USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 839 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 HIS : no HE2:sc= -3.07 X(o=-3.1,f=-2.6) USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.537 USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -0.579 F(o=-1.1,f=-0.2) USER MOD Set 3.2: A 103 CYS SG : rot 180:sc= 0.377 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc=-0.00439 (180deg=-0.148) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00884 X(o=-0.0088,f=-0.13) USER MOD Single : A 26 MET CE :methyl -168:sc=-0.000763 (180deg=-0.216) USER MOD Single : A 29 SER OG : rot 79:sc= 0.398 USER MOD Single : A 31 MET CE :methyl 154:sc= -0.0154 (180deg=-0.928) USER MOD Single : A 35 SER OG : rot 110:sc= -0.0368 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -47:sc= -0.143! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc=-0.00565 (180deg=-0.0416) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000102 USER MOD Single : A 67 ASN : amide:sc= -1.02 X(o=-1,f=-0.58!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.87 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -160:sc= -0.187 USER MOD Single : A 82 GLN : amide:sc= -2.71! C(o=-2.7!,f=-3.4!) USER MOD Single : A 87 HIS : no HE2:sc= -5.32! C(o=-5.3!,f=-9.9!) USER MOD Single : A 88 TYR OH : rot 30:sc= -0.538 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.495 K(o=-0.49,f=-6.7!) USER MOD Single : A 96 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.223 F(o=-0.94,f=-0.22) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -36:sc= -1.81! USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 116:sc= 0.853 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 2.411 1.427 -1.682 1.00 0.00 C ATOM 4 O MET A 1 2.132 1.816 -2.815 1.00 0.00 O ATOM 5 CB MET A 1 1.249 -0.687 -2.336 1.00 0.00 C ATOM 6 CG MET A 1 -0.031 0.097 -2.631 1.00 0.00 C ATOM 7 SD MET A 1 -1.460 -0.902 -2.249 1.00 0.00 S ATOM 8 CE MET A 1 -2.702 -0.045 -3.204 1.00 0.00 C ATOM 0 H1 MET A 1 0.810 -0.898 0.095 1.00 0.00 H new ATOM 0 H2 MET A 1 1.981 0.109 0.799 1.00 0.00 H new ATOM 0 H3 MET A 1 0.647 0.789 -0.002 1.00 0.00 H new ATOM 0 HA MET A 1 3.006 -0.542 -1.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.844 -0.775 -3.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.995 -1.700 -2.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.050 1.014 -2.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.053 0.392 -3.680 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.664 -0.541 -3.078 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.778 0.986 -2.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.423 -0.056 -4.258 1.00 0.00 H new ATOM 18 N GLU A 2 3.007 2.168 -0.760 1.00 0.00 N ATOM 19 CA GLU A 2 3.386 3.544 -1.036 1.00 0.00 C ATOM 20 C GLU A 2 2.139 4.417 -1.188 1.00 0.00 C ATOM 21 O GLU A 2 1.559 4.494 -2.270 1.00 0.00 O ATOM 22 CB GLU A 2 4.271 3.630 -2.281 1.00 0.00 C ATOM 23 CG GLU A 2 5.516 2.753 -2.130 1.00 0.00 C ATOM 24 CD GLU A 2 5.431 1.520 -3.032 1.00 0.00 C ATOM 25 OE1 GLU A 2 5.715 1.679 -4.239 1.00 0.00 O ATOM 26 OE2 GLU A 2 5.083 0.447 -2.494 1.00 0.00 O ATOM 0 H GLU A 2 3.237 1.842 0.179 1.00 0.00 H new ATOM 0 HA GLU A 2 3.966 3.917 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.704 3.315 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.569 4.665 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.405 3.331 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.622 2.441 -1.091 1.00 0.00 H new ATOM 33 N THR A 3 1.764 5.054 -0.089 1.00 0.00 N ATOM 34 CA THR A 3 0.596 5.919 -0.087 1.00 0.00 C ATOM 35 C THR A 3 0.668 6.909 1.078 1.00 0.00 C ATOM 36 O THR A 3 1.276 6.619 2.107 1.00 0.00 O ATOM 37 CB THR A 3 -0.649 5.032 -0.054 1.00 0.00 C ATOM 38 OG1 THR A 3 -0.318 4.002 0.872 1.00 0.00 O ATOM 39 CG2 THR A 3 -0.874 4.290 -1.373 1.00 0.00 C ATOM 0 H THR A 3 2.248 4.989 0.806 1.00 0.00 H new ATOM 0 HA THR A 3 0.554 6.529 -0.989 1.00 0.00 H new ATOM 0 HB THR A 3 -1.523 5.642 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.072 3.382 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.770 3.675 -1.296 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.998 5.012 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.014 3.654 -1.584 1.00 0.00 H new ATOM 47 N GLU A 4 0.039 8.057 0.877 1.00 0.00 N ATOM 48 CA GLU A 4 0.023 9.091 1.897 1.00 0.00 C ATOM 49 C GLU A 4 -0.997 10.174 1.541 1.00 0.00 C ATOM 50 O GLU A 4 -0.814 11.342 1.883 1.00 0.00 O ATOM 51 CB GLU A 4 1.417 9.693 2.090 1.00 0.00 C ATOM 52 CG GLU A 4 2.068 9.169 3.371 1.00 0.00 C ATOM 53 CD GLU A 4 3.537 8.813 3.134 1.00 0.00 C ATOM 54 OE1 GLU A 4 3.781 7.664 2.705 1.00 0.00 O ATOM 55 OE2 GLU A 4 4.383 9.698 3.386 1.00 0.00 O ATOM 0 H GLU A 4 -0.464 8.294 0.022 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.275 8.636 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.044 9.449 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.345 10.780 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.995 9.923 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.529 8.289 3.723 1.00 0.00 H new ATOM 62 N GLU A 5 -2.049 9.749 0.858 1.00 0.00 N ATOM 63 CA GLU A 5 -3.099 10.668 0.451 1.00 0.00 C ATOM 64 C GLU A 5 -4.249 10.640 1.459 1.00 0.00 C ATOM 65 O GLU A 5 -5.413 10.525 1.076 1.00 0.00 O ATOM 66 CB GLU A 5 -3.597 10.342 -0.959 1.00 0.00 C ATOM 67 CG GLU A 5 -2.927 11.241 -1.999 1.00 0.00 C ATOM 68 CD GLU A 5 -3.032 10.633 -3.399 1.00 0.00 C ATOM 69 OE1 GLU A 5 -3.056 9.386 -3.475 1.00 0.00 O ATOM 70 OE2 GLU A 5 -3.085 11.430 -4.361 1.00 0.00 O ATOM 0 H GLU A 5 -2.197 8.780 0.576 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.685 11.676 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.390 9.297 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.678 10.470 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.396 12.225 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.878 11.385 -1.739 1.00 0.00 H new ATOM 77 N TRP A 6 -3.884 10.746 2.728 1.00 0.00 N ATOM 78 CA TRP A 6 -4.871 10.734 3.795 1.00 0.00 C ATOM 79 C TRP A 6 -5.047 12.171 4.292 1.00 0.00 C ATOM 80 O TRP A 6 -6.066 12.502 4.896 1.00 0.00 O ATOM 81 CB TRP A 6 -4.467 9.763 4.905 1.00 0.00 C ATOM 82 CG TRP A 6 -3.107 10.068 5.535 1.00 0.00 C ATOM 83 CD1 TRP A 6 -1.958 9.395 5.385 1.00 0.00 C ATOM 84 CD2 TRP A 6 -2.799 11.160 6.427 1.00 0.00 C ATOM 85 NE1 TRP A 6 -0.936 9.970 6.111 1.00 0.00 N ATOM 86 CE2 TRP A 6 -1.463 11.078 6.765 1.00 0.00 C ATOM 87 CE3 TRP A 6 -3.621 12.183 6.931 1.00 0.00 C ATOM 88 CZ2 TRP A 6 -0.832 11.988 7.621 1.00 0.00 C ATOM 89 CZ3 TRP A 6 -2.974 13.085 7.785 1.00 0.00 C ATOM 90 CH2 TRP A 6 -1.631 13.016 8.136 1.00 0.00 C ATOM 0 H TRP A 6 -2.918 10.841 3.042 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.831 10.372 3.428 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.229 9.781 5.684 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.449 8.751 4.500 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.846 8.513 4.772 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.029 9.643 6.159 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.668 12.267 6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.215 11.902 7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.560 13.891 8.200 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -1.206 13.752 8.803 1.00 0.00 H new ATOM 101 N PHE A 7 -4.039 12.985 4.019 1.00 0.00 N ATOM 102 CA PHE A 7 -4.069 14.378 4.431 1.00 0.00 C ATOM 103 C PHE A 7 -4.482 15.285 3.269 1.00 0.00 C ATOM 104 O PHE A 7 -4.141 15.018 2.118 1.00 0.00 O ATOM 105 CB PHE A 7 -2.651 14.746 4.870 1.00 0.00 C ATOM 106 CG PHE A 7 -2.421 16.250 5.037 1.00 0.00 C ATOM 107 CD1 PHE A 7 -2.657 16.845 6.237 1.00 0.00 C ATOM 108 CD2 PHE A 7 -1.980 16.991 3.985 1.00 0.00 C ATOM 109 CE1 PHE A 7 -2.444 18.240 6.391 1.00 0.00 C ATOM 110 CE2 PHE A 7 -1.767 18.386 4.140 1.00 0.00 C ATOM 111 CZ PHE A 7 -2.003 18.981 5.340 1.00 0.00 C ATOM 0 H PHE A 7 -3.196 12.707 3.517 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.792 14.512 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.434 14.249 5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.943 14.360 4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.006 16.256 7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.792 16.518 3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.632 18.713 7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.417 18.975 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.840 20.042 5.458 1.00 0.00 H new ATOM 121 N PHE A 8 -5.210 16.338 3.612 1.00 0.00 N ATOM 122 CA PHE A 8 -5.672 17.285 2.612 1.00 0.00 C ATOM 123 C PHE A 8 -5.386 18.724 3.046 1.00 0.00 C ATOM 124 O PHE A 8 -5.119 18.981 4.219 1.00 0.00 O ATOM 125 CB PHE A 8 -7.185 17.096 2.483 1.00 0.00 C ATOM 126 CG PHE A 8 -7.593 15.990 1.507 1.00 0.00 C ATOM 127 CD1 PHE A 8 -7.312 14.691 1.795 1.00 0.00 C ATOM 128 CD2 PHE A 8 -8.236 16.307 0.351 1.00 0.00 C ATOM 129 CE1 PHE A 8 -7.691 13.665 0.889 1.00 0.00 C ATOM 130 CE2 PHE A 8 -8.615 15.281 -0.555 1.00 0.00 C ATOM 131 CZ PHE A 8 -8.334 13.982 -0.266 1.00 0.00 C ATOM 0 H PHE A 8 -5.491 16.556 4.568 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.157 17.109 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.598 16.869 3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.632 18.036 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.801 14.440 2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.458 17.339 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.468 12.633 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.126 15.532 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.622 13.202 -0.955 1.00 0.00 H new ATOM 141 N LYS A 9 -5.450 19.625 2.076 1.00 0.00 N ATOM 142 CA LYS A 9 -5.201 21.031 2.343 1.00 0.00 C ATOM 143 C LYS A 9 -6.313 21.580 3.240 1.00 0.00 C ATOM 144 O LYS A 9 -7.099 20.817 3.798 1.00 0.00 O ATOM 145 CB LYS A 9 -5.029 21.803 1.034 1.00 0.00 C ATOM 146 CG LYS A 9 -3.558 22.141 0.786 1.00 0.00 C ATOM 147 CD LYS A 9 -2.847 20.998 0.058 1.00 0.00 C ATOM 148 CE LYS A 9 -1.477 21.444 -0.457 1.00 0.00 C ATOM 149 NZ LYS A 9 -1.289 21.020 -1.862 1.00 0.00 N ATOM 0 H LYS A 9 -5.671 19.408 1.104 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.263 21.156 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.414 21.210 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.616 22.721 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.486 23.054 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.061 22.336 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.727 20.151 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.460 20.657 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.389 22.528 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.691 21.017 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.354 21.330 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.352 19.984 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.028 21.447 -2.455 1.00 0.00 H new ATOM 163 N GLY A 10 -6.342 22.900 3.350 1.00 0.00 N ATOM 164 CA GLY A 10 -7.344 23.561 4.168 1.00 0.00 C ATOM 165 C GLY A 10 -8.695 23.608 3.451 1.00 0.00 C ATOM 166 O GLY A 10 -9.126 24.668 2.999 1.00 0.00 O ATOM 0 H GLY A 10 -5.687 23.530 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.450 23.034 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.017 24.574 4.402 1.00 0.00 H new ATOM 170 N ILE A 11 -9.325 22.445 3.368 1.00 0.00 N ATOM 171 CA ILE A 11 -10.618 22.340 2.713 1.00 0.00 C ATOM 172 C ILE A 11 -11.712 22.806 3.676 1.00 0.00 C ATOM 173 O ILE A 11 -11.536 22.756 4.892 1.00 0.00 O ATOM 174 CB ILE A 11 -10.833 20.923 2.176 1.00 0.00 C ATOM 175 CG1 ILE A 11 -11.613 20.948 0.860 1.00 0.00 C ATOM 176 CG2 ILE A 11 -11.506 20.036 3.225 1.00 0.00 C ATOM 177 CD1 ILE A 11 -12.150 19.557 0.515 1.00 0.00 C ATOM 0 H ILE A 11 -8.964 21.568 3.743 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.659 22.995 1.843 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.857 20.486 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.441 21.653 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.967 21.302 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.647 19.035 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.877 19.981 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.474 20.459 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.700 19.602 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.318 18.860 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.815 19.216 1.309 1.00 0.00 H new ATOM 189 N SER A 12 -12.818 23.248 3.095 1.00 0.00 N ATOM 190 CA SER A 12 -13.940 23.722 3.886 1.00 0.00 C ATOM 191 C SER A 12 -14.812 22.541 4.318 1.00 0.00 C ATOM 192 O SER A 12 -14.867 21.522 3.632 1.00 0.00 O ATOM 193 CB SER A 12 -14.774 24.739 3.105 1.00 0.00 C ATOM 194 OG SER A 12 -15.521 24.126 2.057 1.00 0.00 O ATOM 0 H SER A 12 -12.961 23.288 2.086 1.00 0.00 H new ATOM 0 HA SER