USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1079 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 126 TYR OH : rot 16:sc= 0.791 USER MOD Set 1.2: A 130 MET CE :methyl 146:sc= -1.48 (180deg=-4.51!) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 72 GLN : amide:sc= -0.0429 K(o=-0.014,f=-3.4!) USER MOD Set 2.3: A 73 THR OG1 : rot 180:sc= 0.0286 USER MOD Set 3.1: A 53 SER OG : rot 92:sc= 1.06 USER MOD Set 3.2: A 62 LYS NZ :NH3+ 177:sc= 1.5 (180deg=0.0428) USER MOD Single : A 1 SER N :NH3+ 156:sc= 0.0236 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 2 MET CE :methyl 157:sc= -0.354 (180deg=-1.28!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.722 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -2.58! (180deg=-4.63!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.0554 K(o=0.055,f=-1.8) USER MOD Single : A 29 THR OG1 : rot -13:sc= 0.545 USER MOD Single : A 33 LYS NZ :NH3+ -131:sc= 0.853 (180deg=-1.22) USER MOD Single : A 34 THR OG1 : rot -37:sc= 0.0005 USER MOD Single : A 37 SER OG : rot 68:sc= 0.612 USER MOD Single : A 40 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 47 CYS SG : rot 70:sc= 0.954 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= -0.0168 (180deg=-0.191) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.2) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.317 F(o=-1.3,f=0.33) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.018 (180deg=-0.158) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.702) USER MOD Single : A 80 ASN :FLIP amide:sc=-0.00855 F(o=-0.88,f=-0.0085) USER MOD Single : A 84 HIS : no HE2:sc= 0.494 K(o=0.49,f=-1.6!) USER MOD Single : A 85 THR OG1 : rot 49:sc= 1.31 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -12:sc= 0.849 USER MOD Single : A 91 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0098) USER MOD Single : A 92 SER OG : rot -0:sc= 0.24 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.138 F(o=-0.97,f=-0.14) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 99 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.988 K(o=-0.99,f=-2.2) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 49:sc= 0.0445 USER MOD Single : A 110 GLN : amide:sc= -0.926 K(o=-0.93,f=-1.7!) USER MOD Single : A 112 MET CE :methyl -158:sc= -1.95 (180deg=-3.36!) USER MOD Single : A 114 GLN : amide:sc= -0.79 K(o=-0.79,f=-2.1!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 28:sc= 0.959 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -171:sc=-0.00423 (180deg=-0.109) USER MOD Single : A 123 SER OG : rot -92:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.163 -15.170 -7.977 1.00 0.00 N ATOM 2 CA SER A 1 -18.194 -14.543 -8.896 1.00 0.00 C ATOM 3 C SER A 1 -17.999 -13.073 -8.530 1.00 0.00 C ATOM 4 O SER A 1 -18.954 -12.288 -8.556 1.00 0.00 O ATOM 5 CB SER A 1 -18.693 -14.682 -10.338 1.00 0.00 C ATOM 6 OG SER A 1 -18.952 -16.042 -10.656 1.00 0.00 O ATOM 0 H1 SER A 1 -19.595 -15.996 -8.439 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.674 -15.474 -7.111 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.904 -14.483 -7.732 1.00 0.00 H new ATOM 0 HA SER A 1 -17.231 -15.046 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.601 -14.094 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.949 -14.279 -11.025 1.00 0.00 H new ATOM 0 HG SER A 1 -19.271 -16.107 -11.580 1.00 0.00 H new ATOM 14 N MET A 2 -16.763 -12.716 -8.181 1.00 0.00 N ATOM 15 CA MET A 2 -16.417 -11.361 -7.749 1.00 0.00 C ATOM 16 C MET A 2 -17.085 -11.007 -6.418 1.00 0.00 C ATOM 17 O MET A 2 -17.742 -11.843 -5.791 1.00 0.00 O ATOM 18 CB MET A 2 -16.776 -10.311 -8.819 1.00 0.00 C ATOM 19 CG MET A 2 -15.869 -10.336 -10.044 1.00 0.00 C ATOM 20 SD MET A 2 -16.157 -8.936 -11.151 1.00 0.00 S ATOM 21 CE MET A 2 -15.819 -7.560 -10.051 1.00 0.00 C ATOM 0 H MET A 2 -15.972 -13.359 -8.190 1.00 0.00 H new ATOM 0 HA MET A 2 -15.337 -11.345 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 2 -17.806 -10.471 -9.139 1.00 0.00 H new ATOM 0 HB3 MET A 2 -16.733 -9.319 -8.368 1.00 0.00 H new ATOM 0 HG2 MET A 2 -14.828 -10.331 -9.721 1.00 0.00 H new ATOM 0 HG3 MET A 2 -16.028 -11.265 -10.591 1.00 0.00 H new ATOM 0 HE1 MET A 2 -15.552 -6.682 -10.639 1.00 0.00 H new ATOM 0 HE2 MET A 2 -16.706 -7.343 -9.457 1.00 0.00 H new ATOM 0 HE3 MET A 2 -14.993 -7.818 -9.388 1.00 0.00 H new ATOM 31 N VAL A 3 -16.886 -9.761 -5.999 1.00 0.00 N ATOM 32 CA VAL A 3 -17.407 -9.245 -4.735 1.00 0.00 C ATOM 33 C VAL A 3 -18.925 -9.415 -4.606 1.00 0.00 C ATOM 34 O VAL A 3 -19.660 -9.411 -5.596 1.00 0.00 O ATOM 35 CB VAL A 3 -17.044 -7.744 -4.565 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.549 -6.923 -5.752 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.591 -7.183 -3.249 1.00 0.00 C ATOM 0 H VAL A 3 -16.353 -9.073 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 3 -16.938 -9.834 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.957 -7.670 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.283 -5.876 