319 -0.556 1.00 71.23 N ATOM 731 CA LEU A 43 3.088 -4.180 -1.012 1.00 12.42 C ATOM 732 C LEU A 43 3.030 -3.000 -1.993 1.00 62.10 C ATOM 733 O LEU A 43 3.168 -1.841 -1.589 1.00 35.34 O ATOM 734 CB LEU A 43 2.142 -3.939 0.221 1.00 1.02 C ATOM 735 CG LEU A 43 0.722 -4.594 0.194 1.00 22.13 C ATOM 736 CD1 LEU A 43 -0.091 -4.187 1.447 1.00 61.32 C ATOM 737 CD2 LEU A 43 -0.047 -4.282 -1.109 1.00 35.31 C ATOM 0 H LEU A 43 4.758 -3.615 0.129 1.00 71.23 H new ATOM 0 HA LEU A 43 2.751 -5.089 -1.511 1.00 12.42 H new ATOM 0 HB2 LEU A 43 2.658 -4.296 1.113 1.00 1.02 H new ATOM 0 HB3 LEU A 43 2.012 -2.863 0.337 1.00 1.02 H new ATOM 0 HG LEU A 43 0.863 -5.675 0.215 1.00 22.13 H new ATOM 0 HD11 LEU A 43 -1.076 -4.653 1.409 1.00 61.32 H new ATOM 0 HD12 LEU A 43 0.433 -4.518 2.344 1.00 61.32 H new ATOM 0 HD13 LEU A 43 -0.203 -3.103 1.472 1.00 61.32 H new ATOM 0 HD21 LEU A 43 -1.026 -4.760 -1.077 1.00 35.31 H new ATOM 0 HD22 LEU A 43 -0.173 -3.204 -1.208 1.00 35.31 H new ATOM 0 HD23 LEU A 43 0.514 -4.662 -1.963 1.00 35.31 H new ATOM 749 N THR A 44 2.834 -3.304 -3.271 1.00 14.43 N ATOM 750 CA THR A 44 2.764 -2.300 -4.327 1.00 21.11 C ATOM 751 C THR A 44 1.284 -2.010 -4.653 1.00 72.15 C ATOM 752 O THR A 44 0.617 -2.805 -5.322 1.00 24.42 O ATOM 753 CB THR A 44 3.549 -2.809 -5.580 1.00 75.42 C ATOM 754 OG1 THR A 44 4.906 -3.126 -5.203 1.00 43.55 O ATOM 755 CG2 THR A 44 3.567 -1.776 -6.712 1.00 24.24 C ATOM 0 H THR A 44 2.718 -4.260 -3.606 1.00 14.43 H new ATOM 0 HA THR A 44 3.226 -1.368 -4.001 1.00 21.11 H new ATOM 0 HB THR A 44 3.037 -3.698 -5.949 1.00 75.42 H new ATOM 0 HG1 THR A 44 5.397 -3.447 -5.988 1.00 43.55 H new ATOM 0 HG21 THR A 44 4.124 -2.175 -7.560 1.00 24.24 H new ATOM 0 HG22 THR A 44 2.545 -1.556 -7.020 1.00 24.24 H new ATOM 0 HG23 THR A 44 4.045 -0.861 -6.362 1.00 24.24 H new ATOM 763 N ILE A 45 0.784 -0.866 -4.151 1.00 72.52 N ATOM 764 CA ILE A 45 -0.608 -0.415 -4.352 1.00 72.30 C ATOM 765 C ILE A 45 -0.638 0.637 -5.472 1.00 64.13 C ATOM 766 O ILE A 45 0.084 1.636 -5.407 1.00 73.34 O ATOM 767 CB ILE A 45 -1.212 0.205 -3.028 1.00 51.14 C ATOM 768 CG1 ILE A 45 -1.153 -0.827 -1.859 1.00 52.12 C ATOM 769 CG2 ILE A 45 -2.659 0.710 -3.257 1.00 20.41 C ATOM 770 CD1 ILE A 45 -1.685 -0.326 -0.523 1.00 42.41 C ATOM 0 H ILE A 45 1.339 -0.221 -3.589 1.00 72.52 H new ATOM 0 HA ILE A 45 -1.214 -1.279 -4.626 1.00 72.30 H new ATOM 0 HB ILE A 45 -0.604 1.065 -2.749 1.00 51.14 H new ATOM 0 HG12 ILE A 45 -1.719 -1.712 -2.148 1.00 52.12 H new ATOM 0 HG13 ILE A 45 -0.118 -1.141 -1.725 1.00 52.12 H new ATOM 0 HG21 ILE A 45 -3.048 1.131 -2.330 1.00 20.41 H new ATOM 0 HG22 ILE A 45 -2.658 1.477 -4.032 1.00 20.41 H new ATOM 0 HG23 ILE A 45 -3.289 -0.122 -3.571 1.00 20.41 H new ATOM 0 HD11 ILE A 45 -1.600 -1.117 0.222 1.00 42.41 H new ATOM 0 HD12 ILE A 45 -1.105 0.539 -0.202 1.00 42.41 H new ATOM 0 HD13 ILE A 45 -2.731 -0.041 -0.632 1.00 42.41 H new ATOM 782 N ARG A 46 -1.459 0.400 -6.500 1.00 13.42 N ATOM 783 CA ARG A 46 -1.630 1.323 -7.637 1.00 23.20 C ATOM 784 C ARG A 46 -3.121 1.668 -7.770 1.00 65.34 C ATOM 785 O ARG A 46 -3.983 0.848 -7.434 1.00 31.13 O ATOM 786 CB ARG A 46 -1.111 0.670 -8.951 1.00 44.44 C ATOM 787 CG ARG A 46 0.346 0.157 -8.878 1.00 24.02 C ATOM 788 CD ARG A 46 0.805 -0.520 -10.183 1.00 52.41 C ATOM 789 NE ARG A 46 -0.130 -1.569 -10.635 1.00 71.22 N ATOM 790 CZ ARG A 46 -0.050 -2.876 -10.338 1.00 31.43 C ATOM 791 NH1 ARG A 46 0.932 -3.356 -9.574 1.00 24.52 N ATOM 792 NH2 ARG A 46 -0.977 -3.705 -10.804 1.00 44.44 N ATOM 0 H ARG A 46 -2.030 -0.442 -6.571 1.00 13.42 H new ATOM 0 HA ARG A 46 -1.054 2.231 -7.460 1.00 23.20 H new ATOM 0 HB2 ARG A 46 -1.764 -0.163 -9.211 1.00 44.44 H new ATOM 0 HB3 ARG A 46 -1.187 1.398 -9.759 1.00 44.44 H new ATOM 0 HG2 ARG A 46 1.010 0.992 -8.654 1.00 24.02 H new ATOM 0 HG3 ARG A 46 0.436 -0.552 -8.055 1.00 24.02 H new ATOM 0 HD2 ARG A 46 0.905 0.234 -10.964 1.00 52.41 H new ATOM 0 HD3 ARG A 46 1.792 -0.957 -10.034 1.00 52.41 H new ATOM 0 HE ARG A 46 -0.907 -1.274 -11.226 1.00 71.22 H new ATOM 0 HH11 ARG A 46 1.643 -2.726 -9.202 1.00 24.52 H new ATOM 0 HH12 ARG A 46 0.972 -4.353 -9.362 1.00 24.52 H new ATOM 0 HH21 ARG A 46 -1.738 -3.347 -11.380 1.00 44.44 H new ATOM 0 HH22 ARG A 46 -0.928 -4.700 -10.586 1.00 44.44 H new ATOM 806 N SER A 47 -3.411 2.881 -8.239 1.00 30.12 N ATOM 807 CA SER A 47 -4.778 3.306 -8.578 1.00 23.23 C ATOM 808 C SER A 47 -4.736 4.255 -9.779 1.00 12.43 C ATOM 809 O SER A 47 -3.731 4.939 -10.017 1.00 1.54 O ATOM 810 CB SER A 47 -5.473 3.983 -7.369 1.00 44.14 C ATOM 811 OG SER A 47 -6.746 4.519 -7.719 1.00 2.13 O ATOM 0 H SER A 47 -2.707 3.602 -8.397 1.00 30.12 H new ATOM 0 HA SER A 47 -5.362 2.423 -8.838 1.00 23.23 H new ATOM 0 HB2 SER A 47 -5.594 3.256 -6.566 1.00 44.14 H new ATOM 0 HB3 SER A 47 -4.837 4.780 -6.984 1.00 44.14 H new ATOM 0 HG SER A 47 -7.450 4.021 -7.253 1.00 2.13 H new ATOM 817 N ASN A 48 -5.857 4.292 -10.504 