A 12 -13.547 24.219 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.456 25.248 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.117 25.500 2.684 1.00 0.00 H new ATOM 0 HG SER A 12 -16.041 24.808 1.584 1.00 0.00 H new ATOM 200 N ARG A 13 -15.471 22.718 5.454 1.00 0.00 N ATOM 201 CA ARG A 13 -16.338 21.679 5.985 1.00 0.00 C ATOM 202 C ARG A 13 -17.431 21.331 4.974 1.00 0.00 C ATOM 203 O ARG A 13 -17.972 20.226 4.995 1.00 0.00 O ATOM 204 CB ARG A 13 -16.989 22.123 7.297 1.00 0.00 C ATOM 205 CG ARG A 13 -17.807 20.988 7.915 1.00 0.00 C ATOM 206 CD ARG A 13 -19.290 21.125 7.562 1.00 0.00 C ATOM 207 NE ARG A 13 -19.877 22.277 8.282 1.00 0.00 N ATOM 208 CZ ARG A 13 -20.232 22.253 9.574 1.00 0.00 C ATOM 209 NH1 ARG A 13 -20.063 21.137 10.295 1.00 0.00 N ATOM 210 NH2 ARG A 13 -20.758 23.346 10.144 1.00 0.00 N ATOM 0 H ARG A 13 -15.422 23.564 6.021 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.723 20.800 6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.219 22.445 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -17.633 22.983 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.432 20.029 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.685 20.995 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.405 21.261 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -19.821 20.211 7.827 1.00 0.00 H new ATOM 0 HE ARG A 13 -20.020 23.143 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -19.664 20.305 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -20.333 21.119 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -20.888 24.195 9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -21.028 23.328 11.127 1.00 0.00 H new ATOM 224 N LYS A 14 -17.724 22.293 4.111 1.00 0.00 N ATOM 225 CA LYS A 14 -18.743 22.101 3.093 1.00 0.00 C ATOM 226 C LYS A 14 -18.162 21.272 1.946 1.00 0.00 C ATOM 227 O LYS A 14 -18.889 20.544 1.272 1.00 0.00 O ATOM 228 CB LYS A 14 -19.316 23.449 2.649 1.00 0.00 C ATOM 229 CG LYS A 14 -20.426 23.911 3.596 1.00 0.00 C ATOM 230 CD LYS A 14 -21.793 23.846 2.912 1.00 0.00 C ATOM 231 CE LYS A 14 -22.030 25.082 2.042 1.00 0.00 C ATOM 232 NZ LYS A 14 -22.718 24.708 0.786 1.00 0.00 N ATOM 0 H LYS A 14 -17.273 23.208 4.096 1.00 0.00 H new ATOM 0 HA LYS A 14 -19.585 21.540 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -18.522 24.195 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -19.709 23.365 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -20.432 23.285 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -20.228 24.931 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -21.854 22.948 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -22.577 23.771 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.630 25.810 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.078 25.561 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -22.871 25.559 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.132 24.031 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -23.635 24.272 1.009 1.00 0.00 H new ATOM 246 N ASP A 15 -16.857 21.410 1.760 1.00 0.00 N ATOM 247 CA ASP A 15 -16.171 20.682 0.706 1.00 0.00 C ATOM 248 C ASP A 15 -15.790 19.291 1.217 1.00 0.00 C ATOM 249 O ASP A 15 -15.661 18.352 0.434 1.00 0.00 O ATOM 250 CB ASP A 15 -14.886 21.400 0.288 1.00 0.00 C ATOM 251 CG ASP A 15 -15.072 22.503 -0.756 1.00 0.00 C ATOM 252 OD1 ASP A 15 -16.191 22.579 -1.308 1.00 0.00 O ATOM 253 OD2 ASP A 15 -14.092 23.246 -0.977 1.00 0.00 O ATOM 0 H ASP A 15 -16.257 22.015 2.321 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.842 20.615 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.425 21.834 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.187 20.662 -0.106 1.00 0.00 H new ATOM 258 N ALA A 16 -15.621 19.203 2.528 1.00 0.00 N ATOM 259 CA ALA A 16 -15.257 17.943 3.153 1.00 0.00 C ATOM 260 C ALA A 16 -16.500 17.058 3.267 1.00 0.00 C ATOM 261 O ALA A 16 -16.390 15.838 3.376 1.00 0.00 O ATOM 262 CB ALA A 16 -14.608 18.215 4.512 1.00 0.00 C ATOM 0 H ALA A 16 -15.729 19.984 3.175 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.527 17.410 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.335 17.269 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.714 18.823 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.312 18.747 5.152 1.00 0.00 H new ATOM 268 N GLU A 17 -17.655 17.708 3.238 1.00 0.00 N ATOM 269 CA GLU A 17 -18.917 16.996 3.337 1.00 0.00 C ATOM 270 C GLU A 17 -19.323 16.442 1.970 1.00 0.00 C ATOM 271 O GLU A 17 -19.808 15.316 1.871 1.00 0.00 O ATOM 272 CB GLU A 17 -20.012 17.897 3.911 1.00 0.00 C ATOM 273 CG GLU A 17 -20.033 17.830 5.439 1.00 0.00 C ATOM 274 CD GLU A 17 -21.419 18.180 5.985 1.00 0.00 C ATOM 275 OE1 GLU A 17 -21.954 19.223 5.549 1.00 0.00 O ATOM 276 OE2 GLU A 17 -21.913 17.398 6.825 1.00 0.00 O ATOM 0 H GLU A 17 -17.742 18.720 3.147 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.786 16.158 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.846 18.926 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.982 17.593 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.751 16.829 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.293 18.519 5.847 1.00 0.00 H new ATOM 283 N ARG A 18 -19.110 17.260 0.949 1.00 0.00 N ATOM 284 CA ARG A 18 -19.447 16.866 -0.408 1.00 0.00 C ATOM 285 C ARG A 18 -18.401 15.893 -0.954 1.00 0.00 C ATOM 286 O ARG A 18 -18.723 15.010 -1.748 1.00 0.00 O ATOM 287 CB ARG A 18 -19.531 18.084 -1.330 1.00 0.00 C ATOM 288 CG ARG A 18 -18.144 18.686 -1.571 1.00 0.00 C ATOM 289 CD ARG A 18 -17.540 18.164 -2.876 1.00 0.00 C ATOM 290 NE ARG A 18 -16.777 19.240 -3.546 1.00 0.00 N ATOM 291 CZ ARG A 18 -17.340 20.266 -4.200 1.00 0.00 C ATOM 292 NH1 ARG A 18 -18.674 20.361 -4.275 1.00 0.00 N ATOM 293 NH2 ARG A 18 -16.568 21.197 -4.778 1.00 0.00 N ATOM 0 H ARG A 18 -18.708 18.194 1.035 1.00 0.00 H new ATOM 0 HA ARG A 18 -20.421 16.378 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.976 17.794 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -20.186 18.835 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -18.217 19.773 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -17.487 18.439 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.886 17.317 -2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.331 17.804 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.759 19.199 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.261 19.653 -3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.103 21.142 -4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.552 21.125 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.996 21.978 -5.276 1.00 0.00 H new ATOM 307 N GLN A 19 -17.169 16.086 -0.507 1.00 0.00 N ATOM 308 CA GLN A 19 -16.073 15.236 -0.941 1.00 0.00 C ATOM 309 C GLN A 19 -16.226 13.832 -0.353 1.00 0.00 C ATOM 310 O GLN A 19 -15.894 12.842 -1.004 1.00 0.00 O ATOM 311 CB GLN A 19 -14.722 15.846 -0.561 1.00 0.00 C ATOM 312 CG GLN A 19 -14.265 16.862 -1.609 1.00 0.00 C ATOM 313 CD GLN A 19 -12.849 16.548 -2.096 1.00 0.00 C ATOM 314 OE1 GLN A 19 -12.597 16.357 -3.274 1.00 0.00 O ATOM 315 NE2 GLN A 19 -11.940 16.505 -1.125 1.00 0.00 N ATOM 0 H GLN A 19 -16.905 16.819 0.152 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.106 15.159 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.799 16.331 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.977 15.057 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.954 16.854 -2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.293 17.866 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.218 16.675 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.965 16.303 -1.347 1.00 0.00 H new ATOM 324 N LEU A 20 -16.728 13.789 0.873 1.00 0.00 N ATOM 325 CA LEU A 20 -16.928 12.523 1.556 1.00 0.00 C ATOM 326 C LEU A 20 -18.217 11.873 1.049 1.00 0.00 C ATOM 327 O LEU A 20 -18.270 10.659 0.856 1.00 0.00 O ATOM 328 CB LEU A 20 -16.896 12.721 3.073 1.00 0.00 C ATOM 329 CG LEU A 20 -15.507 12.758 3.715 1.00 0.00 C ATOM 330 CD1 LEU A 20 -15.590 13.210 5.174 1.00 0.00 C ATOM 331 CD2 LEU A 20 -14.801 11.408 3.572 1.00 0.00 C ATOM 0 H LEU A 20 -17.002 14.611 1.411 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.113 11.836 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.409 13.654 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.468 11.917 3.537 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.904 13.494 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.590 13.228 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.024 14.209 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.216 12.516 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.816 11.461 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.392 10.635 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.691 11.165 2.515 1.00 0.00 H new ATOM 343 N LEU A 21 -19.224 12.710 0.846 1.00 0.00 N ATOM 344 CA LEU A 21 -20.509 12.232 0.365 1.00 0.00 C ATOM 345 C LEU A 21 -20.429 12.000 -1.145 1.00 0.00 C ATOM 346 O LEU A 21 -21.296 11.347 -1.724 1.00 0.00 O ATOM 347 CB LEU A 21 -21.627 13.189 0.781 1.00 0.00 C ATOM 348 CG LEU A 21 -22.142 13.036 2.214 1.00 0.00 C ATOM 349 CD1 LEU A 21 -22.815 14.323 2.695 1.00 0.00 C ATOM 350 CD2 LEU A 21 -23.069 11.825 2.337 1.00 0.00 C ATOM 0 H LEU A 21 -19.176 13.716 1.006 1.00 0.00 H new ATOM 0 HA LEU A 21 -20.754 11.274 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -21.271 14.211 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.466 13.055 0.098 1.00 0.00 H new ATOM 0 HG LEU A 21 -21.288 12.856 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -23.172 14.187 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -22.096 15.142 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -23.657 14.558 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -23.421 11.739 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -23.922 11.951 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -22.525 10.921 2.063 1.00 0.00 H new ATOM 362 N ALA A 22 -19.379 12.548 -1.741 1.00 0.00 N ATOM 363 CA ALA A 22 -19.174 12.409 -3.173 1.00 0.00 C ATOM 364 C ALA A 22 -19.350 10.941 -3.569 1.00 0.00 C ATOM 365 O ALA A 22 -19.305 10.055 -2.717 1.00 0.00 O ATOM 366 CB ALA A 22 -17.794 12.953 -3.546 1.00 0.00 C ATOM 0 H ALA A 22 -18.662 13.089 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.913 12.990 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.640 12.849 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -17.731 14.006 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.026 12.392 -3.013 1.00 0.00 H new ATOM 372 N PRO A 23 -19.550 10.724 -4.896 1.00 0.00 N ATOM 373 CA PRO A 23 -19.732 9.379 -5.415 1.00 0.00 C ATOM 374 C PRO A 23 -18.402 8.623 -5.457 1.00 0.00 C ATOM 375 O PRO A 23 -18.381 7.408 -5.648 1.00 0.00 O ATOM 376 CB PRO A 23 -20.350 9.568 -6.791 1.00 0.00 C ATOM 377 CG PRO A 23 -20.064 11.009 -7.181 1.00 0.00 C ATOM 378 CD PRO A 23 -19.608 11.749 -5.934 1.00 0.00 C ATOM 0 HA PRO A 23 -20.377 8.769 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -19.917 8.875 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -21.423 9.375 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -19.294 11.050 -7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -20.957 11.476 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -18.635 12.216 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -20.305 12.543 -5.668 1.00 0.00 H new ATOM 386 N GLY A 24 -17.326 9.373 -5.274 1.00 0.00 N ATOM 387 CA GLY A 24 -15.995 8.789 -5.288 1.00 0.00 C ATOM 388 C GLY A 24 -15.550 8.405 -3.875 1.00 0.00 C ATOM 389 O GLY A 24 -14.381 8.091 -3.653 1.00 0.00 O ATOM 0 H GLY A 24 -17.348 10.380 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.988 7.907 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.287 9.499 -5.716 1.00 0.00 H new ATOM 393 N ASN A 25 -16.504 8.444 -2.957 1.00 0.00 N ATOM 394 CA ASN A 25 -16.225 8.105 -1.573 1.00 0.00 C ATOM 395 C ASN A 25 -17.339 7.202 -1.038 1.00 0.00 C ATOM 396 O ASN A 25 -18.476 7.275 -1.500 1.00 0.00 O ATOM 397 CB ASN A 25 -16.172 9.359 -0.698 1.00 0.00 C ATOM 398 CG ASN A 25 -14.766 9.962 -0.687 1.00 0.00 C ATOM 399 OD1 ASN A 25 -14.513 10.762 -1.719 1.00 0.00 O flip ATOM 400 ND2 ASN A 25 -13.964 9.716 0.199 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.472 8.705 -3.145 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.260 7.600 -1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.884 10.096 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.472 9.109 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.224 9.092 0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.034 10.134 0.175 1.00 0.00 H new ATOM 407 N MET A 26 -16.972 6.372 -0.073 1.00 0.00 N ATOM 408 CA MET A 26 -17.926 5.456 0.529 1.00 0.00 C ATOM 409 C MET A 26 -17.582 5.192 1.996 1.00 0.00 C ATOM 410 O MET A 26 -16.447 5.406 2.419 1.00 0.00 O ATOM 411 CB MET A 26 -17.923 4.135 -0.243 1.00 0.00 C ATOM 412 CG