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.092 -7.292 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.633 -7.015 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.319 -6.131 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.677 -7.280 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.167 -7.738 -2.412 1.00 0.00 H new ATOM 47 N SER A 4 -19.370 -9.567 -3.364 1.00 0.00 N ATOM 48 CA SER A 4 -20.782 -9.610 -3.015 1.00 0.00 C ATOM 49 C SER A 4 -20.991 -8.693 -1.803 1.00 0.00 C ATOM 50 O SER A 4 -20.061 -8.510 -1.016 1.00 0.00 O ATOM 51 CB SER A 4 -21.188 -11.060 -2.691 1.00 0.00 C ATOM 52 OG SER A 4 -22.580 -11.180 -2.440 1.00 0.00 O ATOM 0 H SER A 4 -18.749 -9.665 -2.560 1.00 0.00 H new ATOM 0 HA SER A 4 -21.403 -9.268 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 4 -20.913 -11.708 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 4 -20.632 -11.406 -1.820 1.00 0.00 H new ATOM 0 HG SER A 4 -22.797 -12.115 -2.240 1.00 0.00 H new ATOM 58 N PRO A 5 -22.183 -8.078 -1.645 1.00 0.00 N ATOM 59 CA PRO A 5 -22.478 -7.182 -0.512 1.00 0.00 C ATOM 60 C PRO A 5 -21.974 -7.727 0.831 1.00 0.00 C ATOM 61 O PRO A 5 -21.435 -6.982 1.655 1.00 0.00 O ATOM 62 CB PRO A 5 -24.006 -7.104 -0.532 1.00 0.00 C ATOM 63 CG PRO A 5 -24.362 -7.248 -1.974 1.00 0.00 C ATOM 64 CD PRO A 5 -23.332 -8.181 -2.571 1.00 0.00 C ATOM 0 HA PRO A 5 -21.981 -6.217 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.453 -7.896 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.362 -6.157 -0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.367 -7.653 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -24.349 -6.281 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -23.706 -9.203 -2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.059 -7.880 -3.582 1.00 0.00 H new ATOM 72 N GLU A 6 -22.140 -9.032 1.034 1.00 0.00 N ATOM 73 CA GLU A 6 -21.684 -9.694 2.256 1.00 0.00 C ATOM 74 C GLU A 6 -20.154 -9.679 2.334 1.00 0.00 C ATOM 75 O GLU A 6 -19.573 -9.468 3.398 1.00 0.00 O ATOM 76 CB GLU A 6 -22.207 -11.136 2.300 1.00 0.00 C ATOM 77 CG GLU A 6 -21.910 -11.867 3.604 1.00 0.00 C ATOM 78 CD GLU A 6 -22.450 -13.289 3.607 1.00 0.00 C ATOM 79 OE1 GLU A 6 -23.643 -13.480 3.922 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.683 -14.223 3.285 1.00 0.00 O ATOM 0 H GLU A 6 -22.590 -9.656 0.364 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.078 -9.151 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -23.285 -11.125 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -21.768 -11.696 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.833 -11.890 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.347 -11.314 4.435 1.00 0.00 H new ATOM 87 N GLU A 7 -19.509 -9.889 1.193 1.00 0.00 N ATOM 88 CA GLU A 7 -18.051 -9.844 1.108 1.00 0.00 C ATOM 89 C GLU A 7 -17.561 -8.437 1.455 1.00 0.00 C ATOM 90 O GLU A 7 -16.524 -8.262 2.094 1.00 0.00 O ATOM 91 CB GLU A 7 -17.598 -10.233 -0.308 1.00 0.00 C ATOM 92 CG GLU A 7 -16.085 -10.314 -0.498 1.00 0.00 C ATOM 93 CD GLU A 7 -15.440 -11.455 0.276 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.855 -12.616 0.076 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.506 -11.201 1.066 1.00 0.00 O ATOM 0 H GLU A 7 -19.974 -10.093 0.308 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.624 -10.553 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.034 -11.200 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.000 -9.507 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.865 -10.434 -1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.636 -9.372 -0.184 1.00 0.00 H new ATOM 102 N ALA A 8 -18.343 -7.439 1.046 1.00 0.00 N ATOM 103 CA ALA A 8 -18.002 -6.040 1.280 1.00 0.00 C ATOM 104 C ALA A 8 -17.947 -5.723 2.775 1.00 0.00 C ATOM 105 O ALA A 8 -17.010 -5.072 3.245 1.00 0.00 O ATOM 106 CB ALA A 8 -18.997 -5.126 0.571 1.00 0.00 C ATOM 0 H ALA A 8 -19.222 -7.577 0.548 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.009 -5.862 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.730 -4.085 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.972 -5.323 -0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.001 -5.316 0.952 1.00 0.00 H new ATOM 112 N VAL A 9 -18.944 -6.191 3.531 1.00 0.00 N ATOM 113 CA VAL A 9 -18.977 -5.941 4.974 1.00 0.00 C ATOM 114 C VAL A 9 -17.839 -6.685 5.675 1.00 0.00 C ATOM 115 O VAL A 9 -17.367 -6.263 6.731 1.00 0.00 O ATOM 116 CB VAL A 9 -20.336 -6.319 5.624 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.482 -5.552 4.968 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.586 -7.823 5.566 1.00 0.00 C ATOM 0 H VAL A 9 -19.728 -6.737 3.174 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.847 -4.866 5.103 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.289 -6.034 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.424 -5.832 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.320 -4.481 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.521 -5.794 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -21.546 -8.050 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.599 -8.150 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.792 -8.345 6.100 1.00 0.00 H new ATOM 128 N LYS A 10 -17.390 -7.787 5.069 1.00 0.00 N ATOM 129 CA LYS A 10 -16.232 -8.523 5.576 1.00 0.00 C ATOM 130 C LYS A 10 -14.971 -7.671 5.450 1.00 0.00 C ATOM 131 O LYS A 10 -14.030 -7.800 6.237 1.00 0.00 O ATOM 132 CB LYS A 10 -16.058 -9.853 4.827 1.00 0.00 C ATOM 133 CG LYS A 10 -17.240 -10.802 4.983 1.00 0.00 C ATOM 134 CD LYS A 10 -17.528 -11.105 6.450 1.00 0.00 C ATOM 135 CE LYS A 10 -18.777 -11.959 6.620 1.00 0.00 C ATOM 136 NZ LYS A 10 -19.079 -12.210 8.054 1.00 0.00 N ATOM 0 H LYS A 10 -17.810 -8.187 4.230 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.401 -8.747 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.907 -9.646 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.156 -10.348 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -18.124 -10.362 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.033 -11.732 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.674 -11.621 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.651 -10.170 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.625 -11.461 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.641 -12.910 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.936 -12.795 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.279 -12.708 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.233 -11.304 8.540 1.00 0.00 H new ATOM 150 N TRP A 11 -14.959 -6.799 4.451 1.00 0.00 N ATOM 151 CA TRP A 11 -13.876 -5.838 4.283 1.00 0.00 C ATOM 152 C TRP A 11 -14.077 -4.677 5.248 1.00 0.00 C ATOM 153 O TRP A 11 -13.116 -4.062 5.713 1.00 0.00 O ATOM 154 CB TRP A 11 -13.838 -5.311 2.845 1.00 0.00 C ATOM 155 CG TRP A 11 -13.780 -6.389 1.804 1.00 0.00 C ATOM 156 CD1 TRP A 11 -13.451 -7.704 1.986 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.050 -6.232 0.410 1.00 0.00 C ATOM 158 NE1 TRP A 11 -13.517 -8.374 0.792 1.00 0.00 N ATOM 159 CE2 TRP A 11 -13.876 -7.490 -0.193 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.426 -5.149 -0.388 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.065 -7.693 -1.555 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.611 -5.350 -1.739 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.432 -6.613 -2.310 1.00 0.00 C ATOM 0 H TRP A 11 -15.690 -6.737 3.742 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.930 -6.336 4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.722 -4.698 2.670 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -12.971 -4.661 2.729 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.179 -8.149 2.932 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.330 -9.368 0.658 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.569 -4.171 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -13.927 -8.667 -2.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -14.899 -4.519 -2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.587 -6.739 -3.371 1.00 0.00 H new ATOM 174 N GLY A 12 -15.345 -4.401 5.550 1.00 0.00 N ATOM 175 CA GLY A 12 -15.699 -3.321 6.456 1.00 0.00 C ATOM 176 C GLY A 12 -15.309 -3.612 7.892 1.00 0.00 C ATOM 177 O GLY A 12 -15.364 -2.726 8.749 1.00 0.00 O ATOM 0 H GLY A 12 -16.143 -4.915 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.210 -2.403 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.774 -3.146 6.404 1.00 0.00 H new ATOM 181 N GLU A 13 -14.934 -4.860 8.164 1.00 0.00 N ATOM 182 CA GLU A 13 -14.444 -5.246 9.484 1.00 0.00 C ATOM 183 C GLU A 13 -12.930 -5.479 9.455 1.00 0.00 C ATOM 184 O GLU A 13 -12.224 -5.149 10.410 1.00 0.00 O ATOM 185 CB GLU A 13 -15.166 -6.505 9.989 1.00 0.00 C ATOM 186 CG GLU A 13 -15.022 -7.715 9.072 1.00 0.00 C ATOM 187 CD GLU A 13 -15.585 -8.988 9.679 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.794 -9.261 9.504 1.00 0.00 O ATOM 189 OE2 GLU A 13 -14.822 -9.726 10.339 1.00 0.00 O ATOM 0 H GLU A 13 -14.960 -5.622 7.486 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.656 -4.428 10.172 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.779 -6.762 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.225 -6.279 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.530 -7.512 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.968 -7.865 8.840 1.00 0.00 H new ATOM 196 N SER A 14 -12.431 -6.032 8.351 1.00 0.00 N ATOM 197 CA SER A 14 -11.015 -6.380 8.234 1.00 0.00 C ATOM 198 C SER A 14 -10.381 -5.704 7.017 1.00 0.00 C ATOM 199 O SER A 14 -10.609 -6.113 5.873 1.00 0.00 O ATOM 200 CB SER A 14 -10.852 -7.907 8.143 1.00 0.00 C ATOM 201 OG SER A 14 -9.485 -8.285 8.040 1.00 0.00 O ATOM 0 H SER A 14 -12.986 -6.249 7.524 1.00 0.00 H new ATOM 0 HA SER A 14 -10.500 -6.020 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.293 -8.373 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.399 -8.280 7.277 1.00 0.00 H new ATOM 0 HG SER A 14 -9.419 -9.261 7.986 1.00 0.00 