1.00 53.31 N ATOM 818 CA ASN A 48 -6.037 5.101 -11.720 1.00 74.35 C ATOM 819 C ASN A 48 -6.580 6.501 -11.363 1.00 13.21 C ATOM 820 O ASN A 48 -6.794 7.332 -12.248 1.00 61.42 O ATOM 821 CB ASN A 48 -7.008 4.373 -12.681 1.00 15.44 C ATOM 822 CG ASN A 48 -6.608 2.917 -12.963 1.00 13.51 C ATOM 823 OD1 ASN A 48 -6.974 2.010 -12.215 1.00 21.20 O ATOM 824 ND2 ASN A 48 -5.865 2.674 -14.030 1.00 2.15 N ATOM 0 H ASN A 48 -6.685 3.749 -10.259 1.00 53.31 H new ATOM 0 HA ASN A 48 -5.073 5.228 -12.212 1.00 74.35 H new ATOM 0 HB2 ASN A 48 -8.011 4.391 -12.255 1.00 15.44 H new ATOM 0 HB3 ASN A 48 -7.053 4.919 -13.623 1.00 15.44 H new ATOM 0 HD21 ASN A 48 -5.583 1.718 -14.248 1.00 2.15 H new ATOM 0 HD22 ASN A 48 -5.574 3.442 -14.635 1.00 2.15 H new ATOM 831 N ASP A 49 -6.804 6.744 -10.052 1.00 22.33 N ATOM 832 CA ASP A 49 -7.371 8.013 -9.542 1.00 75.34 C ATOM 833 C ASP A 49 -6.509 8.595 -8.409 1.00 1.44 C ATOM 834 O ASP A 49 -6.087 7.865 -7.502 1.00 13.34 O ATOM 835 CB ASP A 49 -8.836 7.804 -9.052 1.00 60.33 C ATOM 836 CG ASP A 49 -9.435 9.054 -8.364 1.00 41.41 C ATOM 837 OD1 ASP A 49 -9.621 10.089 -9.039 1.00 44.31 O ATOM 838 OD2 ASP A 49 -9.688 9.018 -7.143 1.00 52.44 O ATOM 0 H ASP A 49 -6.597 6.066 -9.318 1.00 22.33 H new ATOM 0 HA ASP A 49 -7.375 8.727 -10.365 1.00 75.34 H new ATOM 0 HB2 ASP A 49 -9.461 7.531 -9.902 1.00 60.33 H new ATOM 0 HB3 ASP A 49 -8.863 6.966 -8.355 1.00 60.33 H new ATOM 843 N LYS A 50 -6.315 9.933 -8.461 1.00 71.12 N ATOM 844 CA LYS A 50 -5.504 10.699 -7.499 1.00 35.43 C ATOM 845 C LYS A 50 -6.103 10.653 -6.083 1.00 65.10 C ATOM 846 O LYS A 50 -5.386 10.365 -5.126 1.00 0.04 O ATOM 847 CB LYS A 50 -5.361 12.180 -7.977 1.00 61.50 C ATOM 848 CG LYS A 50 -4.655 13.142 -6.982 1.00 75.54 C ATOM 849 CD LYS A 50 -3.243 12.667 -6.561 1.00 22.42 C ATOM 850 CE LYS A 50 -2.603 13.587 -5.510 1.00 42.32 C ATOM 851 NZ LYS A 50 -1.329 13.027 -4.985 1.00 11.14 N ATOM 0 H LYS A 50 -6.728 10.517 -9.188 1.00 71.12 H new ATOM 0 HA LYS A 50 -4.518 10.237 -7.454 1.00 35.43 H new ATOM 0 HB2 LYS A 50 -4.808 12.188 -8.916 1.00 61.50 H new ATOM 0 HB3 LYS A 50 -6.356 12.572 -8.189 1.00 61.50 H new ATOM 0 HG2 LYS A 50 -4.577 14.129 -7.437 1.00 75.54 H new ATOM 0 HG3 LYS A 50 -5.274 13.249 -6.091 1.00 75.54 H new ATOM 0 HD2 LYS A 50 -3.307 11.655 -6.162 1.00 22.42 H new ATOM 0 HD3 LYS A 50 -2.601 12.623 -7.440 1.00 22.42 H new ATOM 0 HE2 LYS A 50 -2.415 14.566 -5.951 1.00 42.32 H new ATOM 0 HE3 LYS A 50 -3.300 13.737 -4.686 1.00 42.32 H new ATOM 0 HZ1 LYS A 50 -1.426 12.838 -3.967 1.00 11.14 H new ATOM 0 HZ2 LYS A 50 -1.108 12.141 -5.482 1.00 11.14 H new ATOM 0 HZ3 LYS A 50 -0.560 13.711 -5.138 1.00 11.14 H new ATOM 865 N ASN A 51 -7.415 10.913 -5.973 1.00 11.02 N ATOM 866 CA ASN A 51 -8.089 11.103 -4.664 1.00 2.32 C ATOM 867 C ASN A 51 -8.039 9.812 -3.830 1.00 60.44 C ATOM 868 O ASN A 51 -7.857 9.853 -2.607 1.00 73.42 O ATOM 869 CB ASN A 51 -9.560 11.539 -4.871 1.00 72.35 C ATOM 870 CG ASN A 51 -9.705 12.742 -5.804 1.00 64.41 C ATOM 871 OD1 ASN A 51 -9.655 13.897 -5.370 1.00 4.40 O ATOM 872 ND2 ASN A 51 -9.887 12.477 -7.093 1.00 50.31 N ATOM 0 H ASN A 51 -8.039 10.998 -6.775 1.00 11.02 H new ATOM 0 HA ASN A 51 -7.559 11.887 -4.123 1.00 2.32 H new ATOM 0 HB2 ASN A 51 -10.127 10.701 -5.278 1.00 72.35 H new ATOM 0 HB3 ASN A 51 -10.000 11.782 -3.904 1.00 72.35 H new ATOM 0 HD21 ASN A 51 -9.991 13.241 -7.761 1.00 50.31 H new ATOM 0 HD22 ASN A 51 -9.923 11.510 -7.415 1.00 50.31 H new ATOM 879 N GLU A 52 -8.182 8.670 -4.530 1.00 64.05 N ATOM 880 CA GLU A 52 -8.141 7.338 -3.921 1.00 13.42 C ATOM 881 C GLU A 52 -6.710 7.013 -3.466 1.00 0.03 C ATOM 882 O GLU A 52 -6.479 6.756 -2.286 1.00 75.13 O ATOM 883 CB GLU A 52 -8.636 6.265 -4.923 1.00 53.23 C ATOM 884 CG GLU A 52 -8.762 4.848 -4.319 1.00 4.43 C ATOM 885 CD GLU A 52 -9.200 3.785 -5.338 1.00 73.33 C ATOM 886 OE1 GLU A 52 -10.366 3.814 -5.774 1.00 14.50 O ATOM 887 OE2 GLU A 52 -8.377 2.928 -5.723 1.00 44.23 O ATOM 0 H GLU A 52 -8.330 8.652 -5.539 1.00 64.05 H new ATOM 0 HA GLU A 52 -8.802 7.332 -3.054 1.00 13.42 H new ATOM 0 HB2 GLU A 52 -9.607 6.569 -5.314 1.00 53.23 H new ATOM 0 HB3 GLU A 52 -7.949 6.228 -5.768 1.00 53.23 H new ATOM 0 HG2 GLU A 52 -7.802 4.557 -3.892 1.00 4.43 H new ATOM 0 HG3 GLU A 52 -9.481 4.873 -3.500 1.00 4.43 H new ATOM 894 N VAL A 53 -5.750 7.075 -4.418 1.00 0.30 N ATOM 895 CA VAL A 53 -4.353 6.642 -4.183 1.00 14.15 C ATOM 896 C VAL A 53 -3.644 7.531 -3.130 1.00 62.34 C ATOM 897 O VAL A 53 -2.797 7.053 -2.369 1.00 20.40 O ATOM 898 CB VAL A 53 -3.528 6.607 -5.528 1.00 32.11 C ATOM 899 CG1 VAL A 53 -3.192 8.020 -6.044 1.00 53.14 C ATOM 900 CG2 VAL A 53 -2.267 5.715 -5.405 1.00 65.04 C ATOM 0 H VAL A 53 -5.920 7.423 -5.362 1.00 0.30 H new ATOM 0 HA VAL A 53 -4.398 5.628 -3.785 1.00 14.15 H new ATOM 0 HB VAL A 53 -4.170 6.149 -6.281 1.00 32.11 H new ATOM 0 HG11 VAL A 53 -2.624 7.943 -6.971 1.00 53.14 H new ATOM 0 