MET A 26 -16.584 3.411 -0.084 1.00 0.00 C ATOM 413 SD MET A 26 -16.449 2.105 -1.293 1.00 0.00 S ATOM 414 CE MET A 26 -17.662 0.963 -0.652 1.00 0.00 C ATOM 0 H MET A 26 -16.027 6.315 0.307 1.00 0.00 H new ATOM 0 HA MET A 26 -18.916 5.910 0.484 1.00 0.00 H new ATOM 0 HB2 MET A 26 -18.730 3.497 0.117 1.00 0.00 H new ATOM 0 HB3 MET A 26 -18.114 4.326 -1.299 1.00 0.00 H new ATOM 0 HG2 MET A 26 -15.763 4.117 -0.206 1.00 0.00 H new ATOM 0 HG3 MET A 26 -16.502 2.997 0.921 1.00 0.00 H new ATOM 0 HE1 MET A 26 -17.561 0.003 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 26 -17.505 0.828 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 26 -18.662 1.360 -0.824 1.00 0.00 H new ATOM 424 N LEU A 27 -18.582 4.729 2.731 1.00 0.00 N ATOM 425 CA LEU A 27 -18.400 4.433 4.142 1.00 0.00 C ATOM 426 C LEU A 27 -17.036 3.770 4.347 1.00 0.00 C ATOM 427 O LEU A 27 -16.688 2.827 3.639 1.00 0.00 O ATOM 428 CB LEU A 27 -19.572 3.606 4.672 1.00 0.00 C ATOM 429 CG LEU A 27 -20.692 4.391 5.358 1.00 0.00 C ATOM 430 CD1 LEU A 27 -22.001 4.278 4.575 1.00 0.00 C ATOM 431 CD2 LEU A 27 -20.856 3.952 6.815 1.00 0.00 C ATOM 0 H LEU A 27 -19.522 4.551 2.376 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.400 5.352 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -20.003 3.049 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -19.183 2.873 5.379 1.00 0.00 H new ATOM 0 HG LEU A 27 -20.413 5.445 5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -22.780 4.845 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.860 4.677 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -22.297 3.231 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -21.658 4.525 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -21.101 2.891 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.925 4.127 7.355 1.00 0.00 H new ATOM 443 N GLY A 28 -16.302 4.289 5.320 1.00 0.00 N ATOM 444 CA GLY A 28 -14.984 3.759 5.627 1.00 0.00 C ATOM 445 C GLY A 28 -13.888 4.743 5.216 1.00 0.00 C ATOM 446 O GLY A 28 -12.767 4.675 5.718 1.00 0.00 O ATOM 0 H GLY A 28 -16.595 5.071 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.911 3.553 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.840 2.811 5.109 1.00 0.00 H new ATOM 450 N SER A 29 -14.249 5.636 4.306 1.00 0.00 N ATOM 451 CA SER A 29 -13.310 6.633 3.822 1.00 0.00 C ATOM 452 C SER A 29 -13.137 7.739 4.865 1.00 0.00 C ATOM 453 O SER A 29 -14.108 8.172 5.483 1.00 0.00 O ATOM 454 CB SER A 29 -13.774 7.227 2.490 1.00 0.00 C ATOM 455 OG SER A 29 -13.807 6.251 1.453 1.00 0.00 O ATOM 0 H SER A 29 -15.179 5.690 3.891 1.00 0.00 H new ATOM 0 HA SER A 29 -12.349 6.145 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.767 7.660 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.106 8.039 2.203 1.00 0.00 H new ATOM 0 HG SER A 29 -14.615 5.704 1.544 1.00 0.00 H new ATOM 461 N PHE A 30 -11.893 8.166 5.027 1.00 0.00 N ATOM 462 CA PHE A 30 -11.580 9.214 5.985 1.00 0.00 C ATOM 463 C PHE A 30 -10.641 10.254 5.371 1.00 0.00 C ATOM 464 O PHE A 30 -9.919 9.960 4.420 1.00 0.00 O ATOM 465 CB PHE A 30 -10.878 8.544 7.167 1.00 0.00 C ATOM 466 CG PHE A 30 -9.378 8.324 6.957 1.00 0.00 C ATOM 467 CD1 PHE A 30 -8.938 7.217 6.300 1.00 0.00 C ATOM 468 CD2 PHE A 30 -8.485 9.236 7.427 1.00 0.00 C ATOM 469 CE1 PHE A 30 -7.547 7.013 6.105 1.00 0.00 C ATOM 470 CE2 PHE A 30 -7.093 9.032 7.232 1.00 0.00 C ATOM 471 CZ PHE A 30 -6.653 7.925 6.575 1.00 0.00 C ATOM 0 H PHE A 30 -11.090 7.806 4.511 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.493 9.724 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.024 9.156 8.057 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.352 7.582 7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.647 6.493 5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.834 10.115 7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.198 6.134 5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.384 9.756 7.605 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.595 7.770 6.426 1.00 0.00 H new ATOM 481 N MET A 31 -10.681 11.449 5.942 1.00 0.00 N ATOM 482 CA MET A 31 -9.842 12.535 5.463 1.00 0.00 C ATOM 483 C MET A 31 -9.424 13.453 6.614 1.00 0.00 C ATOM 484 O MET A 31 -10.209 13.709 7.525 1.00 0.00 O ATOM 485 CB MET A 31 -10.606 13.346 4.414 1.00 0.00 C ATOM 486 CG MET A 31 -11.916 13.888 4.988 1.00 0.00 C ATOM 487 SD MET A 31 -12.309 15.458 4.235 1.00 0.00 S ATOM 488 CE MET A 31 -12.093 15.039 2.513 1.00 0.00 C ATOM 0 H MET A 31 -11.281 11.689 6.731 1.00 0.00 H new ATOM 0 HA MET A 31 -8.943 12.107 5.020 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.987 14.173 4.067 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.816 12.720 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 31 -12.723 13.177 4.809 1.00 0.00 H new ATOM 0 HG3 MET A 31 -11.828 14.005 6.068 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.708 15.696 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.045 15.161 2.238 1.00 0.00 H new ATOM 0 HE3 MET A 31 -12.393 14.004 2.350 1.00 0.00 H new ATOM 498 N ILE A 32 -8.189 13.924 6.533 1.00 0.00 N ATOM 499 CA ILE A 32 -7.657 14.808 7.557 1.00 0.00 C ATOM 500 C ILE A 32 -7.305 16.158 6.926 1.00 0.00 C ATOM 501 O ILE A 32 -6.676 16.208 5.870 1.00 0.00 O ATOM 502 CB ILE A 32 -6.485 14.145 8.282 1.00 0.00 C ATOM 503 CG1 ILE A 32 -6.967 12.986 9.157 1.00 0.00 C ATOM 504 CG2 ILE A 32 -5.683 15.172 9.083 1.00 0.00 C ATOM 505 CD1 ILE A 32 -5.791 12.124 9.622 1.00 0.00 C ATOM 0 H ILE A 32 -7.541 13.711 5.775 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.409 14.999 8.323 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.813 13.726 7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.501 13.377 10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.673 12.373 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.856 14.674 9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.291 15.933 8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.330 15.642 9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.161 11.308 10.242 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.274 11.715 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.099 12.735 10.202 1.00 0.00 H new ATOM 517 N ARG A 33 -7.727 17.217 7.601 1.00 0.00 N ATOM 518 CA ARG A 33 -7.464 18.563 7.120 1.00 0.00 C ATOM 519 C ARG A 33 -7.148 19.494 8.293 1.00 0.00 C ATOM 520 O ARG A 33 -7.329 19.122 9.451 1.00 0.00 O ATOM 521 CB ARG A 33 -8.664 19.116 6.348 1.00 0.00 C ATOM 522 CG ARG A 33 -9.979 18.727 7.027 1.00 0.00 C ATOM 523 CD ARG A 33 -10.922 19.928 7.124 1.00 0.00 C ATOM 524 NE ARG A 33 -12.176 19.533 7.805 1.00 0.00 N ATOM 525 CZ ARG A 33 -13.113 20.399 8.214 1.00 0.00 C ATOM 526 NH1 ARG A 33 -12.945 21.713 8.013 1.00 0.00 N ATOM 527 NH2 ARG A 33 -14.219 19.950 8.824 1.00 0.00 N ATOM 0 H ARG A 33 -8.249 17.171 8.476 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.606 18.514 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.591 20.202 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.651 18.735 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.460 17.927 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.776 18.338 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.439 20.736 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.144 20.308 6.127 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.337 18.540 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.104 22.054 7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.659 22.372 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.347 18.950 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.933 20.609 9.136 1.00 0.00 H new ATOM 541 N ASP A 34 -6.682 20.686 7.951 1.00 0.00 N ATOM 542 CA ASP A 34 -6.339 21.672 8.962 1.00 0.00 C ATOM 543 C ASP A 34 -7.444 22.727 9.034 1.00 0.00 C ATOM 544 O ASP A 34 -8.207 22.899 8.084 1.00 0.00 O ATOM 545 CB ASP A 34 -5.029 22.383 8.615 1.00 0.00 C ATOM 546 CG ASP A 34 -4.209 22.851 9.819 1.00 0.00 C ATOM 547 OD1 ASP A 34 -4.831 23.418 10.743 1.00 0.00 O ATOM 548 OD2 ASP A 34 -2.979 22.631 9.788 1.00 0.00 O ATOM 0 H ASP A 34 -6.534 20.991 6.989 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.227 21.154 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.415 21.710 8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.256 23.247 7.991 1.00 0.00 H new ATOM 553 N SER A 35 -7.496 23.407 10.170 1.00 0.00 N ATOM 554 CA SER A 35 -8.496 24.441 10.379 1.00 0.00 C ATOM 555 C SER A 35 -8.305 25.567 9.361 1.00 0.00 C ATOM 556 O SER A 35 -7.230 25.705 8.778 1.00 0.00 O ATOM 557 CB SER A 35 -8.426 24.995 11.803 1.00 0.00 C ATOM 558 OG SER A 35 -9.411 25.999 12.034 1.00 0.00 O ATOM 0 H SER A 35 -6.862 23.262 10.956 1.00 0.00 H new ATOM 0 HA SER A 35 -9.482 23.997 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.563 24.182 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.435 25.412 11.982 1.00 0.00 H new ATOM 0 HG SER A 35 -10.093 25.653 12.647 1.00 0.00 H new ATOM 564 N GLU A 36 -9.363 26.343 9.178 1.00 0.00 N ATOM 565 CA GLU A 36 -9.325 27.452 8.241 1.00 0.00 C ATOM 566 C GLU A 36 -9.271 28.782 8.995 1.00 0.00 C ATOM 567 O GLU A 36 -8.626 29.729 8.546 1.00 0.00 O ATOM 568 CB GLU A 36 -10.523 27.409 7.291 1.00 0.00 C ATOM 569 CG GLU A 36 -10.139 26.776 5.952 1.00 0.00 C ATOM 570 CD GLU A 36 -11.319 26.795 4.978 1.00 0.00 C ATOM 571 OE1 GLU A 36 -12.438 26.477 5.435 1.00 0.00 O ATOM 572 OE2 GLU A 36 -11.075 27.128 3.798 1.00 0.00 O ATOM 0 H GLU A 36 -10.252 26.225 9.663 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.422 27.361 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.333 26.840 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.897 28.419 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.297 27.315 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.811 25.749 6.112 1.00 0.00 H new ATOM 579 N THR A 37 -9.957 28.812 10.128 1.00 0.00 N ATOM 580 CA THR A 37 -9.995 30.010 10.949 1.00 0.00 C ATOM 581 C THR A 37 -9.131 29.829 12.198 1.00 0.00 C ATOM 582 O THR A 37 -8.258 30.650 12.478 1.00 0.00 O ATOM 583 CB THR A 37 -11.459 30.322 11.263 1.00 0.00 C ATOM 584 OG1 THR A 37 -11.819 29.351 12.242 1.00 0.00 O ATOM 585 CG2 THR A 37 -12.388 30.023 10.084 1.00 0.00 C ATOM 0 H THR A 37 -10.491 28.025 10.497 1.00 0.00 H new ATOM 0 HA THR A 37 -9.572 30.864 10.421 1.00 0.00 H new ATOM 0 HB THR A 37 -11.554 31.371 11.543 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.754 29.482 12.504 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.415 30.262 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.093 30.627 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.319 28.967 9.825 1.00 0.00 H new ATOM 593 N THR A 38 -9.403 28.749 12.915 1.00 0.00 N ATOM 594 CA THR A 38 -8.661 28.449 14.128 1.00 0.00 C ATOM 595 C THR A 38 -7.371 27.699 13.793 1.00 0.00 C ATOM 596 O THR A 38 -7.218 26.530 14.145 1.00 0.00 O ATOM 597 CB THR A 38 -9.586 27.676 15.070 1.00 0.00 C ATOM 598 OG1 THR A 38 -10.708 28.539 15.240 1.00 0.00 O ATOM 599 CG2 THR A 38 -9.005 27.537 16.478 1.00 0.00 C ATOM 0 H THR A 38 -10.127 28.070 12.679 1.00 0.00 H new ATOM 0 HA THR A 38 -8.347 29.362 14.634 1.00 0.00 H new ATOM 0 HB THR A 38 -9.778 26.685 14.658 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.360 28.115 15.836 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.701 26.981 17.106 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.055 27.004 16.429 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.844 28.527 16.904 1.00 0.00 H new ATOM 607 N LYS A 39 -6.475 28.401 13.115 1.00 0.00 N ATOM 608 CA LYS A 39 -5.202 27.816 12.728 1.00 0.00 C ATOM 609 C LYS A 39 -4.530 27.206 13.960 1.00 0.00 C ATOM 610 O LYS A 39 -4.798 27.621 15.086 1.00 0.00 O ATOM 611 CB LYS A 39 -4.337 28.847 12.002 1.00 0.00 C ATOM 612 CG LYS A 39 -4.139 30.099 12.860 1.00 0.00 C ATOM 613 CD LYS A 39 -2.671 30.530 12.871 1.00 0.00 C ATOM 614 CE LYS A 39 -2.540 32.033 12.620 1.00 0.00 C ATOM 615 NZ LYS A 39 -2.425 32.309 11.171 1.00 0.00 N ATOM 0 H LYS A 39 -6.605 29.370 12.824 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.356 27.006 12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.368 28.409 11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.806 29.120 11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.757 30.910 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.471 29.902 13.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.221 30.277 13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.121 29.981 12.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.407 32.553 13.027 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.664 32.419 13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.337 33.334 11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.584 31.829 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.273 31.958 10.682 1.00 0.00 H new ATOM 629 N GLY A 40 -3.670 26.232 13.704 1.00 0.00 N ATOM 630 CA GLY A 40 -2.957 25.561 14.778 1.00 0.00 C ATOM 631 C GLY A 40 -3.700 24.301 15.226 1.00 0.00 C ATOM 632 O GLY A 40 -3.120 23.431 15.873 1.00 0.00 O ATOM 0 H GLY A 40 -3.450 25.891 12.768 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.954 25.296 14.