H new ATOM 207 N PHE A 15 -9.580 -4.670 7.276 1.00 0.00 N ATOM 208 CA PHE A 15 -8.857 -3.956 6.224 1.00 0.00 C ATOM 209 C PHE A 15 -7.891 -4.908 5.514 1.00 0.00 C ATOM 210 O PHE A 15 -7.662 -4.801 4.308 1.00 0.00 O ATOM 211 CB PHE A 15 -8.103 -2.754 6.823 1.00 0.00 C ATOM 212 CG PHE A 15 -7.379 -1.892 5.809 1.00 0.00 C ATOM 213 CD1 PHE A 15 -8.047 -1.381 4.704 1.00 0.00 C ATOM 214 CD2 PHE A 15 -6.036 -1.581 5.969 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.391 -0.583 3.785 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.376 -0.784 5.050 1.00 0.00 C ATOM 217 CZ PHE A 15 -6.056 -0.285 3.957 1.00 0.00 C ATOM 0 H PHE A 15 -9.415 -4.306 8.214 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.570 -3.581 5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.813 -2.132 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.379 -3.122 7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.093 -1.610 4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.498 -1.966 6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.925 -0.193 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.330 -0.553 5.188 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.543 0.337 3.238 1.00 0.00 H new ATOM 227 N ASP A 16 -7.344 -5.855 6.275 1.00 0.00 N ATOM 228 CA ASP A 16 -6.481 -6.896 5.717 1.00 0.00 C ATOM 229 C ASP A 16 -7.248 -7.732 4.697 1.00 0.00 C ATOM 230 O ASP A 16 -6.723 -8.075 3.638 1.00 0.00 O ATOM 231 CB ASP A 16 -5.933 -7.806 6.828 1.00 0.00 C ATOM 232 CG ASP A 16 -5.247 -9.057 6.282 1.00 0.00 C ATOM 233 OD1 ASP A 16 -4.068 -8.973 5.871 1.00 0.00 O ATOM 234 OD2 ASP A 16 -5.886 -10.133 6.262 1.00 0.00 O ATOM 0 H ASP A 16 -7.484 -5.923 7.283 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.642 -6.408 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.224 -7.244 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.751 -8.103 7.485 1.00 0.00 H new ATOM 239 N LYS A 17 -8.504 -8.041 5.017 1.00 0.00 N ATOM 240 CA LYS A 17 -9.339 -8.863 4.147 1.00 0.00 C ATOM 241 C LYS A 17 -9.697 -8.089 2.881 1.00 0.00 C ATOM 242 O LYS A 17 -9.814 -8.668 1.797 1.00 0.00 O ATOM 243 CB LYS A 17 -10.599 -9.316 4.895 1.00 0.00 C ATOM 244 CG LYS A 17 -11.488 -10.266 4.099 1.00 0.00 C ATOM 245 CD LYS A 17 -12.587 -10.898 4.960 1.00 0.00 C ATOM 246 CE LYS A 17 -12.050 -11.977 5.908 1.00 0.00 C ATOM 247 NZ LYS A 17 -11.166 -11.431 6.977 1.00 0.00 N ATOM 0 H LYS A 17 -8.965 -7.733 5.874 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.783 -9.754 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.302 -9.805 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.181 -8.436 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.945 -9.723 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.874 -11.054 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.078 -10.119 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.345 -11.336 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.890 -12.497 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.496 -12.717 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.203 -12.053 7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.188 -11.379 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.489 -10.479 7.242 1.00 0.00 H new ATOM 261 N LEU A 18 -9.848 -6.775 3.029 1.00 0.00 N ATOM 262 CA LEU A 18 -10.061 -5.880 1.892 1.00 0.00 C ATOM 263 C LEU A 18 -8.916 -6.025 0.890 1.00 0.00 C ATOM 264 O LEU A 18 -9.137 -6.201 -0.308 1.00 0.00 O ATOM 265 CB LEU A 18 -10.160 -4.425 2.386 1.00 0.00 C ATOM 266 CG LEU A 18 -10.301 -3.346 1.294 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.587 -3.533 0.499 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.251 -1.950 1.908 1.00 0.00 C ATOM 0 H LEU A 18 -9.827 -6.302 3.933 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.994 -6.147 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.016 -4.348 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.271 -4.202 2.976 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.461 -3.454 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.659 -2.758 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.580 -4.513 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.443 -3.463 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.352 -1.203 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.066 -1.837 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.299 -1.811 2.420 1.00 0.00 H new ATOM 280 N LEU A 19 -7.693 -5.976 1.407 1.00 0.00 N ATOM 281 CA LEU A 19 -6.485 -6.090 0.589 1.00 0.00 C ATOM 282 C LEU A 19 -6.243 -7.541 0.167 1.00 0.00 C ATOM 283 O LEU A 19 -5.619 -7.807 -0.861 1.00 0.00 O ATOM 284 CB LEU A 19 -5.273 -5.551 1.373 1.00 0.00 C ATOM 285 CG LEU A 19 -5.122 -4.014 1.427 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.451 -3.323 1.719 1.00 0.00 C ATOM 287 CD2 LEU A 19 -4.086 -3.621 2.478 1.00 0.00 C ATOM 0 H LEU A 19 -7.508 -5.856 2.403 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.621 -5.496 