HG12 VAL A 53 -4.115 8.569 -6.229 1.00 53.14 H new ATOM 0 HG13 VAL A 53 -2.599 8.548 -5.298 1.00 53.14 H new ATOM 0 HG21 VAL A 53 -1.726 5.717 -6.351 1.00 65.04 H new ATOM 0 HG22 VAL A 53 -1.622 6.104 -4.617 1.00 65.04 H new ATOM 0 HG23 VAL A 53 -2.565 4.696 -5.159 1.00 65.04 H new ATOM 910 N ASP A 54 -4.033 8.813 -3.076 1.00 32.14 N ATOM 911 CA ASP A 54 -3.446 9.796 -2.156 1.00 1.34 C ATOM 912 C ASP A 54 -3.993 9.583 -0.739 1.00 73.24 C ATOM 913 O ASP A 54 -3.259 9.761 0.247 1.00 71.32 O ATOM 914 CB ASP A 54 -3.726 11.236 -2.640 1.00 74.31 C ATOM 915 CG ASP A 54 -2.993 12.297 -1.802 1.00 73.14 C ATOM 916 OD1 ASP A 54 -1.778 12.490 -2.023 1.00 42.23 O ATOM 917 OD2 ASP A 54 -3.616 12.931 -0.925 1.00 22.24 O ATOM 0 H ASP A 54 -4.766 9.198 -3.672 1.00 32.14 H new ATOM 0 HA ASP A 54 -2.366 9.653 -2.138 1.00 1.34 H new ATOM 0 HB2 ASP A 54 -3.423 11.330 -3.683 1.00 74.31 H new ATOM 0 HB3 ASP A 54 -4.799 11.426 -2.601 1.00 74.31 H new ATOM 922 N ARG A 55 -5.293 9.191 -0.654 1.00 22.03 N ATOM 923 CA ARG A 55 -5.898 8.735 0.604 1.00 12.14 C ATOM 924 C ARG A 55 -5.079 7.564 1.168 1.00 41.20 C ATOM 925 O ARG A 55 -4.651 7.618 2.304 1.00 30.12 O ATOM 926 CB ARG A 55 -7.380 8.283 0.430 1.00 64.32 C ATOM 927 CG ARG A 55 -7.973 7.613 1.700 1.00 43.41 C ATOM 928 CD ARG A 55 -9.314 6.907 1.465 1.00 22.04 C ATOM 929 NE ARG A 55 -9.623 5.973 2.566 1.00 61.32 N ATOM 930 CZ ARG A 55 -10.558 5.012 2.539 1.00 61.21 C ATOM 931 NH1 ARG A 55 -11.331 4.818 1.467 1.00 71.12 N ATOM 932 NH2 ARG A 55 -10.694 4.221 3.592 1.00 52.41 N ATOM 0 H ARG A 55 -5.933 9.186 -1.448 1.00 22.03 H new ATOM 0 HA ARG A 55 -5.892 9.582 1.290 1.00 12.14 H new ATOM 0 HB2 ARG A 55 -7.988 9.149 0.167 1.00 64.32 H new ATOM 0 HB3 ARG A 55 -7.444 7.584 -0.404 1.00 64.32 H new ATOM 0 HG2 ARG A 55 -7.255 6.888 2.085 1.00 43.41 H new ATOM 0 HG3 ARG A 55 -8.104 8.372 2.471 1.00 43.41 H new ATOM 0 HD2 ARG A 55 -10.109 7.648 1.379 1.00 22.04 H new ATOM 0 HD3 ARG A 55 -9.282 6.363 0.521 1.00 22.04 H new ATOM 0 HE ARG A 55 -9.077 6.067 3.423 1.00 61.32 H new ATOM 0 HH11 ARG A 55 -11.217 5.408 0.643 1.00 71.12 H new ATOM 0 HH12 ARG A 55 -12.035 4.080 1.473 1.00 71.12 H new ATOM 0 HH21 ARG A 55 -10.093 4.348 4.406 1.00 52.41 H new ATOM 0 HH22 ARG A 55 -11.400 3.485 3.589 1.00 52.41 H new ATOM 946 N ILE A 56 -4.845 6.543 0.321 1.00 22.35 N ATOM 947 CA ILE A 56 -4.118 5.312 0.695 1.00 2.12 C ATOM 948 C ILE A 56 -2.681 5.638 1.152 1.00 31.31 C ATOM 949 O ILE A 56 -2.176 5.032 2.100 1.00 25.32 O ATOM 950 CB ILE A 56 -4.066 4.307 -0.517 1.00 64.20 C ATOM 951 CG1 ILE A 56 -5.506 3.984 -1.032 1.00 15.40 C ATOM 952 CG2 ILE A 56 -3.304 3.007 -0.150 1.00 61.21 C ATOM 953 CD1 ILE A 56 -5.553 3.319 -2.395 1.00 35.12 C ATOM 0 H ILE A 56 -5.157 6.548 -0.650 1.00 22.35 H new ATOM 0 HA ILE A 56 -4.656 4.849 1.522 1.00 2.12 H new ATOM 0 HB ILE A 56 -3.515 4.792 -1.323 1.00 64.20 H new ATOM 0 HG12 ILE A 56 -6.000 3.336 -0.308 1.00 15.40 H new ATOM 0 HG13 ILE A 56 -6.079 4.910 -1.074 1.00 15.40 H new ATOM 0 HG21 ILE A 56 -3.289 2.339 -1.011 1.00 61.21 H new ATOM 0 HG22 ILE A 56 -2.281 3.253 0.136 1.00 61.21 H new ATOM 0 HG23 ILE A 56 -3.805 2.514 0.683 1.00 61.21 H new ATOM 0 HD11 ILE A 56 -6.590 3.132 -2.673 1.00 35.12 H new ATOM 0 HD12 ILE A 56 -5.092 3.973 -3.135 1.00 35.12 H new ATOM 0 HD13 ILE A 56 -5.011 2.374 -2.358 1.00 35.12 H new ATOM 965 N LEU A 57 -2.053 6.619 0.470 1.00 42.12 N ATOM 966 CA LEU A 57 -0.674 7.058 0.758 1.00 1.23 C ATOM 967 C LEU A 57 -0.548 7.594 2.193 1.00 65.31 C ATOM 968 O LEU A 57 0.332 7.164 2.944 1.00 14.21 O ATOM 969 CB LEU A 57 -0.207 8.142 -0.248 1.00 64.40 C ATOM 970 CG LEU A 57 1.275 8.611 -0.076 1.00 22.23 C ATOM 971 CD1 LEU A 57 2.262 7.472 -0.368 1.00 1.01 C ATOM 972 CD2 LEU A 57 1.578 9.866 -0.915 1.00 43.10 C ATOM 0 H LEU A 57 -2.490 7.129 -0.297 1.00 42.12 H new ATOM 0 HA LEU A 57 -0.031 6.184 0.653 1.00 1.23 H new ATOM 0 HB2 LEU A 57 -0.335 7.756 -1.259 1.00 64.40 H new ATOM 0 HB3 LEU A 57 -0.860 9.010 -0.153 1.00 64.40 H new ATOM 0 HG LEU A 57 1.408 8.891 0.969 1.00 22.23 H new ATOM 0 HD11 LEU A 57 3.282 7.833 -0.239 1.00 1.01 H new ATOM 0 HD12 LEU A 57 2.079 6.647 0.320 1.00 1.01 H new ATOM 0 HD13 LEU A 57 2.126 7.127 -1.393 1.00 1.01 H new ATOM 0 HD21 LEU A 57 2.617 10.160 -0.768 1.00 43.10 H new ATOM 0 HD22 LEU A 57 1.408 9.648 -1.969 1.00 43.10 H new ATOM 0 HD23 LEU A 57 0.923 10.679 -0.602 1.00 43.10 H new ATOM 984 N GLU A 58 -1.435 8.535 2.565 1.00 43.24 N ATOM 985 CA GLU A 58 -1.444 9.100 3.924 1.00 24.33 C ATOM 986 C GLU A 58 -1.984 8.069 4.942 1.00 54.33 C ATOM 987 O GLU A 58 -1.500 8.008 6.067 1.00 62.01 O ATOM 988 CB GLU A 58 -2.267 10.413 3.993 1.00 12.20 C ATOM 989 CG GLU A 58 -3.751 10.270 3.605 1.00 13.21 C ATOM 990 CD GLU A 58 -4.577 11.529 3.881 1.00 22.23 C ATOM 991 OE1 GLU A 58 -5.036 11.700 5.032 1.00 23.11 O ATOM 992 OE2 GLU A 58 -4.770 12.357 2.965 1.00 41.12 O ATOM 0 H GLU A 58 -2.150 8.917 1.947 1.00 43.24 H new ATOM 0 HA GLU A 58 -0.413 9.341 4.184 1.00 24.33 H new ATOM 0 HB2 GLU A 58 -2.208 10.809 5.007 1.00 12.20 H new ATOM 0 HB3 GLU A 58 -1.804 11.150 3.336 1.00 12.20 H new ATOM 0 HG2 GLU A 58 -3.819 10.025 2.545 1.00 13.21 H new ATOM 0 HG3 GLU A 58 -4.183 9.434 4.154 1.00 13.21 H new ATOM 999 N GLU A 59 -2.947 7.238 4.501 1.00 51.31 N ATOM 1000 CA GLU A 59 -3.705 6.317 5.376 1.00 75.11 C ATOM 1001 C GLU A 59 -2.824 5.172 5.884 1.00 13.11 C ATOM 1002 O GLU A 59 -2.939 4.807 7.043 1.00 31.23 O ATOM 1003 CB GLU A 59 -4.954 5.773 4.632 1.00 4.32 C ATOM 1004 CG GLU A 59 -5.850 4.805 5.433 1.00 40.24 C ATOM 1005 CD GLU A 59 -7.161 4.442 4.709 1.00 12.25 C ATOM 1006 OE1 GLU A 59 -7.109 3.977 3.554 1.00 0.40 O ATOM 1007 OE2 GLU A 59 -8.256 4.610 5.297 1.00 32.03 O ATOM 0 H GLU A 59 -3.225 7.185 3.521 1.00 51.31 H new ATOM 0 HA GLU A 59 -4.039 6.878 6.249 1.00 75.11 H new ATOM 0 HB2 GLU A 59 -5.561 6.621 4.315 1.00 4.32 H new ATOM 0 HB3 GLU A 59 -4.621 5.264 3.728 1.00 4.32 H new ATOM 0 HG2 GLU A 59 -5.292 3.891 5.638 1.00 40.24 H new ATOM 0 HG3 GLU A 59 -6.089 5.256 6.396 1.00 40.24 H new ATOM 1014 N VAL A 60 -1.933 4.630 5.021 1.00 44.22 N ATOM 1015 CA VAL A 60 -0.966 3.577 5.433 1.00 4.10 C ATOM 1016 C VAL A 60 0.010 4.137 6.495 1.00 53.25 C ATOM 1017 O VAL A 60 0.339 3.466 7.471 1.00 14.00 O ATOM 1018 CB VAL A 60 -0.172 2.961 4.206 1.00 33.30 C ATOM 1019 CG1 VAL A 60 0.567 4.031 3.381 1.00 61.21 C ATOM 1020 CG2 VAL A 60 0.811 1.851 4.661 1.00 41.31 C ATOM 0 H VAL A 60 -1.861 4.900 4.040 1.00 44.22 H new ATOM 0 HA VAL A 60 -1.543 2.761 5.869 1.00 4.10 H new ATOM 0 HB VAL A 60 -0.922 2.511 3.556 1.00 33.30 H new ATOM 0 HG11 VAL A 60 1.093 3.554 2.554 1.00 61.21 H new ATOM 0 HG12 VAL A 60 -0.153 4.748 2.987 1.00 61.21 H new ATOM 0 HG13 VAL A 60 1.285 4.549 4.017 1.00 61.21 H new ATOM 0 HG21 VAL A 60 1.337 1.453 3.793 1.00 41.31 H new ATOM 0 HG22 VAL A 60 1.533 2.269 5.362 1.00 41.31 H new ATOM 0 HG23 VAL A 60 0.255 1.050 5.148 1.00 41.31 H new ATOM 1030 N ARG A 61 0.400 5.403 6.315 1.00 4.03 N ATOM 1031 CA ARG A 61 1.277 6.129 7.245 1.00 74.30 C ATOM 1032 C ARG A 61 0.553 6.418 8.592 1.00 52.23 C ATOM 1033 O ARG A 61 1.172 6.395 9.659 1.00 71.14 O ATOM 1034 CB ARG A 61 1.747 7.432 6.539 1.00 61.15 C ATOM 1035 CG ARG A 61 2.714 7.188 5.354 1.00 41.43 C ATOM 1036 CD ARG A 61 2.904 8.425 4.462 1.00 22.44 C ATOM 1037 NE ARG A 61 3.186 9.652 5.223 1.00 52.43 N ATOM 1038 CZ ARG A 61 3.205 10.889 4.698 1.00 53.40 C ATOM 1039 NH1 ARG A 61 2.979 11.085 3.402 1.00 54.40 N ATOM 1040 NH2 ARG A 61 3.425 11.931 5.485 1.00 55.43 N ATOM 0 H ARG A 61 0.113 5.961 5.511 1.00 4.03 H new ATOM 0 HA ARG A 61 2.146 5.522 7.498 1.00 74.30 H new ATOM 0 HB2 ARG A 61 0.873 7.973 6.177 1.00 61.15 H new ATOM 0 HB3 ARG A 61 2.239 8.073 7.271 1.00 61.15 H new ATOM 0 HG2 ARG A 61 3.683 6.876 5.743 1.00 41.43 H new ATOM 0 HG3 ARG A 61 2.335 6.366 4.747 1.00 41.43 H new ATOM 0 HD2 ARG A 61 3.723 8.241 3.766 1.00 22.44 H new ATOM 0 HD3 ARG A 61 2.005 8.575 3.864 1.00 22.44 H new ATOM 0 HE ARG A 61 3.381 9.557 6.220 1.00 52.43 H new ATOM 0 HH11 ARG A 61 2.788 10.290 2.792 1.00 54.40 H new ATOM 0 HH12 ARG A 61 2.997 12.030 3.018 1.00 54.40 H new ATOM 0 HH21 ARG A 61 3.579 11.792 6.484 1.00 55.43 H new ATOM 0 HH22 ARG A 61 3.441 12.872 5.092 1.00 55.43 H new ATOM 1054 N ARG A 62 -0.770 6.643 8.513 1.00 22.20 N ATOM 1055 CA ARG A 62 -1.629 6.962 9.678 1.00 62.12 C ATOM 1056 C ARG A 62 -2.125 5.682 10.390 1.00 51.31 C ATOM 1057 O ARG A 62 -2.421 5.711 11.591 1.00 31.11 O ATOM 1058 CB ARG A 62 -2.841 7.812 9.198 1.00 15.42 C ATOM 1059 CG ARG A 62 -2.490 9.262 8.759 1.00 64.23 C ATOM 1060 CD ARG A 62 -3.673 9.973 8.065 1.00 2.12 C ATOM 1061 NE ARG A 62 -4.913 9.876 8.852 1.00 74.44 N ATOM 1062 CZ ARG A 62 -6.162 9.954 8.362 1.00 32.22 C ATOM 1063 NH1 ARG A 62 -6.390 10.153 7.058 1.00 74.34 N ATOM 1064 NH2 ARG A 62 -7.184 9.817 9.191 1.00 24.13 N ATOM 0 H ARG A 62 -1.283 6.609 7.632 1.00 22.20 H new ATOM 0 HA ARG A 62 -1.038 7.527 10.399 1.00 62.12 H new ATOM 0 HB2 ARG A 62 -3.317 7.300 8.362 1.00 15.42 H new ATOM 0 HB3 ARG A 62 -3.575 7.859 10.003 1.00 15.42 H new ATOM 0 HG2 ARG A 62 -2.185 9.839 9.632 1.00 64.23 H new ATOM 0 HG3 ARG A 62 -1.637 9.236 8.081 1.00 64.23 H new ATOM 0 HD2 ARG A 62 -3.424 11.023 7.909 1.00 2.12 H new ATOM 0 HD3 ARG A 62 -3.833 9.533 7.081 1.00 2.12 H new ATOM 0 HE ARG A 62 -4.816 9.737 9.858 1.00 74.44 H new ATOM 0 HH11 ARG A 62 -5.606 10.249 6.412 1.00 74.34 H new ATOM 0 HH12 ARG A 62 -7.347 10.209 6.710 1.00 74.34 H new ATOM 0 HH21 ARG A 62 -7.017 9.655 10.184 1.00 24.13 H new ATOM 0 HH22 ARG A 62 -8.139 9.873 8.837 1.00 24.13 H new ATOM 1078 N LYS A 63 -2.205 4.565 9.642 1.00 74.35 N ATOM 1079 CA LYS A 63 -2.793 3.299 10.133 1.00 54.11 C ATOM 1080 C LYS A 63 -1.708 2.446 10.788 1.00 52.22 C ATOM 1081 O LYS A 63 -1.905 1.873 11.867 1.00 71.25 O ATOM 