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.843 26.240 15.623 1.00 0.00 H new ATOM 636 N SER A 41 -4.973 24.242 14.863 1.00 0.00 N ATOM 637 CA SER A 41 -5.801 23.103 15.219 1.00 0.00 C ATOM 638 C SER A 41 -6.227 22.350 13.956 1.00 0.00 C ATOM 639 O SER A 41 -6.511 22.965 12.929 1.00 0.00 O ATOM 640 CB SER A 41 -7.032 23.543 16.014 1.00 0.00 C ATOM 641 OG SER A 41 -6.686 24.019 17.312 1.00 0.00 O ATOM 0 H SER A 41 -5.451 24.965 14.326 1.00 0.00 H new ATOM 0 HA SER A 41 -5.213 22.438 15.851 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.555 24.328 15.468 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.722 22.705 16.107 1.00 0.00 H new ATOM 0 HG SER A 41 -7.498 24.292 17.788 1.00 0.00 H new ATOM 647 N TYR A 42 -6.257 21.031 14.074 1.00 0.00 N ATOM 648 CA TYR A 42 -6.643 20.188 12.956 1.00 0.00 C ATOM 649 C TYR A 42 -8.070 19.665 13.130 1.00 0.00 C ATOM 650 O TYR A 42 -8.643 19.764 14.214 1.00 0.00 O ATOM 651 CB TYR A 42 -5.674 19.004 12.965 1.00 0.00 C ATOM 652 CG TYR A 42 -4.335 19.290 12.282 1.00 0.00 C ATOM 653 CD1 TYR A 42 -4.280 19.458 10.914 1.00 0.00 C ATOM 654 CD2 TYR A 42 -3.182 19.381 13.035 1.00 0.00 C ATOM 655 CE1 TYR A 42 -3.020 19.727 10.271 1.00 0.00 C ATOM 656 CE2 TYR A 42 -1.922 19.650 12.393 1.00 0.00 C ATOM 657 CZ TYR A 42 -1.903 19.810 11.042 1.00 0.00 C ATOM 658 OH TYR A 42 -0.713 20.065 10.435 1.00 0.00 O ATOM 0 H TYR A 42 -6.020 20.525 14.927 1.00 0.00 H new ATOM 0 HA TYR A 42 -6.608 20.750 12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.488 18.708 13.997 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.148 18.156 12.471 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.182 19.388 10.325 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.225 19.250 14.106 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.963 19.860 9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.012 19.723 12.971 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.002 20.098 11.109 1.00 0.00 H new ATOM 668 N SER A 43 -8.603 19.120 12.046 1.00 0.00 N ATOM 669 CA SER A 43 -9.952 18.581 12.066 1.00 0.00 C ATOM 670 C SER A 43 -10.031 17.334 11.182 1.00 0.00 C ATOM 671 O SER A 43 -9.621 17.364 10.023 1.00 0.00 O ATOM 672 CB SER A 43 -10.969 19.626 11.602 1.00 0.00 C ATOM 673 OG SER A 43 -10.821 20.860 12.297 1.00 0.00 O ATOM 0 H SER A 43 -8.125 19.040 11.149 1.00 0.00 H new ATOM 0 HA SER A 43 -10.196 18.307 13.092 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.851 19.796 10.532 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.978 19.243 11.755 1.00 0.00 H new ATOM 0 HG SER A 43 -11.487 21.501 11.971 1.00 0.00 H new ATOM 679 N LEU A 44 -10.560 16.268 11.764 1.00 0.00 N ATOM 680 CA LEU A 44 -10.698 15.014 11.043 1.00 0.00 C ATOM 681 C LEU A 44 -12.150 14.847 10.591 1.00 0.00 C ATOM 682 O LEU A 44 -13.069 15.325 11.253 1.00 0.00 O ATOM 683 CB LEU A 44 -10.180 13.850 11.891 1.00 0.00 C ATOM 684 CG LEU A 44 -10.482 12.447 11.359 1.00 0.00 C ATOM 685 CD1 LEU A 44 -9.740 12.187 10.046 1.00 0.00 C ATOM 686 CD2 LEU A 44 -10.171 11.383 12.413 1.00 0.00 C ATOM 0 H LEU A 44 -10.898 16.247 12.726 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.083 15.022 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.100 13.954 11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.605 13.937 12.891 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.549 12.385 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.972 11.183 9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.053 12.918 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.666 12.274 10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.394 10.395 12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.116 11.435 12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.781 11.559 13.299 1.00 0.00 H new ATOM 698 N SER A 45 -12.311 14.167 9.465 1.00 0.00 N ATOM 699 CA SER A 45 -13.635 13.931 8.916 1.00 0.00 C ATOM 700 C SER A 45 -13.713 12.523 8.323 1.00 0.00 C ATOM 701 O SER A 45 -12.902 12.158 7.473 1.00 0.00 O ATOM 702 CB SER A 45 -13.985 14.975 7.853 1.00 0.00 C ATOM 703 OG SER A 45 -13.488 16.268 8.191 1.00 0.00 O ATOM 0 H SER A 45 -11.546 13.772 8.918 1.00 0.00 H new ATOM 0 HA SER A 45 -14.361 14.018 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.572 14.667 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.067 15.022 7.734 1.00 0.00 H new ATOM 0 HG SER A 45 -13.731 16.906 7.488 1.00 0.00 H new ATOM 709 N VAL A 46 -14.696 11.771 8.794 1.00 0.00 N ATOM 710 CA VAL A 46 -14.890 10.411 8.321 1.00 0.00 C ATOM 711 C VAL A 46 -16.351 10.223 7.906 1.00 0.00 C ATOM 712 O VAL A 46 -17.232 10.936 8.383 1.00 0.00 O ATOM 713 CB VAL A 46 -14.440 9.415 9.392 1.00 0.00 C ATOM 714 CG1 VAL A 46 -14.300 8.007 8.807 1.00 0.00 C ATOM 715 CG2 VAL A 46 -13.135 9.868 10.048 1.00 0.00 C ATOM 0 H VAL A 46 -15.367 12.077 9.498 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.275 10.222 7.441 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.209 9.382 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.979 7.318 9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.261 7.681 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.560 8.017 8.007 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.837 9.143 10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.354 9.943 9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.282 10.841 10.516 1.00 0.00 H new ATOM 725 N ARG A 47 -16.563 9.260 7.021 1.00 0.00 N ATOM 726 CA ARG A 47 -17.901 8.969 6.537 1.00 0.00 C ATOM 727 C ARG A 47 -18.589 7.956 7.453 1.00 0.00 C ATOM 728 O ARG A 47 -17.979 6.970 7.863 1.00 0.00 O ATOM 729 CB ARG A 47 -17.863 8.414 5.111 1.00 0.00 C ATOM 730 CG ARG A 47 -19.277 8.201 4.568 1.00 0.00 C ATOM 731 CD ARG A 47 -19.377 8.650 3.109 1.00 0.00 C ATOM 732 NE ARG A 47 -20.451 7.899 2.421 1.00 0.00 N ATOM 733 CZ ARG A 47 -20.648 7.915 1.095 1.00 0.00 C ATOM 734 NH1 ARG A 47 -19.845 8.644 0.307 1.00 0.00 N ATOM 735 NH2 ARG A 47 -21.648 7.203 0.558 1.00 0.00 N ATOM 0 H ARG A 47 -15.830 8.671 6.626 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.463 9.903 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.321 9.103 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.319 7.470 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.546 7.148 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.991 8.759 5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.582 9.719 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.426 8.486 2.603 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.080 7.334 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.084 9.186 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -19.995 8.656 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.259 6.649 1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -21.798 7.215 -0.451 1.00 0.00 H new ATOM 749 N ASP A 48 -19.851 8.233 7.748 1.00 0.00 N ATOM 750 CA ASP A 48 -20.628 7.358 8.608 1.00 0.00 C ATOM 751 C ASP A 48 -22.080 7.334 8.126 1.00 0.00 C ATOM 752 O ASP A 48 -22.516 8.236 7.412 1.00 0.00 O ATOM 753 CB ASP A 48 -20.619 7.856 10.055 1.00 0.00 C ATOM 754 CG ASP A 48 -21.041 6.821 11.099 1.00 0.00 C ATOM 755 OD1 ASP A 48 -21.005 5.620 10.754 1.00 0.00 O ATOM 756 OD2 ASP A 48 -21.391 7.254 12.218 1.00 0.00 O ATOM 0 H ASP A 48 -20.354 9.052 7.406 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.183 6.364 8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -19.615 8.205 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.283 8.717 10.131 1.00 0.00 H new ATOM 761 N TYR A 49 -22.789 6.292 8.536 1.00 0.00 N ATOM 762 CA TYR A 49 -24.183 6.139 8.155 1.00 0.00 C ATOM 763 C TYR A 49 -25.041 5.748 9.359 1.00 0.00 C ATOM 764 O TYR A 49 -24.522 5.266 10.365 1.00 0.00 O ATOM 765 CB TYR A 49 -24.217 5.005 7.129 1.00 0.00 C ATOM 766 CG TYR A 49 -25.531 4.910 6.350 1.00 0.00 C ATOM 767 CD1 TYR A 49 -26.633 4.313 6.927 1.00 0.00 C ATOM 768 CD2 TYR A 49 -25.613 5.420 5.071 1.00 0.00 C ATOM 769 CE1 TYR A 49 -27.870 4.223 6.194 1.00 0.00 C ATOM 770 CE2 TYR A 49 -26.849 5.331 4.338 1.00 0.00 C ATOM 771 CZ TYR A 49 -27.917 4.737 4.936 1.00 0.00 C ATOM 772 OH TYR A 49 -29.084 4.652 4.243 1.00 0.00 O ATOM 0 H TYR A 49 -22.424 5.546 9.128 1.00 0.00 H new ATOM 0 HA TYR A 49 -24.577 7.074 7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -23.397 5.142 6.424 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -24.041 4.059 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -26.568 3.913 7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -24.750 5.886 4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -28.740 3.758 6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -26.927 5.727 3.336 1.00 0.00 H new ATOM 0 HH TYR A 49 -28.971 5.061 3.360 1.00 0.00 H new ATOM 782 N ASP A 50 -26.340 5.969 9.217 1.00 0.00 N ATOM 783 CA ASP A 50 -27.275 5.645 10.282 1.00 0.00 C ATOM 784 C ASP A 50 -28.515 4.981 9.680 1.00 0.00 C ATOM 785 O ASP A 50 -28.950 5.344 8.589 1.00 0.00 O ATOM 786 CB ASP A 50 -27.726 6.906 11.021 1.00 0.00 C ATOM 787 CG ASP A 50 -26.867 7.291 12.227 1.00 0.00 C ATOM 788 OD1 ASP A 50 -26.227 6.373 12.784 1.00 0.00 O ATOM 789 OD2 ASP A 50 -26.869 8.494 12.565 1.00 0.00 O ATOM 0 H ASP A 50 -26.767 6.368 8.381 1.00 0.00 H new ATOM 0 HA ASP A 50 -26.772 4.978 10.982 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -27.732 7.739 10.318 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -28.754 6.765 11.356 1.00 0.00 H new ATOM 794 N PRO A 51 -29.063 3.994 10.439 1.00 0.00 N ATOM 795 CA PRO A 51 -30.244 3.275 9.992 1.00 0.00 C ATOM 796 C PRO A 51 -31.499 4.136 10.144 1.00 0.00 C ATOM 797 O PRO A 51 -32.595 3.713 9.778 1.00 0.00 O ATOM 798 CB PRO A 51 -30.282 2.015 10.841 1.00 0.00 C ATOM 799 CG PRO A 51 -29.393 2.294 12.042 1.00 0.00 C ATOM 800 CD PRO A 51 -28.574 3.537 11.736 1.00 0.00 C ATOM 0 HA PRO A 51 -30.208 3.024 8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -31.301 1.786 11.154 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -29.920 1.154 10.279 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -29.997 2.445 12.937 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -28.739 1.445 12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -28.711 4.300 12.502 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -27.509 3.310 11.700 1.00 0.00 H new ATOM 808 N ARG A 52 -31.298 5.329 10.684 1.00 0.00 N ATOM 809 CA ARG A 52 -32.400 6.254 10.889 1.00 0.00 C ATOM 810 C ARG A 52 -32.329 7.398 9.875 1.00 0.00 C ATOM 811 O ARG A 52 -33.260 7.602 9.098 1.00 0.00 O ATOM 812 CB ARG A 52 -32.378 6.833 12.305 1.00 0.00 C ATOM 813 CG ARG A 52 -33.004 5.860 13.305 1.00 0.00 C ATOM 814 CD ARG A 52 -32.003 5.478 14.398 1.00 0.00 C ATOM 815 NE ARG A 52 -32.274 6.256 15.628 1.00 0.00 N ATOM 816 CZ ARG A 52 -31.625 6.080 16.786 1.00 0.00 C ATOM 817 NH1 ARG A 52 -30.663 5.152 16.881 1.00 0.00 N ATOM 818 NH2 ARG A 52 -31.938 6.831 17.851 1.00 0.00 N ATOM 0 H ARG A 52 -30.388 5.677 10.986 1.00 0.00 H new ATOM 0 HA ARG A 52 -33.328 5.699 10.751 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -31.350 7.049 12.597 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -32.920 7.778 12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -33.886 6.314 13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -33.339 4.963 12.784 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -32.073 4.411 14.610 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -30.986 5.668 14.054 1.00 0.00 H new ATOM 0 HE ARG A 52 -33.001 6.971 15.591 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -30.425 4.579 16.071 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -30.169 5.018 17.763 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -32.671 7.537 17.780 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -31.443 6.697 18.733 1.00 0.00 H new ATOM 832 N GLN A 53 -31.215 8.114 9.918 1.00 0.00 N ATOM 833 CA GLN A 53 -31.010 9.233 9.013 1.00 0.00 C ATOM 834 C GLN A 53 -30.563 8.729 7.639 1.00 0.00 C ATOM 835 O GLN A 53 -31.232 8.973 6.636 1.00 0.00 O ATOM 836 CB GLN A 53 -29.998 10.225 9.589 1.00 0.00 C ATOM 837 CG GLN A 53 -30.598 11.000 10.763 1.00 0.00 C ATOM 838 CD GLN A 53 -30.213 12.480 10.698 1.00 0.00 C ATOM 839 OE1 GLN A 53 -29.091 12.869 10.982 1.00 0.00 O ATOM 840 NE2 GLN A 53 -31.201 13.280 10.310 1.00 0.00 N ATOM 0 H GLN A 53 -30.445 7.941 10.565 1.00 0.00 H new ATOM 0 HA GLN A 53 -31.958 9.758 8.895 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -29.107 9.691 9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -29.683 10.921 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -31.684 10.902 10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -30.250 10.571 11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -32.116 12.889 