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.333 -5.925 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.367 -5.969 0.933 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.785 -3.683 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.301 -2.244 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.168 -3.568 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.834 -3.663 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.989 -2.536 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.405 -3.982 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.123 -4.065 2.224 1.00 0.00 H new ATOM 299 N SER A 20 -6.741 -8.474 0.972 1.00 0.00 N ATOM 300 CA SER A 20 -6.564 -9.900 0.715 1.00 0.00 C ATOM 301 C SER A 20 -7.439 -10.345 -0.458 1.00 0.00 C ATOM 302 O SER A 20 -7.047 -11.210 -1.251 1.00 0.00 O ATOM 303 CB SER A 20 -6.907 -10.704 1.978 1.00 0.00 C ATOM 304 OG SER A 20 -6.577 -12.079 1.836 1.00 0.00 O ATOM 0 H SER A 20 -7.275 -8.266 1.816 1.00 0.00 H new ATOM 0 HA SER A 20 -5.522 -10.085 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.370 -10.288 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.971 -10.606 2.193 1.00 0.00 H new ATOM 0 HG SER A 20 -6.808 -12.558 2.659 1.00 0.00 H new ATOM 310 N HIS A 21 -8.621 -9.748 -0.568 1.00 0.00 N ATOM 311 CA HIS A 21 -9.562 -10.098 -1.629 1.00 0.00 C ATOM 312 C HIS A 21 -9.252 -9.270 -2.875 1.00 0.00 C ATOM 313 O HIS A 21 -9.210 -8.041 -2.808 1.00 0.00 O ATOM 314 CB HIS A 21 -11.010 -9.851 -1.165 1.00 0.00 C ATOM 315 CG HIS A 21 -11.998 -10.873 -1.660 1.00 0.00 C ATOM 316 ND1 HIS A 21 -12.756 -10.725 -2.806 1.00 0.00 N ATOM 317 CD2 HIS A 21 -12.368 -12.062 -1.127 1.00 0.00 C ATOM 318 CE1 HIS A 21 -13.546 -11.775 -2.948 1.00 0.00 C ATOM 319 NE2 HIS A 21 -13.332 -12.601 -1.942 1.00 0.00 N ATOM 0 H HIS A 21 -8.951 -9.019 0.064 1.00 0.00 H new ATOM 0 HA HIS A 21 -9.458 -11.157 -1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.033 -9.837 -0.075 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.325 -8.864 -1.503 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.713 -9.929 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.975 -12.506 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.249 -11.931 -3.753 1.00 0.00 H new ATOM 328 N ARG A 22 -9.038 -9.952 -4.000 1.00 0.00 N ATOM 329 CA ARG A 22 -8.693 -9.304 -5.271 1.00 0.00 C ATOM 330 C ARG A 22 -9.600 -8.105 -5.549 1.00 0.00 C ATOM 331 O ARG A 22 -9.125 -7.025 -5.895 1.00 0.00 O ATOM 332 CB ARG A 22 -8.803 -10.326 -6.413 1.00 0.00 C ATOM 333 CG ARG A 22 -8.557 -9.744 -7.802 1.00 0.00 C ATOM 334 CD ARG A 22 -8.724 -10.797 -8.893 1.00 0.00 C ATOM 335 NE ARG A 22 -10.050 -11.422 -8.863 1.00 0.00 N ATOM 336 CZ ARG A 22 -10.724 -11.826 -9.943 1.00 0.00 C ATOM 337 NH1 ARG A 22 -10.233 -11.639 -11.164 1.00 0.00 N ATOM 338 NH2 ARG A 22 -11.904 -12.410 -9.793 1.00 0.00 N ATOM 0 H ARG A 22 -9.098 -10.969 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.669 -8.937 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.088 -11.129 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.797 -10.774 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.251 -8.922 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.551 -9.328 -7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.564 -10.336 -9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.960 -11.565 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.489 -11.558 -7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.330 -11.181 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.760 -11.953 -11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.290 -12.547 -8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.426 -12.722 -10.612 1.00 0.00 H new ATOM 352 N ASP A 23 -10.901 -8.310 -5.379 1.00 0.00 N ATOM 353 CA ASP A 23 -11.902 -7.266 -5.622 1.00 0.00 C ATOM 354 C ASP A 23 -11.644 -6.043 -4.748 1.00 0.00 C ATOM 355 O ASP A 23 -11.759 -4.904 -5.204 1.00 0.00 O ATOM 356 CB ASP A 23 -13.308 -7.800 -5.330 1.00 0.00 C ATOM 357 CG ASP A 23 -13.590 -9.113 -6.028 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.095 -10.155 -5.542 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.298 -9.110 -7.050 1.00 0.00 O ATOM 0 H ASP A 23 -11.295 -9.199 -5.070 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.828 -6.975 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.426 -7.932 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.045 -7.061 -5.643 1.00 0.00 H new ATOM 364 N GLY A 24 -11.290 -6.295 -3.490 1.00 0.00 N ATOM 365 CA GLY A 24 -11.070 -5.221 -2.542 1.00 0.00 C ATOM 366 C GLY A 24 -9.860 -4.391 -2.900 1.00 0.00 C ATOM 367 O GLY A 24 -9.943 -3.166 -2.996 1.00 0.00 O ATOM 0 H GLY A 24 -11.151 -7.232 -3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.952 -4.581 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.941 -5.639 -1.544 1.00 0.00 H new ATOM 371 N LEU A 25 -8.736 -5.067 -3.104 1.00 0.00 N ATOM 372 CA LEU A 25 -7.501 -4.420 -3.537 1.00 0.00 C ATOM 373 C LEU A 25 -7.735 -3.656 -4.843 