1082 CB LYS A 63 -3.420 2.498 8.947 1.00 54.12 C ATOM 1083 CG LYS A 63 -4.324 1.316 9.366 1.00 34.24 C ATOM 1084 CD LYS A 63 -5.644 1.787 10.020 1.00 51.05 C ATOM 1085 CE LYS A 63 -6.532 2.587 9.044 1.00 75.34 C ATOM 1086 NZ LYS A 63 -7.800 3.039 9.676 1.00 13.13 N ATOM 0 H LYS A 63 -1.865 4.512 8.682 1.00 74.35 H new ATOM 0 HA LYS A 63 -3.569 3.536 10.861 1.00 54.11 H new ATOM 0 HB2 LYS A 63 -4.004 3.184 8.333 1.00 54.12 H new ATOM 0 HB3 LYS A 63 -2.615 2.116 8.320 1.00 54.12 H new ATOM 0 HG2 LYS A 63 -4.552 0.708 8.490 1.00 34.24 H new ATOM 0 HG3 LYS A 63 -3.783 0.678 10.065 1.00 34.24 H new ATOM 0 HD2 LYS A 63 -6.196 0.920 10.382 1.00 51.05 H new ATOM 0 HD3 LYS A 63 -5.416 2.405 10.889 1.00 51.05 H new ATOM 0 HE2 LYS A 63 -5.980 3.454 8.682 1.00 75.34 H new ATOM 0 HE3 LYS A 63 -6.761 1.969 8.176 1.00 75.34 H new ATOM 0 HZ1 LYS A 63 -8.363 3.572 8.982 1.00 13.13 H new ATOM 0 HZ2 LYS A 63 -8.341 2.212 9.999 1.00 13.13 H new ATOM 0 HZ3 LYS A 63 -7.584 3.650 10.489 1.00 13.13 H new ATOM 1100 N VAL A 64 -0.551 2.395 10.120 1.00 34.31 N ATOM 1101 CA VAL A 64 0.569 1.524 10.488 1.00 10.53 C ATOM 1102 C VAL A 64 1.907 2.304 10.345 1.00 74.44 C ATOM 1103 O VAL A 64 2.526 2.322 9.275 1.00 11.11 O ATOM 1104 CB VAL A 64 0.557 0.170 9.650 1.00 61.42 C ATOM 1105 CG1 VAL A 64 -0.535 -0.794 10.171 1.00 42.44 C ATOM 1106 CG2 VAL A 64 0.382 0.410 8.134 1.00 74.41 C ATOM 0 H VAL A 64 -0.364 2.966 9.296 1.00 34.31 H new ATOM 0 HA VAL A 64 0.463 1.229 11.532 1.00 10.53 H new ATOM 0 HB VAL A 64 1.535 -0.291 9.792 1.00 61.42 H new ATOM 0 HG11 VAL A 64 -0.522 -1.711 9.582 1.00 42.44 H new ATOM 0 HG12 VAL A 64 -0.341 -1.032 11.217 1.00 42.44 H new ATOM 0 HG13 VAL A 64 -1.512 -0.319 10.082 1.00 42.44 H new ATOM 0 HG21 VAL A 64 0.381 -0.547 7.612 1.00 74.41 H new ATOM 0 HG22 VAL A 64 -0.563 0.923 7.953 1.00 74.41 H new ATOM 0 HG23 VAL A 64 1.204 1.024 7.765 1.00 74.41 H new ATOM 1116 N PRO A 65 2.346 3.024 11.442 1.00 22.00 N ATOM 1117 CA PRO A 65 3.628 3.789 11.465 1.00 32.31 C ATOM 1118 C PRO A 65 4.916 2.923 11.433 1.00 11.45 C ATOM 1119 O PRO A 65 6.014 3.467 11.569 1.00 61.45 O ATOM 1120 CB PRO A 65 3.535 4.604 12.791 1.00 72.00 C ATOM 1121 CG PRO A 65 2.610 3.811 13.661 1.00 74.21 C ATOM 1122 CD PRO A 65 1.587 3.213 12.720 1.00 33.01 C ATOM 0 HA PRO A 65 3.726 4.395 10.564 1.00 32.31 H new ATOM 0 HB2 PRO A 65 4.515 4.718 13.255 1.00 72.00 H new ATOM 0 HB3 PRO A 65 3.148 5.607 12.613 1.00 72.00 H new ATOM 0 HG2 PRO A 65 3.149 3.033 14.201 1.00 74.21 H new ATOM 0 HG3 PRO A 65 2.133 4.445 14.408 1.00 74.21 H new ATOM 0 HD2 PRO A 65 1.199 2.267 13.099 1.00 33.01 H new ATOM 0 HD3 PRO A 65 0.733 3.876 12.584 1.00 33.01 H new ATOM 1130 N ASN A 66 4.797 1.586 11.268 1.00 2.32 N ATOM 1131 CA ASN A 66 5.972 0.695 11.067 1.00 34.03 C ATOM 1132 C ASN A 66 6.127 0.338 9.571 1.00 2.42 C ATOM 1133 O ASN A 66 6.961 -0.494 9.208 1.00 5.54 O ATOM 1134 CB ASN A 66 5.849 -0.613 11.909 1.00 14.13 C ATOM 1135 CG ASN A 66 5.519 -0.390 13.390 1.00 24.15 C ATOM 1136 OD1 ASN A 66 5.925 0.600 13.997 1.00 40.10 O ATOM 1137 ND2 ASN A 66 4.758 -1.309 13.984 1.00 72.22 N ATOM 0 H ASN A 66 3.902 1.097 11.269 1.00 2.32 H new ATOM 0 HA ASN A 66 6.856 1.236 11.404 1.00 34.03 H new ATOM 0 HB2 ASN A 66 5.075 -1.242 11.469 1.00 14.13 H new ATOM 0 HB3 ASN A 66 6.786 -1.165 11.838 1.00 14.13 H new ATOM 0 HD21 ASN A 66 4.499 -1.200 14.965 1.00 72.22 H new ATOM 0 HD22 ASN A 66 4.434 -2.121 13.458 1.00 72.22 H new ATOM 1144 N ALA A 67 5.307 0.966 8.713 1.00 32.35 N ATOM 1145 CA ALA A 67 5.340 0.752 7.258 1.00 0.22 C ATOM 1146 C ALA A 67 6.148 1.875 6.579 1.00 61.10 C ATOM 1147 O ALA A 67 5.688 3.018 6.505 1.00 20.21 O ATOM 1148 CB ALA A 67 3.899 0.680 6.709 1.00 32.34 C ATOM 0 H ALA A 67 4.600 1.639 9.010 1.00 32.35 H new ATOM 0 HA ALA A 67 5.834 -0.194 7.037 1.00 0.22 H new ATOM 0 HB1 ALA A 67 3.928 0.521 5.631 1.00 32.34 H new ATOM 0 HB2 ALA A 67 3.370 -0.146 7.183 1.00 32.34 H new ATOM 0 HB3 ALA A 67 3.380 1.614 6.925 1.00 32.34 H new ATOM 1154 N ARG A 68 7.377 1.545 6.139 1.00 21.50 N ATOM 1155 CA ARG A 68 8.236 2.457 5.356 1.00 14.40 C ATOM 1156 C ARG A 68 7.699 2.555 3.913 1.00 62.13 C ATOM 1157 O ARG A 68 7.858 1.634 3.111 1.00 3.21 O ATOM 1158 CB ARG A 68 9.710 1.964 5.365 1.00 22.34 C ATOM 1159 CG ARG A 68 10.687 2.795 4.491 1.00 11.30 C ATOM 1160 CD ARG A 68 10.806 4.267 4.941 1.00 64.13 C ATOM 1161 NE ARG A 68 11.709 5.036 4.060 1.00 53.51 N ATOM 1162 CZ ARG A 68 11.413 6.201 3.449 1.00 20.53 C ATOM 1163 NH1 ARG A 68 10.218 6.786 3.602 1.00 61.23 N ATOM 1164 NH2 ARG A 68 12.330 6.781 2.683 1.00 73.20 N ATOM 0 H ARG A 68 7.804 0.636 6.316 1.00 21.50 H new ATOM 0 HA ARG A 68 8.215 3.448 5.810 1.00 14.40 H new ATOM 0 HB2 ARG A 68 10.072 1.969 6.393 1.00 22.34 H new ATOM 0 HB3 ARG A 68 9.733 0.929 5.024 1.00 22.34 H new ATOM 0 HG2 ARG A 68 11.673 2.332 4.520 1.00 11.30 H new ATOM 0 HG3 ARG A 68 10.352 2.765 3.454 1.00 