10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -31.044 14.285 10.235 1.00 0.00 H new ATOM 849 N GLY A 54 -29.434 8.035 7.637 1.00 0.00 N ATOM 850 CA GLY A 54 -28.889 7.495 6.403 1.00 0.00 C ATOM 851 C GLY A 54 -27.410 7.855 6.253 1.00 0.00 C ATOM 852 O GLY A 54 -26.587 7.472 7.082 1.00 0.00 O ATOM 0 H GLY A 54 -28.882 7.834 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -29.006 6.411 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -29.450 7.884 5.553 1.00 0.00 H new ATOM 856 N ASP A 55 -27.118 8.587 5.187 1.00 0.00 N ATOM 857 CA ASP A 55 -25.752 9.003 4.917 1.00 0.00 C ATOM 858 C ASP A 55 -25.394 10.181 5.825 1.00 0.00 C ATOM 859 O ASP A 55 -26.139 11.156 5.906 1.00 0.00 O ATOM 860 CB ASP A 55 -25.592 9.459 3.466 1.00 0.00 C ATOM 861 CG ASP A 55 -25.814 8.367 2.417 1.00 0.00 C ATOM 862 OD1 ASP A 55 -25.207 7.287 2.585 1.00 0.00 O ATOM 863 OD2 ASP A 55 -26.585 8.637 1.471 1.00 0.00 O ATOM 0 H ASP A 55 -27.804 8.902 4.501 1.00 0.00 H new ATOM 0 HA ASP A 55 -25.097 8.151 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -26.293 10.272 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -24.589 9.867 3.338 1.00 0.00 H new ATOM 868 N THR A 56 -24.252 10.052 6.485 1.00 0.00 N ATOM 869 CA THR A 56 -23.786 11.094 7.384 1.00 0.00 C ATOM 870 C THR A 56 -22.260 11.200 7.332 1.00 0.00 C ATOM 871 O THR A 56 -21.595 10.349 6.744 1.00 0.00 O ATOM 872 CB THR A 56 -24.326 10.789 8.783 1.00 0.00 C ATOM 873 OG1 THR A 56 -23.512 9.713 9.242 1.00 0.00 O ATOM 874 CG2 THR A 56 -25.737 10.200 8.750 1.00 0.00 C ATOM 0 H THR A 56 -23.636 9.242 6.415 1.00 0.00 H new ATOM 0 HA THR A 56 -24.160 12.072 7.082 1.00 0.00 H new ATOM 0 HB THR A 56 -24.327 11.702 9.379 1.00 0.00 H new ATOM 0 HG1 THR A 56 -23.441 9.034 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 56 -26.073 10.002 9.768 1.00 0.00 H new ATOM 0 HG22 THR A 56 -26.416 10.908 8.275 1.00 0.00 H new ATOM 0 HG23 THR A 56 -25.730 9.269 8.183 1.00 0.00 H new ATOM 882 N VAL A 57 -21.751 12.254 7.954 1.00 0.00 N ATOM 883 CA VAL A 57 -20.316 12.482 7.985 1.00 0.00 C ATOM 884 C VAL A 57 -19.913 12.972 9.377 1.00 0.00 C ATOM 885 O VAL A 57 -20.397 14.003 9.841 1.00 0.00 O ATOM 886 CB VAL A 57 -19.916 13.452 6.871 1.00 0.00 C ATOM 887 CG1 VAL A 57 -18.404 13.427 6.640 1.00 0.00 C ATOM 888 CG2 VAL A 57 -20.674 13.145 5.578 1.00 0.00 C ATOM 0 H VAL A 57 -22.306 12.959 8.440 1.00 0.00 H new ATOM 0 HA VAL A 57 -19.777 11.553 7.798 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.190 14.458 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.146 14.125 5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.891 13.717 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -18.096 12.421 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.371 13.849 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.446 12.129 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.746 13.238 5.754 1.00 0.00 H new ATOM 898 N LYS A 58 -19.030 12.209 10.005 1.00 0.00 N ATOM 899 CA LYS A 58 -18.556 12.552 11.335 1.00 0.00 C ATOM 900 C LYS A 58 -17.314 13.438 11.216 1.00 0.00 C ATOM 901 O LYS A 58 -16.565 13.337 10.246 1.00 0.00 O ATOM 902 CB LYS A 58 -18.331 11.287 12.167 1.00 0.00 C ATOM 903 CG LYS A 58 -19.659 10.722 12.675 1.00 0.00 C ATOM 904 CD LYS A 58 -20.077 11.396 13.984 1.00 0.00 C ATOM 905 CE LYS A 58 -20.027 10.406 15.150 1.00 0.00 C ATOM 906 NZ LYS A 58 -21.099 10.701 16.126 1.00 0.00 N ATOM 0 H LYS A 58 -18.630 11.354 9.617 1.00 0.00 H new ATOM 0 HA LYS A 58 -19.310 13.128 11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.819 10.537 11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.681 11.514 13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.433 10.870 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.566 9.647 12.829 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.418 12.239 14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.086 11.797 13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.138 9.388 14.776 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.055 10.461 15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.051 10.020 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.976 11.665 16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.025 10.625 15.658 1.00 0.00 H new ATOM 920 N HIS A 59 -17.135 14.287 12.218 1.00 0.00 N ATOM 921 CA HIS A 59 -15.997 15.190 12.238 1.00 0.00 C ATOM 922 C HIS A 59 -15.477 15.329 13.670 1.00 0.00 C ATOM 923 O HIS A 59 -16.190 15.812 14.549 1.00 0.00 O ATOM 924 CB HIS A 59 -16.360 16.536 11.605 1.00 0.00 C ATOM 925 CG HIS A 59 -17.158 16.419 10.329 1.00 0.00 C ATOM 926 ND1 HIS A 59 -16.637 16.739 9.087 1.00 0.00 N ATOM 927 CD2 HIS A 59 -18.442 16.013 10.114 1.00 0.00 C ATOM 928 CE1 HIS A 59 -17.574 16.533 8.174 1.00 0.00 C ATOM 929 NE2 HIS A 59 -18.693 16.083 8.813 1.00 0.00 N ATOM 0 H HIS A 59 -17.759 14.368 13.021 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.189 14.776 11.634 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.930 17.123 12.325 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -15.443 17.088 11.399 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -15.692 17.076 8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -19.137 15.689 10.874 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.471 16.693 7.111 1.00 0.00 H new ATOM 937 N TYR A 60 -14.239 14.898 13.860 1.00 0.00 N ATOM 938 CA TYR A 60 -13.615 14.968 15.171 1.00 0.00 C ATOM 939 C TYR A 60 -12.482 15.996 15.184 1.00 0.00 C ATOM 940 O TYR A 60 -11.589 15.952 14.340 1.00 0.00 O ATOM 941 CB TYR A 60 -13.031 13.579 15.435 1.00 0.00 C ATOM 942 CG TYR A 60 -14.002 12.431 15.150 1.00 0.00 C ATOM 943 CD1 TYR A 60 -14.957 12.088 16.085 1.00 0.00 C ATOM 944 CD2 TYR A 60 -13.922 11.739 13.959 1.00 0.00 C ATOM 945 CE1 TYR A 60 -15.871 11.007 15.817 1.00 0.00 C ATOM 946 CE2 TYR A 60 -14.836 10.659 13.691 1.00 0.00 C ATOM 947 CZ TYR A 60 -15.765 10.346 14.634 1.00 0.00 C ATOM 948 OH TYR A 60 -16.628 9.326 14.381 1.00 0.00 O ATOM 0 H TYR A 60 -13.651 14.499 13.128 1.00 0.00 H new ATOM 0 HA TYR A 60 -14.342 15.266 15.927 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.140 13.448 14.821 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -12.712 13.522 16.476 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -15.019 12.630 17.017 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.174 12.007 13.228 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -16.623 10.728 16.540 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.785 10.110 12.762 1.00 0.00 H new ATOM 0 HH TYR A 60 -16.436 8.946 13.498 1.00 0.00 H new ATOM 958 N LYS A 61 -12.555 16.897 16.153 1.00 0.00 N ATOM 959 CA LYS A 61 -11.547 17.934 16.288 1.00 0.00 C ATOM 960 C LYS A 61 -10.249 17.313 16.808 1.00 0.00 C ATOM 961 O LYS A 61 -10.280 16.381 17.610 1.00 0.00 O ATOM 962 CB LYS A 61 -12.070 19.081 17.154 1.00 0.00 C ATOM 963 CG LYS A 61 -12.169 18.659 18.622 1.00 0.00 C ATOM 964 CD LYS A 61 -11.328 19.573 19.514 1.00 0.00 C ATOM 965 CE LYS A 61 -12.043 19.860 20.835 1.00 0.00 C ATOM 966 NZ LYS A 61 -12.585 21.237 20.842 1.00 0.00 N ATOM 0 H LYS A 61 -13.297 16.930 16.852 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.323 18.376 15.317 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.407 19.941 17.063 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.050 19.395 16.795 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.210 18.690 18.943 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.832 17.628 18.731 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.363 19.106 19.713 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.127 20.510 18.994 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.852 19.144 20.981 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.350 19.731 21.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.008 21.439 21.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.817 21.913 20.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.312 21.328 20.104 1.00 0.00 H new ATOM 980 N ILE A 62 -9.138 17.855 16.330 1.00 0.00 N ATOM 981 CA ILE A 62 -7.832 17.365 16.737 1.00 0.00 C ATOM 982 C ILE A 62 -7.089 18.472 17.489 1.00 0.00 C ATOM 983 O ILE A 62 -6.599 19.421 16.878 1.00 0.00 O ATOM 984 CB ILE A 62 -7.065 16.818 15.532 1.00 0.00 C ATOM 985 CG1 ILE A 62 -7.697 15.522 15.022 1.00 0.00 C ATOM 986 CG2 ILE A 62 -5.581 16.642 15.860 1.00 0.00 C ATOM 987 CD1 ILE A 62 -7.428 15.331 13.528 1.00 0.00 C ATOM 0 H ILE A 62 -9.116 18.628 15.665 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.937 16.526 17.425 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.132 17.548 14.725 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.297 14.675 15.578 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.772 15.542 15.202 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.059 16.252 14.986 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.153 17.605 16.138 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.472 15.943 16.690 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.888 14.402 13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.851 16.168 12.972 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.353 15.287 13.355 1.00 0.00 H new ATOM 999 N ARG A 63 -7.028 18.313 18.803 1.00 0.00 N ATOM 1000 CA ARG A 63 -6.353 19.287 19.643 1.00 0.00 C ATOM 1001 C ARG A 63 -4.898 18.872 19.873 1.00 0.00 C ATOM 1002 O ARG A 63 -4.550 17.703 19.717 1.00 0.00 O ATOM 1003 CB ARG A 63 -7.055 19.428 20.996 1.00 0.00 C ATOM 1004 CG ARG A 63 -8.334 20.257 20.865 1.00 0.00 C ATOM 1005 CD ARG A 63 -8.164 21.633 21.511 1.00 0.00 C ATOM 1006 NE ARG A 63 -9.473 22.136 21.985 1.00 0.00 N ATOM 1007 CZ ARG A 63 -9.653 23.329 22.567 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -8.610 24.150 22.751 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -10.877 23.702 22.965 1.00 0.00 N ATOM 0 H ARG A 63 -7.435 17.525 19.306 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.384 20.247 19.128 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.296 18.441 21.390 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.382 19.901 21.711 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.589 20.375 19.812 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.163 19.730 21.337 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.466 21.568 22.346 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.736 22.331 20.792 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.289 21.537 21.861 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.678 23.867 22.448 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.748 25.058 23.194 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.671 23.078 22.825 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.014 24.610 23.408 1.00 0.00 H new ATOM 1023 N THR A 64 -4.087 19.854 20.239 1.00 0.00 N ATOM 1024 CA THR A 64 -2.678 19.606 20.491 1.00 0.00 C ATOM 1025 C THR A 64 -2.360 19.795 21.975 1.00 0.00 C ATOM 1026 O THR A 64 -3.065 20.519 22.677 1.00 0.00 O ATOM 1027 CB THR A 64 -1.865 20.522 19.574 1.00 0.00 C ATOM 1028 OG1 THR A 64 -2.275 21.836 19.944 1.00 0.00 O ATOM 1029 CG2 THR A 64 -2.280 20.401 18.107 1.00 0.00 C ATOM 0 H THR A 64 -4.379 20.823 20.367 1.00 0.00 H new ATOM 0 HA THR A 64 -2.411 18.574 20.263 1.00 0.00 H new ATOM 0 HB THR A 64 -0.806 20.285 19.671 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.795 22.494 19.399 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.672 21.072 17.500 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.133 19.375 17.771 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.331 20.670 18.003 1.00 0.00 H new ATOM 1037 N LEU A 65 -1.299 19.131 22.410 1.00 0.00 N ATOM 1038 CA LEU A 65 -0.879 19.217 23.798 1.00 0.00 C ATOM 1039 C LEU A 65 0.220 20.273 23.930 1.00 0.00 C ATOM 1040 O LEU A 65 1.003 20.479 23.004 1.00 0.00 O ATOM 1041 CB LEU A 65 -0.473 17.838 24.321 1.00 0.00 C ATOM 1042 CG LEU A 65 -1.583 16.787 24.375 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -1.013 15.378 24.201 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -2.403 16.920 25.660 1.00 0.00 C ATOM 0 H LEU A 65 -0.718 18.531 21.825 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.708 19.540 24.427 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.332 17.456 23.693 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.064 17.958 25.324 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.262 16.964 23.541 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.823 14.650 24.