1.00 0.00 C ATOM 374 O LEU A 25 -7.255 -2.532 -5.019 1.00 0.00 O ATOM 375 CB LEU A 25 -6.393 -5.486 -3.688 1.00 0.00 C ATOM 376 CG LEU A 25 -5.064 -5.023 -4.327 1.00 0.00 C ATOM 377 CD1 LEU A 25 -3.889 -5.832 -3.775 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.116 -5.155 -5.852 1.00 0.00 C ATOM 0 H LEU A 25 -8.653 -6.075 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.179 -3.695 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.173 -5.889 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.790 -6.306 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.920 -3.973 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.963 -5.491 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.828 -5.694 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.038 -6.888 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.169 -4.823 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.290 -6.197 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.926 -4.539 -6.243 1.00 0.00 H new ATOM 390 N GLU A 26 -8.497 -4.273 -5.740 1.00 0.00 N ATOM 391 CA GLU A 26 -8.824 -3.685 -7.036 1.00 0.00 C ATOM 392 C GLU A 26 -9.546 -2.350 -6.829 1.00 0.00 C ATOM 393 O GLU A 26 -9.096 -1.304 -7.298 1.00 0.00 O ATOM 394 CB GLU A 26 -9.704 -4.672 -7.833 1.00 0.00 C ATOM 395 CG GLU A 26 -9.551 -4.606 -9.351 1.00 0.00 C ATOM 396 CD GLU A 26 -10.098 -3.332 -9.970 1.00 0.00 C ATOM 397 OE1 GLU A 26 -11.339 -3.210 -10.100 1.00 0.00 O ATOM 398 OE2 GLU A 26 -9.294 -2.463 -10.363 1.00 0.00 O ATOM 0 H GLU A 26 -8.906 -5.195 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.912 -3.495 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.472 -5.685 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.748 -4.486 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.495 -4.697 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.060 -5.462 -9.795 1.00 0.00 H new ATOM 405 N ALA A 27 -10.640 -2.393 -6.078 1.00 0.00 N ATOM 406 CA ALA A 27 -11.469 -1.216 -5.839 1.00 0.00 C ATOM 407 C ALA A 27 -10.726 -0.153 -5.027 1.00 0.00 C ATOM 408 O ALA A 27 -10.850 1.046 -5.293 1.00 0.00 O ATOM 409 CB ALA A 27 -12.760 -1.617 -5.133 1.00 0.00 C ATOM 0 H ALA A 27 -10.977 -3.240 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.711 -0.779 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.370 -0.731 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.311 -2.322 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.522 -2.086 -4.178 1.00 0.00 H new ATOM 415 N PHE A 28 -9.949 -0.595 -4.039 1.00 0.00 N ATOM 416 CA PHE A 28 -9.265 0.322 -3.130 1.00 0.00 C ATOM 417 C PHE A 28 -8.187 1.117 -3.866 1.00 0.00 C ATOM 418 O PHE A 28 -8.029 2.320 -3.639 1.00 0.00 O ATOM 419 CB PHE A 28 -8.651 -0.439 -1.943 1.00 0.00 C ATOM 420 CG PHE A 28 -8.121 0.465 -0.852 1.00 0.00 C ATOM 421 CD1 PHE A 28 -8.978 0.998 0.102 1.00 0.00 C ATOM 422 CD2 PHE A 28 -6.771 0.784 -0.781 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.500 1.828 1.101 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.290 1.613 0.216 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.155 2.135 1.157 1.00 0.00 C ATOM 0 H PHE A 28 -9.778 -1.582 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.005 1.023 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.405 -1.103 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.840 -1.069 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.031 0.762 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.088 0.380 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.178 2.235 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.238 1.852 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.780 2.783 1.936 1.00 0.00 H new ATOM 435 N THR A 29 -7.449 0.450 -4.753 1.00 0.00 N ATOM 436 CA THR A 29 -6.420 1.127 -5.535 1.00 0.00 C ATOM 437 C THR A 29 -7.058 2.193 -6.426 1.00 0.00 C ATOM 438 O THR A 29 -6.583 3.327 -6.488 1.00 0.00 O ATOM 439 CB THR A 29 -5.590 0.133 -6.391 1.00 0.00 C ATOM 440 OG1 THR A 29 -6.456 -0.716 -7.158 1.00 0.00 O ATOM 441 CG2 THR A 29 -4.680 -0.723 -5.515 1.00 0.00 C ATOM 0 H THR A 29 -7.544 -0.547 -4.945 1.00 0.00 H new ATOM 0 HA THR A 29 -5.733 1.603 -4.836 1.00 0.00 H new ATOM 0 HB THR A 29 -4.969 0.720 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.373 -0.637 -6.821 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.111 -1.409 -6.143 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.993 -0.079 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.285 -1.293 -4.810 1.00 0.00 H new ATOM 449 N ARG A 30 -8.159 1.825 -7.081 1.00 0.00 N ATOM 450 CA ARG A 30 -8.928 2.758 -7.910 1.00 0.00 C ATOM 451 C ARG A 30 -9.313 3.996 -7.105 1.00 0.00 C ATOM 452 O ARG A 30 -9.195 5.129 -7.583 1.00 0.00 O ATOM 453 CB ARG A 30 -10.191 2.069 -8.440 1.00 0.00 C ATOM 454 CG ARG A 30 -9.900 0.871 -9.333 1.00 0.00 C ATOM 455 CD ARG A 30 -11.125 -0.016 -9.522 1.00 0.00 C ATOM 456 NE ARG A 30 -12.222 0.662 -10.214 1.00 0.00 N ATOM 457 CZ ARG A 30 -13.273 0.027 -10.734 1.00 0.00 C ATOM 458 