11.30 H new ATOM 0 HD2 ARG A 68 9.818 4.728 4.942 1.00 64.13 H new ATOM 0 HD3 ARG A 68 11.177 4.306 5.965 1.00 64.13 H new ATOM 0 HE ARG A 68 12.640 4.651 3.900 1.00 53.51 H new ATOM 0 HH11 ARG A 68 9.508 6.350 4.191 1.00 61.23 H new ATOM 0 HH12 ARG A 68 10.017 7.667 3.129 1.00 61.23 H new ATOM 0 HH21 ARG A 68 13.244 6.345 2.563 1.00 73.20 H new ATOM 0 HH22 ARG A 68 12.120 7.662 2.215 1.00 73.20 H new ATOM 1178 N VAL A 69 7.064 3.682 3.610 1.00 64.05 N ATOM 1179 CA VAL A 69 6.383 3.921 2.332 1.00 31.45 C ATOM 1180 C VAL A 69 7.345 4.592 1.325 1.00 71.43 C ATOM 1181 O VAL A 69 8.254 5.330 1.720 1.00 2.04 O ATOM 1182 CB VAL A 69 5.100 4.800 2.590 1.00 41.22 C ATOM 1183 CG1 VAL A 69 4.314 5.079 1.298 1.00 74.05 C ATOM 1184 CG2 VAL A 69 4.189 4.138 3.659 1.00 32.50 C ATOM 0 H VAL A 69 7.004 4.472 4.253 1.00 64.05 H new ATOM 0 HA VAL A 69 6.071 2.973 1.894 1.00 31.45 H new ATOM 0 HB VAL A 69 5.441 5.764 2.969 1.00 41.22 H new ATOM 0 HG11 VAL A 69 3.440 5.688 1.528 1.00 74.05 H new ATOM 0 HG12 VAL A 69 4.951 5.612 0.592 1.00 74.05 H new ATOM 0 HG13 VAL A 69 3.993 4.136 0.856 1.00 74.05 H new ATOM 0 HG21 VAL A 69 3.309 4.760 3.823 1.00 32.50 H new ATOM 0 HG22 VAL A 69 3.877 3.153 3.312 1.00 32.50 H new ATOM 0 HG23 VAL A 69 4.740 4.036 4.594 1.00 32.50 H new ATOM 1194 N ARG A 70 7.146 4.292 0.030 1.00 11.22 N ATOM 1195 CA ARG A 70 7.959 4.810 -1.082 1.00 34.32 C ATOM 1196 C ARG A 70 7.037 5.177 -2.260 1.00 53.04 C ATOM 1197 O ARG A 70 6.239 4.353 -2.705 1.00 73.22 O ATOM 1198 CB ARG A 70 9.003 3.747 -1.533 1.00 31.42 C ATOM 1199 CG ARG A 70 9.769 4.096 -2.835 1.00 42.24 C ATOM 1200 CD ARG A 70 10.695 5.318 -2.696 1.00 3.20 C ATOM 1201 NE ARG A 70 11.081 5.880 -4.003 1.00 74.03 N ATOM 1202 CZ ARG A 70 12.131 6.698 -4.210 1.00 71.41 C ATOM 1203 NH1 ARG A 70 12.936 7.061 -3.209 1.00 75.34 N ATOM 1204 NH2 ARG A 70 12.367 7.166 -5.430 1.00 60.33 N ATOM 0 H ARG A 70 6.399 3.669 -0.279 1.00 11.22 H new ATOM 0 HA ARG A 70 8.495 5.699 -0.749 1.00 34.32 H new ATOM 0 HB2 ARG A 70 9.726 3.606 -0.730 1.00 31.42 H new ATOM 0 HB3 ARG A 70 8.492 2.794 -1.673 1.00 31.42 H new ATOM 0 HG2 ARG A 70 10.362 3.234 -3.140 1.00 42.24 H new ATOM 0 HG3 ARG A 70 9.049 4.285 -3.631 1.00 42.24 H new ATOM 0 HD2 ARG A 70 10.193 6.086 -2.107 1.00 3.20 H new ATOM 0 HD3 ARG A 70 11.592 5.031 -2.148 1.00 3.20 H new ATOM 0 HE ARG A 70 10.510 5.631 -4.811 1.00 74.03 H new ATOM 0 HH11 ARG A 70 12.762 6.718 -2.264 1.00 75.34 H new ATOM 0 HH12 ARG A 70 13.725 7.681 -3.389 1.00 75.34 H new ATOM 0 HH21 ARG A 70 11.755 6.906 -6.203 1.00 60.33 H new ATOM 0 HH22 ARG A 70 13.160 7.786 -5.594 1.00 60.33 H new ATOM 1218 N GLU A 71 7.173 6.409 -2.762 1.00 42.12 N ATOM 1219 CA GLU A 71 6.397 6.907 -3.907 1.00 32.10 C ATOM 1220 C GLU A 71 7.216 6.721 -5.195 1.00 24.41 C ATOM 1221 O GLU A 71 8.404 7.065 -5.236 1.00 23.43 O ATOM 1222 CB GLU A 71 6.016 8.410 -3.727 1.00 12.14 C ATOM 1223 CG GLU A 71 5.187 8.734 -2.455 1.00 52.43 C ATOM 1224 CD GLU A 71 6.006 8.689 -1.147 1.00 1.34 C ATOM 1225 OE1 GLU A 71 6.768 9.642 -0.886 1.00 51.34 O ATOM 1226 OE2 GLU A 71 5.903 7.706 -0.382 1.00 35.54 O ATOM 0 H GLU A 71 7.828 7.094 -2.384 1.00 42.12 H new ATOM 0 HA GLU A 71 5.471 6.336 -3.971 1.00 32.10 H new ATOM 0 HB2 GLU A 71 6.932 9.000 -3.704 1.00 12.14 H new ATOM 0 HB3 GLU A 71 5.451 8.732 -4.601 1.00 12.14 H new ATOM 0 HG2 GLU A 71 4.747 9.725 -2.563 1.00 52.43 H new ATOM 0 HG3 GLU A 71 4.362 8.025 -2.380 1.00 52.43 H new ATOM 1233 N THR A 72 6.572 6.151 -6.222 1.00 25.23 N ATOM 1234 CA THR A 72 7.151 5.939 -7.564 1.00 62.52 C ATOM 1235 C THR A 72 6.059 6.244 -8.611 1.00 32.22 C ATOM 1236 O THR A 72 5.016 5.594 -8.611 1.00 43.45 O ATOM 1237 CB THR A 72 7.681 4.459 -7.731 1.00 54.53 C ATOM 1238 OG1 THR A 72 6.671 3.523 -7.314 1.00 10.21 O ATOM 1239 CG2 THR A 72 8.968 4.190 -6.914 1.00 52.50 C ATOM 0 H THR A 72 5.612 5.815 -6.146 1.00 25.23 H new ATOM 0 HA THR A 72 8.004 6.603 -7.703 1.00 62.52 H new ATOM 0 HB THR A 72 7.917 4.331 -8.788 1.00 54.53 H new ATOM 0 HG1 THR A 72 5.918 4.009 -6.918 1.00 10.21 H new ATOM 0 HG21 THR A 72 9.287 3.159 -7.066 1.00 52.50 H new ATOM 0 HG22 THR A 72 9.757 4.866 -7.244 1.00 52.50 H new ATOM 0 HG23 THR A 72 8.768 4.355 -5.855 1.00 52.50 H new ATOM 1247 N GLU A 73 6.266 7.276 -9.453 1.00 61.25 N ATOM 1248 CA GLU A 73 5.278 7.666 -10.477 1.00 60.12 C ATOM 1249 C GLU A 73 5.581 6.965 -11.816 1.00 13.33 C ATOM 1250 O GLU A 73 6.624 7.209 -12.444 1.00 54.52 O ATOM 1251 CB GLU A 73 5.230 9.208 -10.651 1.00 63.02 C ATOM 1252 CG GLU A 73 4.214 9.686 -11.714 1.00 50.33 C ATOM 1253 CD GLU A 73 4.092 11.214 -11.817 1.00 63.03 C ATOM 1254 OE1 GLU A 73 4.985 11.849 -12.420 1.00 0.44 O ATOM 1255 OE2 GLU A 73 3.107 11.788 -11.300 1.00 43.50 O ATOM 0 H GLU A 73 7.107 7.853 -9.444 1.00 61.25 H new ATOM 0 HA GLU A 73 4.293 7.343 -10.139 1.00 60.12 H new ATOM 0 HB2 GLU A 73 4.981 9.665 -9.693 1.00 63.02 H new ATOM 0 