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.510 15.306 23.237 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.299 15.173 24.999 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.185 16.161 25.673 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.751 16.784 26.523 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.857 17.910 25.701 1.00 0.00 H new ATOM 1056 N ASP A 66 0.244 20.915 25.089 1.00 0.00 N ATOM 1057 CA ASP A 66 1.234 21.945 25.354 1.00 0.00 C ATOM 1058 C ASP A 66 2.630 21.392 25.058 1.00 0.00 C ATOM 1059 O ASP A 66 3.456 22.074 24.454 1.00 0.00 O ATOM 1060 CB ASP A 66 1.199 22.379 26.821 1.00 0.00 C ATOM 1061 CG ASP A 66 0.131 23.421 27.161 1.00 0.00 C ATOM 1062 OD1 ASP A 66 -0.747 23.636 26.298 1.00 0.00 O ATOM 1063 OD2 ASP A 66 0.217 23.978 28.277 1.00 0.00 O ATOM 0 H ASP A 66 -0.407 20.742 25.855 1.00 0.00 H new ATOM 0 HA ASP A 66 1.008 22.802 24.719 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.036 21.498 27.441 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.176 22.781 27.089 1.00 0.00 H new ATOM 1068 N ASN A 67 2.850 20.162 25.498 1.00 0.00 N ATOM 1069 CA ASN A 67 4.131 19.510 25.288 1.00 0.00 C ATOM 1070 C ASN A 67 3.897 18.051 24.891 1.00 0.00 C ATOM 1071 O ASN A 67 4.272 17.137 25.624 1.00 0.00 O ATOM 1072 CB ASN A 67 4.972 19.523 26.566 1.00 0.00 C ATOM 1073 CG ASN A 67 4.176 18.975 27.752 1.00 0.00 C ATOM 1074 OD1 ASN A 67 4.132 17.782 28.005 1.00 0.00 O ATOM 1075 ND2 ASN A 67 3.550 19.910 28.461 1.00 0.00 N ATOM 0 H ASN A 67 2.162 19.600 25.999 1.00 0.00 H new ATOM 0 HA ASN A 67 4.660 20.051 24.503 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.871 18.925 26.420 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.297 20.541 26.781 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.991 19.646 29.272 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.629 20.891 28.194 1.00 0.00 H new ATOM 1082 N GLY A 68 3.279 17.878 23.732 1.00 0.00 N ATOM 1083 CA GLY A 68 2.990 16.545 23.229 1.00 0.00 C ATOM 1084 C GLY A 68 2.798 16.562 21.711 1.00 0.00 C ATOM 1085 O GLY A 68 3.667 17.029 20.977 1.00 0.00 O ATOM 0 H GLY A 68 2.970 18.639 23.126 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.805 15.870 23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.091 16.158 23.709 1.00 0.00 H new ATOM 1089 N GLY A 69 1.653 16.046 21.286 1.00 0.00 N ATOM 1090 CA GLY A 69 1.336 15.996 19.869 1.00 0.00 C ATOM 1091 C GLY A 69 -0.125 16.378 19.621 1.00 0.00 C ATOM 1092 O GLY A 69 -0.533 17.503 19.906 1.00 0.00 O ATOM 0 H GLY A 69 0.934 15.659 21.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.991 16.674 19.322 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.524 14.993 19.486 1.00 0.00 H new ATOM 1096 N PHE A 70 -0.872 15.420 19.093 1.00 0.00 N ATOM 1097 CA PHE A 70 -2.279 15.642 18.803 1.00 0.00 C ATOM 1098 C PHE A 70 -3.139 14.506 19.361 1.00 0.00 C ATOM 1099 O PHE A 70 -2.784 13.335 19.238 1.00 0.00 O ATOM 1100 CB PHE A 70 -2.422 15.673 17.280 1.00 0.00 C ATOM 1101 CG PHE A 70 -1.484 16.663 16.587 1.00 0.00 C ATOM 1102 CD1 PHE A 70 -0.192 16.317 16.340 1.00 0.00 C ATOM 1103 CD2 PHE A 70 -1.942 17.890 16.218 1.00 0.00 C ATOM 1104 CE1 PHE A 70 0.679 17.236 15.696 1.00 0.00 C ATOM 1105 CE2 PHE A 70 -1.071 18.809 15.575 1.00 0.00 C ATOM 1106 CZ PHE A 70 0.220 18.463 15.327 1.00 0.00 C ATOM 0 H PHE A 70 -0.530 14.488 18.858 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.612 16.573 19.262 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.233 14.674 16.887 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.452 15.926 17.027 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.172 15.343 16.634 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.968 18.165 16.414 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.705 16.961 15.499 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.434 19.783 15.283 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.882 19.162 14.837 1.00 0.00 H new ATOM 1116 N TYR A 71 -4.254 14.893 19.962 1.00 0.00 N ATOM 1117 CA TYR A 71 -5.168 13.922 20.540 1.00 0.00 C ATOM 1118 C TYR A 71 -6.621 14.273 20.212 1.00 0.00 C ATOM 1119 O TYR A 71 -6.964 15.447 20.078 1.00 0.00 O ATOM 1120 CB TYR A 71 -4.967 14.001 22.054 1.00 0.00 C ATOM 1121 CG TYR A 71 -5.521 15.278 22.690 1.00 0.00 C ATOM 1122 CD1 TYR A 71 -4.802 16.453 22.618 1.00 0.00 C ATOM 1123 CD2 TYR A 71 -6.742 15.254 23.334 1.00 0.00 C ATOM 1124 CE1 TYR A 71 -5.324 17.655 23.216 1.00 0.00 C ATOM 1125 CE2 TYR A 71 -7.264 16.455 23.932 1.00 0.00 C ATOM 1126 CZ TYR A 71 -6.529 17.596 23.844 1.00 0.00 C ATOM 1127 OH TYR A 71 -7.022 18.731 24.409 1.00 0.00 O ATOM 0 H TYR A 71 -4.546 15.865 20.061 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.970 12.926 20.143 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.445 13.139 22.519 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.901 13.931 22.273 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.847 16.472 22.113 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.305 14.334 23.389 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.771 18.582 23.167 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.218 16.450 24.439 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.891 18.541 24.821 1.00 0.00 H new ATOM 1137 N ILE A 72 -7.435 13.235 20.091 1.00 0.00 N ATOM 1138 CA ILE A 72 -8.842 13.419 19.781 1.00 0.00 C ATOM 1139 C ILE A 72 -9.677 13.136 21.032 1.00 0.00 C ATOM 1140 O ILE A 72 -10.575 13.905 21.370 1.00 0.00 O ATOM 1141 CB ILE A 72 -9.240 12.570 18.572 1.00 0.00 C ATOM 1142 CG1 ILE A 72 -8.380 12.915 17.354 1.00 0.00 C ATOM 1143 CG2 ILE A 72 -10.735 12.706 18.275 1.00 0.00 C ATOM 1144 CD1 ILE A 72 -8.983 12.332 16.074 1.00 0.00 C ATOM 0 H ILE A 72 -7.147 12.263 20.202 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.036 14.452 19.494 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.054 11.523 18.813 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.294 13.998 17.260 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.371 12.527 17.495 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.992 12.093 17.411 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.309 12.374 19.140 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.970 13.749 18.062 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.353 12.592 15.224 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.045 11.247 16.162 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.982 12.741 15.923 1.00 0.00 H new ATOM 1156 N SER A 73 -9.350 12.030 21.685 1.00 0.00 N ATOM 1157 CA SER A 73 -10.058 11.636 22.891 1.00 0.00 C ATOM 1158 C SER A 73 -9.096 11.619 24.081 1.00 0.00 C ATOM 1159 O SER A 73 -7.914 11.320 23.923 1.00 0.00 O ATOM 1160 CB SER A 73 -10.716 10.266 22.720 1.00 0.00 C ATOM 1161 OG SER A 73 -11.196 9.747 23.957 1.00 0.00 O ATOM 0 H SER A 73 -8.604 11.395 21.401 1.00 0.00 H new ATOM 0 HA SER A 73 -10.845 12.366 23.080 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.543 10.347 22.015 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.997 9.569 22.289 1.00 0.00 H new ATOM 0 HG SER A 73 -11.611 8.872 23.806 1.00 0.00 H new ATOM 1167 N PRO A 74 -9.654 11.952 25.276 1.00 0.00 N ATOM 1168 CA PRO A 74 -8.859 11.978 26.491 1.00 0.00 C ATOM 1169 C PRO A 74 -8.565 10.559 26.984 1.00 0.00 C ATOM 1170 O PRO A 74 -8.879 10.217 28.123 1.00 0.00 O ATOM 1171 CB PRO A 74 -9.677 12.792 27.480 1.00 0.00 C ATOM 1172 CG PRO A 74 -11.098 12.799 26.939 1.00 0.00 C ATOM 1173 CD PRO A 74 -11.051 12.312 25.500 1.00 0.00 C ATOM 0 HA PRO A 74 -7.877 12.428 26.341 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.640 12.349 28.475 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.287 13.806 27.568 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.738 12.153 27.540 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.521 13.803 26.989 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.709 11.456 25.350 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.375 13.089 24.808 1.00 0.00 H new ATOM 1181 N ARG A 75 -7.967 9.772 26.102 1.00 0.00 N ATOM 1182 CA ARG A 75 -7.627 8.399 26.433 1.00 0.00 C ATOM 1183 C ARG A 75 -6.242 8.048 25.886 1.00 0.00 C ATOM 1184 O ARG A 75 -5.314 7.796 26.653 1.00 0.00 O ATOM 1185 CB ARG A 75 -8.657 7.424 25.860 1.00 0.00 C ATOM 1186 CG ARG A 75 -10.064 7.752 26.364 1.00 0.00 C ATOM 1187 CD ARG A 75 -10.351 7.043 27.689 1.00 0.00 C ATOM 1188 NE ARG A 75 -11.808 6.833 27.845 1.00 0.00 N ATOM 1189 CZ ARG A 75 -12.352 5.911 28.651 1.00 0.00 C ATOM 1190 NH1 ARG A 75 -11.563 5.109 29.379 1.00 0.00 N ATOM 1191 NH2 ARG A 75 -13.684 5.792 28.729 1.00 0.00 N ATOM 0 H ARG A 75 -7.709 10.059 25.158 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.625 8.310 27.519 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.638 7.468 24.771 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.394 6.405 26.143 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.165 8.829 26.495 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.800 7.450 25.619 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.832 6.085 27.718 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.970 7.638 28.519 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.437 7.427 27.305 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.549 5.201 29.319 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.977 4.407 29.993 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.284 6.403 28.175 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.098 5.090 29.342 1.00 0.00 H new ATOM 1205 N SER A 76 -6.147 8.042 24.565 1.00 0.00 N ATOM 1206 CA SER A 76 -4.891 7.725 23.907 1.00 0.00 C ATOM 1207 C SER A 76 -4.478 8.876 22.987 1.00 0.00 C ATOM 1208 O SER A 76 -5.222 9.249 22.081 1.00 0.00 O ATOM 1209 CB SER A 76 -4.999 6.423 23.111 1.00 0.00 C ATOM 1210 OG SER A 76 -4.705 5.282 23.912 1.00 0.00 O ATOM 0 H SER A 76 -6.919 8.252 23.932 1.00 0.00 H new ATOM 0 HA SER A 76 -4.128 7.588 24.674 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.005 6.330 22.703 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.314 6.458 22.264 1.00 0.00 H new ATOM 0 HG SER A 76 -4.787 4.471 23.368 1.00 0.00 H new ATOM 1216 N THR A 77 -3.293 9.407 23.252 1.00 0.00 N ATOM 1217 CA THR A 77 -2.772 10.508 22.460 1.00 0.00 C ATOM 1218 C THR A 77 -1.678 10.012 21.512 1.00 0.00 C ATOM 1219 O THR A 77 -1.195 8.889 21.649 1.00 0.00 O ATOM 1220 CB THR A 77 -2.295 11.598 23.421 1.00 0.00 C ATOM 1221 OG1 THR A 77 -1.268 10.967 24.181 1.00 0.00 O ATOM 1222 CG2 THR A 77 -3.356 11.966 24.461 1.00 0.00 C ATOM 0 H THR A 77 -2.679 9.095 24.004 1.00 0.00 H new ATOM 0 HA THR A 77 -3.544 10.935 21.820 1.00 0.00 H new ATOM 0 HB THR A 77 -2.019 12.487 22.853 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.902 11.605 24.829 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.967 12.744 25.118 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.250 12.332 23.955 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.608 11.085 25.051 1.00 0.00 H new ATOM 1230 N PHE A 78 -1.318 10.874 20.573 1.00 0.00 N ATOM 1231 CA PHE A 78 -0.289 10.538 19.603 1.00 0.00 C ATOM 1232 C PHE A 78 0.611 11.742 19.319 1.00 0.00 C ATOM 1233 O PHE A 78 0.129 12.867 19.200 1.00 0.00 O ATOM 1234 CB PHE A 78 -1.006 10.136 18.312 1.00 0.00 C ATOM 1235 CG PHE A 78 -2.146 9.137 18.519 1.00 0.00 C ATOM 1236 CD1 PHE A 78 -3.296 9.533 19.128 1.00 0.00 C ATOM 1237 CD2 PHE A 78 -2.010 7.852 18.093 1.00 0.00 C ATOM 1238 CE1 PHE A 78 -4.354 8.606 19.319 1.00 0.00 C ATOM 1239 CE2 PHE A 78 -3.069 6.925 18.285 1.00 0.00 C ATOM 1240 CZ PHE A 78 -4.218 7.322 18.894 1.00 0.00 C ATOM 0 H PHE A 78 -1.720 11.805 20.463 1.00 0.00 H new ATOM 0 HA PHE A 78 0.337 9.733 19.988 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.404 11.032 17.835 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.279 9.705 17.624 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.404 10.553 19.466 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.097 7.537 17.609 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.267 8.921 19.802 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.962 5.905 17.947 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.023 6.617 19.040 1.00 0.00 H new ATOM 1250 N SER A 79 1.903 11.464 19.219 1.00 0.00 N ATOM 1251 CA SER A 79 2.875 12.510 18.951 1.00 0.00 C ATOM 1252 C SER A 79 2.761 12.970 17.496 1.00 0.00 C ATOM 1253 O SER A 79 3.028 14.130 17.185 1.00 0.00 O ATOM 1254 CB SER A 79 4.297 12.029 19.245 1.00 0.00 C ATOM 1255 OG SER A 79 4.593 12.061 20.639 1.00 0.00 O ATOM 0 H SER A 79 2.299 10.529 19.319 1.00 0.00 H new ATOM 0 HA SER A 79 2.662 13.352 19.610 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.421 11.013 18.871 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.010 12.655 18.708 1.00 0.00 H new ATOM 0 HG SER A 79 5.509 11.745 20.786 1.00 0.00 H new ATOM 1261 N THR A 80 2.363 12.037 16.643 1.00 0.00 N ATOM 1262 CA THR A 80 2.211 12.333 15.229 1.00 0.00 C ATOM 1263 C THR A 80 0.834 11.882 14.735 1.00 0.00 C ATOM 1264 O THR A 80 0.261 10.933 15.266 1.00 0.00 O ATOM 1265 CB THR A 80 3.370 11.672 14.480 1.00 0.00 C ATOM 1266 OG1 THR A 80 3.267 10.294 14.826 1.00 0.00 O ATOM 1267 CG2 THR A 80 4.736 12.093 15.028 1.00 0.00 C ATOM 0 H THR A 80 2.141 11.076 16.904 1.00 0.00 H new ATOM 0 HA THR A 80 2.254 13.406 15.043 1.00 0.00 H new ATOM 0 HB THR A 80 3.309 11.925 13.421 