NH1 ARG A 30 -13.358 -1.298 -10.663 1.00 0.00 N ATOM 459 NH2 ARG A 30 -14.230 0.717 -11.334 1.00 0.00 N ATOM 0 H ARG A 30 -8.542 0.880 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.307 3.067 -8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.799 1.744 -7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.783 2.794 -8.999 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.553 1.220 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.091 0.283 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.840 -0.904 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.474 -0.357 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.180 1.677 -10.304 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.617 -1.833 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.164 -1.779 -11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.163 1.733 -11.398 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.035 0.233 -11.732 1.00 0.00 H new ATOM 473 N PHE A 31 -9.771 3.765 -5.875 1.00 0.00 N ATOM 474 CA PHE A 31 -10.151 4.845 -4.970 1.00 0.00 C ATOM 475 C PHE A 31 -8.970 5.780 -4.717 1.00 0.00 C ATOM 476 O PHE A 31 -9.094 6.998 -4.828 1.00 0.00 O ATOM 477 CB PHE A 31 -10.664 4.267 -3.640 1.00 0.00 C ATOM 478 CG PHE A 31 -10.937 5.310 -2.577 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.040 6.149 -2.670 1.00 0.00 C ATOM 480 CD2 PHE A 31 -10.087 5.452 -1.486 1.00 0.00 C ATOM 481 CE1 PHE A 31 -12.288 7.103 -1.699 1.00 0.00 C ATOM 482 CE2 PHE A 31 -10.332 6.404 -0.515 1.00 0.00 C ATOM 483 CZ PHE A 31 -11.434 7.231 -0.622 1.00 0.00 C ATOM 0 H PHE A 31 -9.888 2.831 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.950 5.420 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -11.580 3.708 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.930 3.557 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -12.712 6.056 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.224 4.810 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.150 7.748 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.663 6.502 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.627 7.976 0.136 1.00 0.00 H new ATOM 493 N LEU A 32 -7.819 5.202 -4.402 1.00 0.00 N ATOM 494 CA LEU A 32 -6.644 5.987 -4.033 1.00 0.00 C ATOM 495 C LEU A 32 -5.993 6.621 -5.273 1.00 0.00 C ATOM 496 O LEU A 32 -5.116 7.482 -5.155 1.00 0.00 O ATOM 497 CB LEU A 32 -5.642 5.101 -3.272 1.00 0.00 C ATOM 498 CG LEU A 32 -4.626 5.857 -2.401 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.344 6.701 -1.349 1.00 0.00 C ATOM 500 CD2 LEU A 32 -3.656 4.883 -1.737 1.00 0.00 C ATOM 0 H LEU A 32 -7.672 4.193 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.957 6.800 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.200 4.413 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.096 4.495 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.053 6.525 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.608 7.229 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.993 7.424 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.944 6.053 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.945 5.438 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.212 4.188 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.117 4.326 -2.504 1.00 0.00 H new ATOM 512 N LYS A 33 -6.432 6.193 -6.459 1.00 0.00 N ATOM 513 CA LYS A 33 -5.929 6.748 -7.718 1.00 0.00 C ATOM 514 C LYS A 33 -6.801 7.908 -8.210 1.00 0.00 C ATOM 515 O LYS A 33 -6.422 8.619 -9.145 1.00 0.00 O ATOM 516 CB LYS A 33 -5.839 5.653 -8.799 1.00 0.00 C ATOM 517 CG LYS A 33 -4.740 4.623 -8.544 1.00 0.00 C ATOM 518 CD LYS A 33 -4.694 3.552 -9.632 1.00 0.00 C ATOM 519 CE LYS A 33 -3.571 2.543 -9.393 1.00 0.00 C ATOM 520 NZ LYS A 33 -2.218 3.153 -9.536 1.00 0.00 N ATOM 0 H LYS A 33 -7.135 5.463 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.929 7.137 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.798 5.139 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.665 6.124 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.775 5.128 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.905 4.149 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.650 3.029 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.554 4.027 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.672 2.121 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.671 1.718 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.632 2.557 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.307 4.102 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.769 3.226 -8.601 1.00 0.00 H new ATOM 534 N THR A 34 -7.959 8.114 -7.579 1.00 0.00 N ATOM 535 CA THR A 34 -8.839 9.222 -7.958 1.00 0.00 C ATOM 536 C THR A 34 -8.281 10.542 -7.420 1.00 0.00 C ATOM 537 O THR A 34 -8.678 11.628 -7.842 1.00 0.00 O ATOM 538 CB THR A 34 -10.296 9.014 -7.462 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.197 9.807 -8.250 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.457 9.394 -5.992 1.00 0.00 C ATOM 0 H THR A 34 -8.306 7.537 -6.813 1.00 0.00 H new ATOM 0 HA THR A 34 -8.871 9.255 -9.047 1.00 0.00 H new ATOM 0 HB THR A 34 -10.528 7.954 -7.569 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.775 10.665 -8.