HB3 GLU A 73 6.223 9.564 -10.925 1.00 63.02 H new ATOM 0 HG2 GLU A 73 4.506 9.288 -12.686 1.00 50.33 H new ATOM 0 HG3 GLU A 73 3.235 9.268 -11.480 1.00 50.33 H new ATOM 1262 N THR A 74 4.658 6.081 -12.214 1.00 55.31 N ATOM 1263 CA THR A 74 4.667 5.418 -13.518 1.00 61.21 C ATOM 1264 C THR A 74 4.207 6.441 -14.586 1.00 31.40 C ATOM 1265 O THR A 74 3.223 7.150 -14.384 1.00 14.13 O ATOM 1266 CB THR A 74 3.702 4.181 -13.506 1.00 22.32 C ATOM 1267 OG1 THR A 74 3.910 3.390 -12.314 1.00 72.34 O ATOM 1268 CG2 THR A 74 3.884 3.280 -14.745 1.00 1.20 C ATOM 0 H THR A 74 3.872 5.804 -11.627 1.00 55.31 H new ATOM 0 HA THR A 74 5.671 5.062 -13.747 1.00 61.21 H new ATOM 0 HB THR A 74 2.687 4.578 -13.522 1.00 22.32 H new ATOM 0 HG1 THR A 74 3.300 2.623 -12.320 1.00 72.34 H new ATOM 0 HG21 THR A 74 3.193 2.439 -14.688 1.00 1.20 H new ATOM 0 HG22 THR A 74 3.680 3.857 -15.647 1.00 1.20 H new ATOM 0 HG23 THR A 74 4.908 2.907 -14.776 1.00 1.20 H new ATOM 1276 N GLY A 75 4.937 6.510 -15.699 1.00 72.51 N ATOM 1277 CA GLY A 75 4.725 7.530 -16.740 1.00 51.15 C ATOM 1278 C GLY A 75 5.982 8.364 -16.953 1.00 74.41 C ATOM 1279 O GLY A 75 6.318 8.723 -18.085 1.00 24.03 O ATOM 0 H GLY A 75 5.695 5.861 -15.910 1.00 72.51 H new ATOM 0 HA2 GLY A 75 4.442 7.047 -17.675 1.00 51.15 H new ATOM 0 HA3 GLY A 75 3.898 8.180 -16.454 1.00 51.15 H new ATOM 1283 N SER A 76 6.686 8.656 -15.842 1.00 63.24 N ATOM 1284 CA SER A 76 7.956 9.416 -15.849 1.00 1.40 C ATOM 1285 C SER A 76 9.177 8.494 -16.096 1.00 53.42 C ATOM 1286 O SER A 76 10.282 8.975 -16.373 1.00 2.31 O ATOM 1287 CB SER A 76 8.110 10.180 -14.505 1.00 5.33 C ATOM 1288 OG SER A 76 7.091 11.160 -14.356 1.00 2.44 O ATOM 0 H SER A 76 6.390 8.371 -14.909 1.00 63.24 H new ATOM 0 HA SER A 76 7.923 10.130 -16.672 1.00 1.40 H new ATOM 0 HB2 SER A 76 8.066 9.475 -13.675 1.00 5.33 H new ATOM 0 HB3 SER A 76 9.088 10.659 -14.465 1.00 5.33 H new ATOM 0 HG SER A 76 6.603 11.000 -13.521 1.00 2.44 H new ATOM 1294 N LEU A 77 8.961 7.170 -15.998 1.00 33.34 N ATOM 1295 CA LEU A 77 10.028 6.156 -16.081 1.00 32.22 C ATOM 1296 C LEU A 77 9.959 5.422 -17.434 1.00 51.33 C ATOM 1297 O LEU A 77 9.101 4.558 -17.635 1.00 30.43 O ATOM 1298 CB LEU A 77 9.888 5.171 -14.882 1.00 32.44 C ATOM 1299 CG LEU A 77 10.094 5.803 -13.470 1.00 1.11 C ATOM 1300 CD1 LEU A 77 9.767 4.799 -12.342 1.00 14.03 C ATOM 1301 CD2 LEU A 77 11.520 6.387 -13.320 1.00 22.23 C ATOM 0 H LEU A 77 8.033 6.770 -15.858 1.00 33.34 H new ATOM 0 HA LEU A 77 11.005 6.635 -16.022 1.00 32.22 H new ATOM 0 HB2 LEU A 77 8.897 4.719 -14.918 1.00 32.44 H new ATOM 0 HB3 LEU A 77 10.610 4.365 -15.010 1.00 32.44 H new ATOM 0 HG LEU A 77 9.390 6.629 -13.375 1.00 1.11 H new ATOM 0 HD11 LEU A 77 9.922 5.276 -11.374 1.00 14.03 H new ATOM 0 HD12 LEU A 77 8.728 4.482 -12.427 1.00 14.03 H new ATOM 0 HD13 LEU A 77 10.420 3.930 -12.428 1.00 14.03 H new ATOM 0 HD21 LEU A 77 11.633 6.820 -12.326 1.00 22.23 H new ATOM 0 HD22 LEU A 77 12.254 5.593 -13.456 1.00 22.23 H new ATOM 0 HD23 LEU A 77 11.678 7.160 -14.073 1.00 22.23 H new ATOM 1313 N GLU A 78 10.854 5.806 -18.357 1.00 23.53 N ATOM 1314 CA GLU A 78 10.950 5.209 -19.705 1.00 4.15 C ATOM 1315 C GLU A 78 12.361 5.427 -20.292 1.00 62.35 C ATOM 1316 O GLU A 78 13.236 6.020 -19.639 1.00 45.20 O ATOM 1317 CB GLU A 78 9.882 5.816 -20.659 1.00 73.44 C ATOM 1318 CG GLU A 78 10.064 7.323 -20.959 1.00 73.32 C ATOM 1319 CD GLU A 78 9.151 7.811 -22.091 1.00 44.30 C ATOM 1320 OE1 GLU A 78 7.986 8.158 -21.817 1.00 61.32 O ATOM 1321 OE2 GLU A 78 9.582 7.818 -23.263 1.00 61.31 O ATOM 0 H GLU A 78 11.538 6.544 -18.191 1.00 23.53 H new ATOM 0 HA GLU A 78 10.764 4.139 -19.612 1.00 4.15 H new ATOM 0 HB2 GLU A 78 9.902 5.267 -21.601 1.00 73.44 H new ATOM 0 HB3 GLU A 78 8.895 5.663 -20.222 1.00 73.44 H new ATOM 0 HG2 GLU A 78 9.857 7.898 -20.056 1.00 73.32 H new ATOM 0 HG3 GLU A 78 11.103 7.514 -21.227 1.00 73.32 H new ATOM 1328 N HIS A 79 12.551 4.943 -21.536 1.00 4.55 N ATOM 1329 CA HIS A 79 13.795 5.106 -22.302 1.00 63.33 C ATOM 1330 C HIS A 79 14.156 6.601 -22.493 1.00 43.45 C ATOM 1331 O HIS A 79 13.284 7.439 -22.765 1.00 44.15 O ATOM 1332 CB HIS A 79 13.688 4.391 -23.683 1.00 54.31 C ATOM 1333 CG HIS A 79 12.641 4.954 -24.624 1.00 51.41 C ATOM 1334 ND1 HIS A 79 12.940 5.438 -25.880 1.00 60.33 N ATOM 1335 CD2 HIS A 79 11.297 5.094 -24.491 1.00 4.20 C ATOM 1336 CE1 HIS A 79 11.834 5.851 -26.466 1.00 50.20 C ATOM 1337 NE2 HIS A 79 10.829 5.653 -25.644 1.00 0.12 N ATOM 0 H HIS A 79 11.833 4.422 -22.040 1.00 4.55 H new ATOM 0 HA HIS A 79 14.597 4.641 -21.728 1.00 63.33 H new ATOM 0 HB2 HIS A 79 14.659 4.440 -24.175 1.00 54.31 H new ATOM 0 HB3 HIS A 79 13.470 3.337 -23.512 1.00 54.31 H new ATOM 0 HD1 HIS A 79 13.873 5.471 -26.292 1.00 60.33 H new ATOM 0 HD2 HIS A 79 10.707 4.814 -23.631 1.00 4.20 H new ATOM 0 HE1 HIS A 79 11.766 6.280 -27.455 1.00 50.20 H new ATOM 1346 N HIS A 80 15.446 6.915 -22.315 1.00 