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.125 9.850 14.661 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.524 11.596 14.462 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.848 13.173 14.935 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.810 11.810 16.078 1.00 0.00 H new ATOM 1275 N LEU A 81 0.344 12.585 13.725 1.00 0.00 N ATOM 1276 CA LEU A 81 -0.954 12.270 13.154 1.00 0.00 C ATOM 1277 C LEU A 81 -0.836 11.010 12.293 1.00 0.00 C ATOM 1278 O LEU A 81 -1.816 10.294 12.097 1.00 0.00 O ATOM 1279 CB LEU A 81 -1.516 13.478 12.401 1.00 0.00 C ATOM 1280 CG LEU A 81 -2.239 14.522 13.254 1.00 0.00 C ATOM 1281 CD1 LEU A 81 -2.479 15.808 12.460 1.00 0.00 C ATOM 1282 CD2 LEU A 81 -3.537 13.955 13.832 1.00 0.00 C ATOM 0 H LEU A 81 0.823 13.372 13.287 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.674 12.052 13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.695 13.970 11.879 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.208 13.117 11.640 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.597 14.779 14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.994 16.533 13.089 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.523 16.221 12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.091 15.587 11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.031 14.718 14.434 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.196 13.652 13.018 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.310 13.091 14.456 1.00 0.00 H new ATOM 1294 N GLN A 82 0.374 10.778 11.804 1.00 0.00 N ATOM 1295 CA GLN A 82 0.633 9.617 10.969 1.00 0.00 C ATOM 1296 C GLN A 82 0.442 8.331 11.775 1.00 0.00 C ATOM 1297 O GLN A 82 -0.091 7.347 11.264 1.00 0.00 O ATOM 1298 CB GLN A 82 2.036 9.681 10.363 1.00 0.00 C ATOM 1299 CG GLN A 82 2.119 8.843 9.085 1.00 0.00 C ATOM 1300 CD GLN A 82 1.683 7.400 9.345 1.00 0.00 C ATOM 1301 OE1 GLN A 82 2.197 6.717 10.215 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.709 6.977 8.545 1.00 0.00 N ATOM 0 H GLN A 82 1.185 11.374 11.970 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.083 9.617 10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.293 10.717 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.766 9.320 11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.486 9.284 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.140 8.855 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.323 7.602 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.347 6.028 8.639 1.00 0.00 H new ATOM 1311 N GLU A 83 0.886 8.380 13.022 1.00 0.00 N ATOM 1312 CA GLU A 83 0.771 7.231 13.904 1.00 0.00 C ATOM 1313 C GLU A 83 -0.685 7.035 14.332 1.00 0.00 C ATOM 1314 O GLU A 83 -1.091 5.925 14.674 1.00 0.00 O ATOM 1315 CB GLU A 83 1.686 7.379 15.121 1.00 0.00 C ATOM 1316 CG GLU A 83 3.158 7.328 14.710 1.00 0.00 C ATOM 1317 CD GLU A 83 3.628 5.883 14.533 1.00 0.00 C ATOM 1318 OE1 GLU A 83 3.234 5.050 15.378 1.00 0.00 O ATOM 1319 OE2 GLU A 83 4.371 5.643 13.556 1.00 0.00 O ATOM 0 H GLU A 83 1.326 9.198 13.443 1.00 0.00 H new ATOM 0 HA GLU A 83 1.091 6.344 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.478 8.323 15.624 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.477 6.584 15.836 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.298 7.877 13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.768 7.822 15.466 1.00 0.00 H new ATOM 1326 N LEU A 84 -1.430 8.129 14.300 1.00 0.00 N ATOM 1327 CA LEU A 84 -2.832 8.092 14.681 1.00 0.00 C ATOM 1328 C LEU A 84 -3.663 7.581 13.502 1.00 0.00 C ATOM 1329 O LEU A 84 -4.689 6.931 13.697 1.00 0.00 O ATOM 1330 CB LEU A 84 -3.282 9.457 15.204 1.00 0.00 C ATOM 1331 CG LEU A 84 -4.790 9.643 15.385 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -5.089 10.809 16.329 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -5.488 9.805 14.034 1.00 0.00 C ATOM 0 H LEU A 84 -1.090 9.048 14.016 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.984 7.395 15.505 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.797 9.634 16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.921 10.224 14.518 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.192 8.742 15.849 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.168 10.920 16.440 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.642 10.612 17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.671 11.727 15.917 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.559 9.936 14.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.087 10.679 13.520 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.316 8.916 13.427 1.00 0.00 H new ATOM 1345 N VAL A 85 -3.188 7.893 12.305 1.00 0.00 N ATOM 1346 CA VAL A 85 -3.874 7.474 11.095 1.00 0.00 C ATOM 1347 C VAL A 85 -3.757 5.955 10.948 1.00 0.00 C ATOM 1348 O VAL A 85 -4.699 5.296 10.512 1.00 0.00 O ATOM 1349 CB VAL A 85 -3.321 8.236 9.889 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -3.660 7.514 8.583 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -3.835 9.677 9.869 1.00 0.00 C ATOM 0 H VAL A 85 -2.336 8.431 12.148 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.936 7.714 11.155 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.235 8.269 9.981 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.256 8.076 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.224 6.515 8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.742 7.436 8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.427 10.197 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.923 9.674 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.521 10.188 10.779 1.00 0.00 H new ATOM 1361 N ASP A 86 -2.593 5.445 11.320 1.00 0.00 N ATOM 1362 CA ASP A 86 -2.340 4.017 11.235 1.00 0.00 C ATOM 1363 C ASP A 86 -3.092 3.302 12.360 1.00 0.00 C ATOM 1364 O ASP A 86 -3.733 2.278 12.130 1.00 0.00 O ATOM 1365 CB ASP A 86 -0.849 3.710 11.394 1.00 0.00 C ATOM 1366 CG ASP A 86 0.035 4.187 10.240 1.00 0.00 C ATOM 1367 OD1 ASP A 86 -0.546 4.598 9.212 1.00 0.00 O ATOM 1368 OD2 ASP A 86 1.272 4.131 10.413 1.00 0.00 O ATOM 0 H ASP A 86 -1.814 5.995 11.681 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.676 3.673 10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.495 4.169 12.317 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.725 2.633 11.506 1.00 0.00 H new ATOM 1373 N HIS A 87 -2.988 3.871 13.552 1.00 0.00 N ATOM 1374 CA HIS A 87 -3.650 3.302 14.713 1.00 0.00 C ATOM 1375 C HIS A 87 -5.135 3.094 14.407 1.00 0.00 C ATOM 1376 O HIS A 87 -5.718 2.085 14.800 1.00 0.00 O ATOM 1377 CB HIS A 87 -3.416 4.168 15.952 1.00 0.00 C ATOM 1378 CG HIS A 87 -4.189 3.721 17.170 1.00 0.00 C ATOM 1379 ND1 HIS A 87 -3.606 3.581 18.418 1.00 0.00 N ATOM 1380 CD2 HIS A 87 -5.502 3.386 17.318 1.00 0.00 C ATOM 1381 CE1 HIS A 87 -4.537 3.178 19.270 1.00 0.00 C ATOM 1382 NE2 HIS A 87 -5.711 3.057 18.587 1.00 0.00 N ATOM 0 H HIS A 87 -2.455 4.720 13.739 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.220 2.326 14.938 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.352 4.165 16.189 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.688 5.198 15.720 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.627 3.758 18.643 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.246 3.388 16.535 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.392 2.980 20.322 1.00 0.00 H new ATOM 1390 N TYR A 88 -5.704 4.066 13.710 1.00 0.00 N ATOM 1391 CA TYR A 88 -7.109 4.003 13.346 1.00 0.00 C ATOM 1392 C TYR A 88 -7.340 2.994 12.220 1.00 0.00 C ATOM 1393 O TYR A 88 -8.425 2.428 12.102 1.00 0.00 O ATOM 1394 CB TYR A 88 -7.478 5.401 12.845 1.00 0.00 C ATOM 1395 CG TYR A 88 -7.753 6.410 13.962 1.00 0.00 C ATOM 1396 CD1 TYR A 88 -7.326 6.149 15.249 1.00 0.00 C ATOM 1397 CD2 TYR A 88 -8.427 7.581 13.684 1.00 0.00 C ATOM 1398 CE1 TYR A 88 -7.584 7.099 16.300 1.00 0.00 C ATOM 1399 CE2 TYR A 88 -8.686 8.531 14.735 1.00 0.00 C ATOM 1400 CZ TYR A 88 -8.251 8.243 15.991 1.00 0.00 C ATOM 1401 OH TYR A 88 -8.495 9.140 16.984 1.00 0.00 O ATOM 0 H TYR A 88 -5.217 4.902 13.387 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.712 3.691 14.199 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.668 5.778 12.221 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.361 5.327 12.211 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.798 5.232 15.467 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.761 7.786 12.677 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.255 6.907 17.311 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.214 9.451 14.530 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.784 9.085 17.656 1.00 0.00 H new ATOM 1411 N LYS A 89 -6.301 2.799 11.422 1.00 0.00 N ATOM 1412 CA LYS A 89 -6.377 1.867 10.309 1.00 0.00 C ATOM 1413 C LYS A 89 -6.358 0.435 10.847 1.00 0.00 C ATOM 1414 O LYS A 89 -6.872 -0.480 10.204 1.00 0.00 O ATOM 1415 CB LYS A 89 -5.271 2.156 9.292 1.00 0.00 C ATOM 1416 CG LYS A 89 -5.657 3.321 8.378 1.00 0.00 C ATOM 1417 CD LYS A 89 -5.482 2.944 6.906 1.00 0.00 C ATOM 1418 CE LYS A 89 -4.316 3.711 6.278 1.00 0.00 C ATOM 1419 NZ LYS A 89 -3.281 2.772 5.790 1.00 0.00 N ATOM 0 H LYS A 89 -5.402 3.270 11.523 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.316 1.993 9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.344 2.391 9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.082 1.266 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.693 3.606 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.041 4.190 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.305 1.872 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.400 3.160 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.678 4.323 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.882 4.390 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.497 3.309 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.923 2.206 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.695 2.141 5.074 1.00 0.00 H new ATOM 1433 N LYS A 90 -5.761 0.285 12.020 1.00 0.00 N ATOM 1434 CA LYS A 90 -5.669 -1.021 12.651 1.00 0.00 C ATOM 1435 C LYS A 90 -6.986 -1.331 13.366 1.00 0.00 C ATOM 1436 O LYS A 90 -7.369 -2.493 13.493 1.00 0.00 O ATOM 1437 CB LYS A 90 -4.444 -1.089 13.564 1.00 0.00 C ATOM 1438 CG LYS A 90 -3.195 -1.490 12.776 1.00 0.00 C ATOM 1439 CD LYS A 90 -1.989 -0.645 13.192 1.00 0.00 C ATOM 1440 CE LYS A 90 -0.698 -1.464 13.131 1.00 0.00 C ATOM 1441 NZ LYS A 90 0.471 -0.613 13.448 1.00 0.00 N ATOM 0 H LYS A 90 -5.336 1.046 12.550 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.523 -1.797 11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.284 -0.120 14.037 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.621 -1.809 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.979 -2.545 12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.379 -1.367 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.905 0.222 12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.137 -0.267 14.204 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.753 -2.294 13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.581 -1.897 12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.339 -1.184 13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.531 0.164 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.365 -0.220 14.405 1.00 0.00 H new ATOM 1455 N GLY A 91 -7.644 -0.271 13.813 1.00 0.00 N ATOM 1456 CA GLY A 91 -8.910 -0.415 14.512 1.00 0.00 C ATOM 1457 C GLY A 91 -9.390 0.930 15.060 1.00 0.00 C ATOM 1458 O GLY A 91 -8.586 1.831 15.295 1.00 0.00 O ATOM 0 H GLY A 91 -7.324 0.691 13.705 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.659 -0.824 13.834 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.799 -1.126 15.330 1.00 0.00 H new ATOM 1462 N ASN A 92 -10.698 1.023 15.249 1.00 0.00 N ATOM 1463 CA ASN A 92 -11.295 2.243 15.765 1.00 0.00 C ATOM 1464 C ASN A 92 -10.664 2.581 17.117 1.00 0.00 C ATOM 1465 O ASN A 92 -10.266 3.721 17.353 1.00 0.00 O ATOM 1466 CB ASN A 92 -12.801 2.073 15.975 1.00 0.00 C ATOM 1467 CG ASN A 92 -13.109 0.762 16.700 1.00 0.00 C ATOM 1468 OD1 ASN A 92 -12.618 -0.300 16.353 1.00 0.00 O ATOM 1469 ND2 ASN A 92 -13.949 0.894 17.723 1.00 0.00 N ATOM 0 H ASN A 92 -11.361 0.273 15.054 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.120 3.038 15.040 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.188 2.912 16.553 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.310 2.088 15.011 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.218 0.077 18.270 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.324 1.813 17.960 1.00 0.00 H new ATOM 1476 N ASP A 93 -10.592 1.570 17.971 1.00 0.00 N ATOM 1477 CA ASP A 93 -10.017 1.746 19.293 1.00 0.00 C ATOM 1478 C ASP A 93 -10.480 3.084 19.872 1.00 0.00 C ATOM 1479 O ASP A 93 -9.680 3.835 20.427 1.00 0.00 O ATOM 1480 CB ASP A 93 -8.488 1.762 19.231 1.00 0.00 C ATOM 1481 CG ASP A 93 -7.784 1.473 20.558 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -8.435 0.847 21.422 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -6.610 1.886 20.679 1.00 0.00 O ATOM 0 H ASP A 93 -10.923 0.626 17.772 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.344 0.914 19.916 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.161 1.026 18.496 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.164 2.738 18.870 1.00 0.00 H new ATOM 1488 N GLY A 94 -11.772 3.342 19.723 1.00 0.00 N ATOM 1489 CA GLY A 94 -12.351 4.576 20.225 1.00 0.00 C ATOM 1490 C GLY A 94 -13.484 5.059 19.316 1.00 0.00 C ATOM 1491 O GLY A 94 -14.579 5.358 19.789 1.00 0.00 O ATOM 0 H GLY A 94 -12.433 2.717 19.262 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.731 4.419 21.234 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.580 5.344 20.290 1.00 0.00 H new ATOM 1495 N LEU A 95 -13.181 5.119 18.028 1.00 0.00 N ATOM 1496 CA LEU A 95 -14.160 5.560 17.049 1.00 0.00 C ATOM 1497 C LEU A 95 -15.316 4.558 17.003 1.00 0.00 C ATOM 1498 O LEU A 95 -15.324 3.580 17.748 1.00 0.00 O ATOM 1499 CB LEU A 95 -13.493 5.792 15.691 1.00 0.00 C ATOM 1500 CG LEU A 95 -12.244 6.675 15.700 1.00 0.00 C ATOM 1501 CD1 LEU A 95 -11.503 6.590 14.364 1.00 0.00 C ATOM 1502 CD2 LEU A 95 -12.594 8.117 16.070 1.00 0.00 C ATOM 0 H LEU A 95 -12.271 4.870 17.639 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.582 6.522 17.339 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.226 4.823 15.269 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.226 6.240 15.020 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.567 6.301 16.468 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.619 7.227 14.397 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.201 5.559 14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.161 6.923 13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.688 8.723 16.069 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.300 8.518 15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.044 8.139 17.063 1.00 0.00 H new ATOM 1514 N CYS A 96 -16.264 4.837 16.120 1.00 0.00 N ATOM 1515 CA CYS A 96 -17.422 3.973 15.967 1.00 0.00 C ATOM 1516 C CYS A 96 -17.096 2.916 14.911 1.00 0.00 C ATOM 1517 O CYS A 96 -17.615 1.802 14.962 1.00 0.00 O ATOM 1518 CB CYS A 96 -18.678 4.769 15.609 1.00 0.00 C ATOM 1519 SG CYS A 96 -18.468 5.571 13.977 1.00 0.00 S ATOM 0 H CYS A 96 -16.254 5.649 15.503 1.00 0.00 H new ATOM 0 HA CYS A 96 -17.641 3.482 16.915 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -19.544 4.108 15.589 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -18.870 5.523 16.372 1.00 0.00 H new ATOM 0 HG CYS A 96 -19.541 6.242 13.682 1.00 0.00 H new ATOM 1525 N GLN A 97 -16.238 3.302 13.978 1.00 0.00 N ATOM 1526 CA GLN A 97 -15.837 2.401 12.911 1.00 0.00 C ATOM 1527 C GLN A 97 -14.362 2.614 12.562 1.00 0.00 C ATOM 1528 O GLN A 97 -13.876 3.744 12.570 1.00 0.00 O ATOM 1529 CB GLN A 97 -16.724 2.583 11.677 1.00 0.00 C ATOM 1530 CG GLN A 97 -18.203 2.437 12.039 1.00 0.00 C ATOM 1531 CD GLN A 97 -19.082 2.490 10.788 1.00 0.00 C ATOM 1532 OE1 GLN A 97 -19.226 3.711 10.280 1.00 0.00 O flip ATOM 1533 NE2 GLN A 97 -19.594 1.489 10.315 1.00 0.00 N flip ATOM 0 H GLN A 97 -15.809 4.227 13.939 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.963 1.376 13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -16.548 3.566 11.240 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -16.457 1.845 10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -18.362 1.493 12.560 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -18.493 3.232 12.726 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -19.442 0.582 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -20.174 1.559 9.479 1.00 0.00 H new ATOM 1542 N LYS A 98 -13.692 1.511 12.265 1.00 0.00 N ATOM 1543 CA LYS A 98 -12.283 1.563 11.915 1.00 0.00 C ATOM 1544 C LYS A 98 -12.120 2.299 10.584 1.00 0.00 C ATOM 1545 O LYS A 98 -13.095 2.515 9.865 1.00 0.00 O ATOM 1546 CB LYS A 98 -11.678 0.157 11.918 1.00 0.00 C ATOM 1547 CG LYS A 98 -12.302 -0.711 10.823 1.00 0.00 C ATOM 1548 CD LYS A 98 -12.451 -2.160 11.291 1.00 0.00 C ATOM 1549 CE LYS A 98 -13.850 -2.695 10.979 1.00 0.00 C ATOM 1550 NZ LYS A 98 -14.102 -3.949 11.723 1.00 0.00 N ATOM 0 H LYS A 98 -14.099 0.576 12.259 1.00 0.00 H new ATOM 0 HA LYS A 98 -11.725 2.127 12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.600 0.221 11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.836 -0.309 12.891 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.278 -0.311 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.681 -0.676 9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.702 -2.783 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -12.265 -2.221 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.599 -1.950 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.947 -2.874 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.056 -4.299 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.398 -4.663 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.030 -3.767 12.744 1.00 0.00 H new ATOM 1564 N LEU A 99 -10.880 2.666 10.295 1.00 0.00 N ATOM 1565 CA LEU A 99 -10.576 3.374 9.063 1.00 0.00 C ATOM 1566 C LEU A 99 -10.286 2.360 7.955 1.00 0.00 C ATOM 1567 O LEU A 99 -9.593 1.369 8.181 1.00 0.00 O ATOM 1568 CB LEU A 99 -9.445 4.380 9.287 1.00 0.00 C ATOM 1569 CG LEU A 99 -9.822 5.655 10.044 1.00 0.00 C ATOM 1570 CD1 LEU A 99 -8.668 6.659 10.036 1.00 0.00 C ATOM 1571 CD2 LEU A 99 -11.112 6.261 9.488 1.00 0.00 C ATOM 0 H LEU A 99 -10.074 2.486 10.893 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.435 3.962 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.644 3.881 9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.040 4.664 8.316 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.012 5.391 11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.962 7.556 10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.795 6.214 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.423 6.923 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -11.358 7.166 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.974 6.508 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.925 5.542 9.589 1.00 0.00 H new ATOM 1583 N SER A 100 -10.831 2.642 6.781 1.00 0.00 N ATOM 1584 CA SER A 100 -10.639 1.766 5.637 1.00 0.00 C ATOM 1585 C SER A 100 -9.525 2.312 4.741 1.00 0.00 C ATOM 1586 O SER A 100 -8.391 1.838 4.797 1.00 0.00 O ATOM 1587 CB SER A 100 -11.935 1.612 4.838 1.00 0.00 C ATOM 1588 OG SER A 100 -12.333 2.836 4.225 1.00 0.00 O ATOM 0 H SER A 100 -11.405 3.464 6.597 1.00 0.00 H new ATOM 0 HA SER A 100 -10.351 0.781 6.005 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.800 0.850 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.729 1.262 5.498 1.00 0.00 H new ATOM 0 HG SER A 100 -12.119 3.585 4.820 1.00 0.00 H new ATOM 1594 N VAL A 101 -9.887 3.300 3.937 1.00 0.00 N ATOM 1595 CA VAL A 101 -8.932 3.915 3.030 1.00 0.00 C ATOM 1596 C VAL A 101 -9.113 5.434 3.060 1.00 0.00 C ATOM 1597 O VAL A 101 -10.206 5.928 3.334 1.00 0.00 O ATOM 1598 CB VAL A 101 -9.085 3.322 1.628 1.00 0.00 C ATOM 1599 CG1 VAL A 101 -8.348 1.986 1.515 1.00 0.00 C ATOM 1600 CG2 VAL A 101 -10.561 3.168 1.256 1.00 0.00 C ATOM 0 H VAL A 101 -10.828 3.690 3.894 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.911 3.703 3.348 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.632 4.015 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.473 1.586 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.288 2.137 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.758 1.282 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.642 2.745 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.049 2.505 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.045 4.144 1.277 1.00 0.00 H new ATOM 1610 N PRO A 102 -7.996 6.152 2.766 1.00 0.00 N ATOM 1611 CA PRO A 102 -8.020 7.605 2.757 1.00 0.00 C ATOM 1612 C PRO A 102 -8.730 8.133 1.508 1.00 0.00 C ATOM 1613 O PRO A 102 -8.730 7.479 0.466 1.00 0.00 O ATOM 1614 CB PRO A 102 -6.561 8.023 2.832 1.00 0.00 C ATOM 1615 CG PRO A 102 -5.755 6.804 2.414 1.00 0.00 C ATOM 1616 CD PRO A 102 -6.684 5.601 2.437 1.00 0.00 C ATOM 0 HA PRO A 102 -8.583 8.022 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.362 8.867 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.297 8.338 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.338 6.945 1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.915 6.651 3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.698 5.093 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.365 4.868 3.178 1.00 0.00 H new ATOM 1624 N CYS A 103 -9.317 9.312 1.654 1.00 0.00 N ATOM 1625 CA CYS A 103 -10.028 9.935 0.551 1.00 0.00 C ATOM 1626 C CYS A 103 -9.194 9.758 -0.720 1.00 0.00 C ATOM 1627 O CYS A 103 -7.969 9.675 -0.655 1.00 0.00 O ATOM 1628 CB CYS A 103 -10.332 11.408 0.834 1.00 0.00 C ATOM 1629 SG CYS A 103 -11.607 12.018 -0.328 1.00 0.00 S ATOM 0 H CYS A 103 -9.315 9.852 2.519 1.00 0.00 H new ATOM 0 HA CYS A 103 -10.996 9.451 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.678 11.526 1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.423 12.001 0.734 1.00 0.00 H new ATOM 0 HG CYS A 103 -11.859 13.269 -0.078 1.00 0.00 H new ATOM 1635 N MET A 104 -9.892 9.706 -1.845 1.00 0.00 N ATOM 1636 CA MET A 104 -9.232 9.541 -3.128 1.00 0.00 C ATOM 1637 C MET A 104 -8.681 10.875 -3.637 1.00 0.00 C ATOM 1638 O MET A 104 -9.098 11.938 -3.180 1.00 0.00 O ATOM 1639 CB MET A 104 -10.226 8.977 -4.145 1.00 0.00 C ATOM 1640 CG MET A 104 -10.769 7.622 -3.688 1.00 0.00 C ATOM 1641 SD MET A 104 -10.631 6.431 -5.009 1.00 0.00 S ATOM 1642 CE MET A 104 -8.978 5.827 -4.711 1.00 0.00 C ATOM 0 H MET A 104 -10.908 9.775 -1.894 1.00 0.00 H new ATOM 0 HA MET A 104 -8.398 8.850 -3.000 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.051 9.677 -4.279 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.739 8.869 -5.114 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.216 7.275 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.811 7.722 -3.385 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.728 5.069 -5.453 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.270 6.653 -4.784 1.00 0.00 H new ATOM 0 HE3 MET A 104 -8.925 5.390 -3.714 1.00 0.00 H new ATOM 1652 N SER A 105 -7.752 10.775 -4.577 1.00 0.00 N ATOM 1653 CA SER A 105 -7.140 11.960 -5.153 1.00 0.00 C ATOM 1654 C SER A 105 -8.116 12.638 -6.116 1.00 0.00 C ATOM 1655 O SER A 105 -8.114 12.350 -7.312 1.00 0.00 O ATOM 1656 CB SER A 105 -5.837 11.611 -5.876 1.00 0.00 C ATOM 1657 OG SER A 105 -4.960 12.730 -5.965 1.00 0.00 O ATOM 0 H SER A 105 -7.409 9.892 -4.954 1.00 0.00 H new ATOM 0 HA SER A 105 -6.901 12.649 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 105 -5.336 10.799 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.064 11.248 -6.878 1.00 0.00 H new ATOM 0 HG SER A 105 -4.145 12.548 -5.452 1.00 0.00 H new ATOM 1663 N SER A 106 -8.928 13.525 -5.559 1.00 0.00 N ATOM 1664 CA SER A 106 -9.907 14.246 -6.353 1.00 0.00 C ATOM 1665 C SER A 106 -9.521 15.723 -6.447 1.00 0.00 C ATOM 1666 O SER A 106 -9.267 16.368 -5.431 1.00 0.00 O ATOM 1667 CB SER A 106 -11.311 14.101 -5.761 1.00 0.00 C ATOM 1668 OG SER A 106 -11.732 12.741 -5.713 1.00 0.00 O ATOM 0 H SER A 106 -8.927 13.760 -4.567 1.00 0.00 H new ATOM 0 HA SER A 106 -9.918 13.816 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 106 -11.325 14.521 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 106 -12.017 14.678 -6.357 1.00 0.00 H new ATOM 0 HG SER A 106 -12.632 12.690 -5.328 1.00 0.00 H new ATOM 1674 N LYS A 107 -9.487 16.216 -7.676 1.00 0.00 N ATOM 1675 CA LYS A 107 -9.135 17.605 -7.916 1.00 0.00 C ATOM 1676 C LYS A 107 -9.392 17.946 -9.385 1.00 0.00 C ATOM 1677 O LYS A 107 -9.058 17.165 -10.275 1.00 0.00 O ATOM 1678 CB LYS A 107 -7.700 17.881 -7.463 1.00 0.00 C ATOM 1679 CG LYS A 107 -6.696 17.119 -8.330 1.00 0.00 C ATOM 1680 CD LYS A 107 -5.295 17.164 -7.715 1.00 0.00 C ATOM 1681 CE LYS A 107 -4.412 18.182 -8.439 1.00 0.00 C ATOM 1682 NZ LYS A 107 -3.718 19.053 -7.465 1.00 0.00 N ATOM 0 H LYS A 107 -9.698 15.678 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 107 -9.765 18.265 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.496 18.950 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.581 17.588 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.016 16.083 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.672 17.551 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.366 17.424 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.838 16.176 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.680 17.662 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.021 18.789 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.123 19.738 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.421 19.563 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.121 18.471 -6.843 1.00 0.00 H new TER 1696 LYS A 107