34.04 N ATOM 1347 CA HIS A 80 16.015 8.263 -22.557 1.00 61.35 C ATOM 1348 C HIS A 80 17.130 8.169 -23.617 1.00 73.13 C ATOM 1349 O HIS A 80 18.072 8.972 -23.640 1.00 53.32 O ATOM 1350 CB HIS A 80 16.506 8.897 -21.221 1.00 62.22 C ATOM 1351 CG HIS A 80 17.416 8.029 -20.386 1.00 31.04 C ATOM 1352 ND1 HIS A 80 18.789 8.132 -20.407 1.00 42.12 N ATOM 1353 CD2 HIS A 80 17.133 7.065 -19.471 1.00 73.41 C ATOM 1354 CE1 HIS A 80 19.306 7.274 -19.551 1.00 15.44 C ATOM 1355 NE2 HIS A 80 18.325 6.616 -18.971 1.00 41.12 N ATOM 0 H HIS A 80 16.138 6.238 -21.995 1.00 34.04 H new ATOM 0 HA HIS A 80 15.244 8.926 -22.949 1.00 61.35 H new ATOM 0 HB2 HIS A 80 17.028 9.826 -21.450 1.00 62.22 H new ATOM 0 HB3 HIS A 80 15.634 9.161 -20.622 1.00 62.22 H new ATOM 0 HD2 HIS A 80 16.150 6.718 -19.190 1.00 73.41 H new ATOM 0 HE1 HIS A 80 20.359 7.134 -19.358 1.00 15.44 H new ATOM 0 HE2 HIS A 80 18.435 5.889 -18.264 1.00 41.12 H new ATOM 1364 N HIS A 81 16.960 7.199 -24.533 1.00 70.04 N ATOM 1365 CA HIS A 81 17.891 6.944 -25.652 1.00 55.54 C ATOM 1366 C HIS A 81 17.144 6.230 -26.801 1.00 60.12 C ATOM 1367 O HIS A 81 16.041 5.686 -26.600 1.00 73.11 O ATOM 1368 CB HIS A 81 19.104 6.087 -25.186 1.00 70.52 C ATOM 1369 CG HIS A 81 18.762 4.642 -24.890 1.00 2.33 C ATOM 1370 ND1 HIS A 81 19.090 3.604 -25.731 1.00 20.03 N ATOM 1371 CD2 HIS A 81 18.108 4.075 -23.848 1.00 22.03 C ATOM 1372 CE1 HIS A 81 18.651 2.474 -25.223 1.00 31.41 C ATOM 1373 NE2 HIS A 81 18.054 2.728 -24.082 1.00 70.50 N ATOM 0 H HIS A 81 16.164 6.562 -24.519 1.00 70.04 H new ATOM 0 HA HIS A 81 18.272 7.901 -26.009 1.00 55.54 H new ATOM 0 HB2 HIS A 81 19.874 6.116 -25.957 1.00 70.52 H new ATOM 0 HB3 HIS A 81 19.532 6.539 -24.291 1.00 70.52 H new ATOM 0 HD1 HIS A 81 19.595 3.697 -26.612 1.00 20.03 H new ATOM 0 HD2 HIS A 81 17.703 4.591 -22.990 1.00 22.03 H new ATOM 0 HE1 HIS A 81 18.763 1.498 -25.671 1.00 31.41 H new ATOM 1382 N HIS A 82 17.762 6.225 -27.993 1.00 60.24 N ATOM 1383 CA HIS A 82 17.233 5.522 -29.179 1.00 23.31 C ATOM 1384 C HIS A 82 17.573 4.017 -29.130 1.00 20.45 C ATOM 1385 O HIS A 82 18.580 3.610 -28.543 1.00 63.22 O ATOM 1386 CB HIS A 82 17.812 6.123 -30.482 1.00 74.33 C ATOM 1387 CG HIS A 82 17.390 7.539 -30.772 1.00 32.25 C ATOM 1388 ND1 HIS A 82 16.382 7.852 -31.659 1.00 54.12 N ATOM 1389 CD2 HIS A 82 17.865 8.723 -30.322 1.00 64.35 C ATOM 1390 CE1 HIS A 82 16.258 9.158 -31.740 1.00 4.05 C ATOM 1391 NE2 HIS A 82 17.137 9.713 -30.931 1.00 15.25 N ATOM 0 H HIS A 82 18.644 6.708 -28.165 1.00 60.24 H new ATOM 0 HA HIS A 82 16.150 5.648 -29.171 1.00 23.31 H new ATOM 0 HB2 HIS A 82 18.900 6.088 -30.428 1.00 74.33 H new ATOM 0 HB3 HIS A 82 17.514 5.492 -31.319 1.00 74.33 H new ATOM 0 HD2 HIS A 82 18.669 8.863 -29.614 1.00 64.35 H new ATOM 0 HE1 HIS A 82 15.554 9.687 -32.365 1.00 4.05 H new ATOM 0 HE2 HIS A 82 17.257 10.715 -30.782 1.00 15.25 H new ATOM 1400 N HIS A 83 16.726 3.217 -29.780 1.00 71.34 N ATOM 1401 CA HIS A 83 16.928 1.772 -29.951 1.00 62.24 C ATOM 1402 C HIS A 83 16.643 1.418 -31.417 1.00 63.34 C ATOM 1403 O HIS A 83 15.531 1.647 -31.910 1.00 62.20 O ATOM 1404 CB HIS A 83 16.005 0.971 -28.991 1.00 14.01 C ATOM 1405 CG HIS A 83 15.996 -0.518 -29.246 1.00 4.33 C ATOM 1406 ND1 HIS A 83 15.008 -1.138 -29.979 1.00 32.32 N ATOM 1407 CD2 HIS A 83 16.861 -1.499 -28.888 1.00 74.14 C ATOM 1408 CE1 HIS A 83 15.260 -2.421 -30.062 1.00 60.35 C ATOM 1409 NE2 HIS A 83 16.377 -2.670 -29.411 1.00 30.35 N ATOM 0 H HIS A 83 15.866 3.557 -30.210 1.00 71.34 H new ATOM 0 HA HIS A 83 17.956 1.506 -29.703 1.00 62.24 H new ATOM 0 HB2 HIS A 83 16.323 1.151 -27.964 1.00 14.01 H new ATOM 0 HB3 HIS A 83 14.987 1.351 -29.081 1.00 14.01 H new ATOM 0 HD2 HIS A 83 17.760 -1.380 -28.302 1.00 74.14 H new ATOM 0 HE1 HIS A 83 14.654 -3.151 -30.577 1.00 60.35 H new ATOM 0 HE2 HIS A 83 16.812 -3.587 -29.312 1.00 30.35 H new ATOM 1418 N HIS A 84 17.668 0.895 -32.103 1.00 73.42 N ATOM 1419 CA HIS A 84 17.570 0.456 -33.498 1.00 33.13 C ATOM 1420 C HIS A 84 16.916 -0.957 -33.542 1.00 33.35 C ATOM 1421 O HIS A 84 17.637 -1.969 -33.435 1.00 22.30 O ATOM 1422 CB HIS A 84 18.978 0.465 -34.161 1.00 34.02 C ATOM 1423 CG HIS A 84 19.681 1.796 -34.096 1.00 33.52 C ATOM 1424 ND1 HIS A 84 20.693 2.067 -33.202 1.00 60.21 N ATOM 1425 CD2 HIS A 84 19.512 2.931 -34.815 1.00 41.13 C ATOM 1426 CE1 HIS A 84 21.111 3.303 -33.371 1.00 30.20 C ATOM 1427 NE2 HIS A 84 20.413 3.850 -34.342 1.00 44.32 N ATOM 1428 OXT HIS A 84 15.674 -1.038 -33.618 1.00 37.60 O ATOM 0 H HIS A 84 18.596 0.764 -31.700 1.00 73.42 H new ATOM 0 HA HIS A 84 16.941 1.142 -34.065 1.00 33.13 H new ATOM 0 HB2 HIS A 84 19.601 -0.287 -33.676 1.00 34.02 H new ATOM 0 HB3 HIS A 84 18.878 0.170 -35.206 1.00 34.02 H new ATOM 0 HD2 HIS A 84 18.800 3.084 -35.613 1.00 41.13 H new ATOM 0 HE1 HIS A 84 21.895 3.787 -32.807 1.00 30.20 H new ATOM 0 HE2 HIS A 84 20.524 4.803 -34.687 1.00 44.32 H new TER 1437 HIS A 84