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.491 9.233 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.798 8.776 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.198 10.444 -5.857 1.00 0.00 H new ATOM 548 N GLU A 35 -7.348 10.421 -6.481 1.00 0.00 N ATOM 549 CA GLU A 35 -6.641 11.555 -5.910 1.00 0.00 C ATOM 550 C GLU A 35 -5.215 11.121 -5.592 1.00 0.00 C ATOM 551 O GLU A 35 -4.943 10.590 -4.517 1.00 0.00 O ATOM 552 CB GLU A 35 -7.370 12.089 -4.664 1.00 0.00 C ATOM 553 CG GLU A 35 -7.774 11.011 -3.661 1.00 0.00 C ATOM 554 CD GLU A 35 -8.521 11.582 -2.468 1.00 0.00 C ATOM 555 OE1 GLU A 35 -9.718 11.915 -2.614 1.00 0.00 O ATOM 556 OE2 GLU A 35 -7.919 11.714 -1.380 1.00 0.00 O ATOM 0 H GLU A 35 -7.061 9.522 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.613 12.377 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.726 12.812 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.264 12.625 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.401 10.272 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.882 10.490 -3.313 1.00 0.00 H new ATOM 563 N PHE A 36 -4.341 11.314 -6.582 1.00 0.00 N ATOM 564 CA PHE A 36 -2.958 10.811 -6.580 1.00 0.00 C ATOM 565 C PHE A 36 -2.334 10.683 -5.181 1.00 0.00 C ATOM 566 O PHE A 36 -1.636 11.570 -4.697 1.00 0.00 O ATOM 567 CB PHE A 36 -2.066 11.667 -7.504 1.00 0.00 C ATOM 568 CG PHE A 36 -2.177 13.162 -7.292 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.203 13.885 -7.886 1.00 0.00 C ATOM 570 CD2 PHE A 36 -1.252 13.844 -6.511 1.00 0.00 C ATOM 571 CE1 PHE A 36 -3.305 15.249 -7.704 1.00 0.00 C ATOM 572 CE2 PHE A 36 -1.351 15.211 -6.328 1.00 0.00 C ATOM 573 CZ PHE A 36 -2.378 15.914 -6.924 1.00 0.00 C ATOM 0 H PHE A 36 -4.576 11.835 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.013 9.794 -6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.027 11.370 -7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.320 11.442 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.931 13.373 -8.498 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.446 13.300 -6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.110 15.797 -8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.625 15.728 -5.719 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.457 16.982 -6.781 1.00 0.00 H new ATOM 583 N SER A 37 -2.647 9.568 -4.532 1.00 0.00 N ATOM 584 CA SER A 37 -1.985 9.142 -3.304 1.00 0.00 C ATOM 585 C SER A 37 -1.663 7.653 -3.433 1.00 0.00 C ATOM 586 O SER A 37 -1.234 6.993 -2.482 1.00 0.00 O ATOM 587 CB SER A 37 -2.896 9.401 -2.097 1.00 0.00 C ATOM 588 OG SER A 37 -3.356 10.745 -2.085 1.00 0.00 O ATOM 0 H SER A 37 -3.375 8.927 -4.847 1.00 0.00 H new ATOM 0 HA SER A 37 -1.065 9.706 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.748 8.722 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.353 9.190 -1.175 1.00 0.00 H new ATOM 0 HG SER A 37 -3.970 10.887 -2.835 1.00 0.00 H new ATOM 594 N GLU A 38 -1.866 7.157 -4.650 1.00 0.00 N ATOM 595 CA GLU A 38 -1.719 5.745 -4.992 1.00 0.00 C ATOM 596 C GLU A 38 -0.310 5.240 -4.699 1.00 0.00 C ATOM 597 O GLU A 38 -0.120 4.082 -4.318 1.00 0.00 O ATOM 598 CB GLU A 38 -2.046 5.572 -6.480 1.00 0.00 C ATOM 599 CG GLU A 38 -1.251 6.512 -7.383 1.00 0.00 C ATOM 600 CD GLU A 38 -1.695 6.472 -8.836 1.00 0.00 C ATOM 601 OE1 GLU A 38 -1.217 5.600 -9.588 1.00 0.00 O ATOM 602 OE2 GLU A 38 -2.519 7.324 -9.235 1.00 0.00 O ATOM 0 H GLU A 38 -2.143 7.737 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.404 5.157 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.845 4.541 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.111 5.745 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.348 7.531 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.194 6.251 -7.326 1.00 0.00 H new ATOM 609 N GLU A 39 0.661 6.132 -4.845 1.00 0.00 N ATOM 610 CA GLU A 39 2.069 5.786 -4.701 1.00 0.00 C ATOM 611 C GLU A 39 2.370 5.210 -3.315 1.00 0.00 C ATOM 612 O GLU A 39 3.367 4.524 -3.138 1.00 0.00 O ATOM 613 CB GLU A 39 2.962 7.011 -4.970 1.00 0.00 C ATOM 614 CG GLU A 39 2.777 7.627 -6.363 1.00 0.00 C ATOM 615 CD GLU A 39 1.859 8.847 -6.374 1.00 0.00 C ATOM 616 OE1 GLU A 39 0.738 8.771 -5.825 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.263 9.896 -6.924 1.00 0.00 O ATOM 0 H GLU A 39 0.495 7.114 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 39 2.291 5.017 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.753 7.772 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.005 6.720 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.752 7.913 -6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.371 6.871 -7.035 1.00 0.00 H new ATOM 624 N ASN A 40 1.495 5.479 -2.346 1.00 0.00 N ATOM 625 CA ASN A 40 1.688 4.999 -0.972 1.00 0.00 C ATOM 626 C ASN A 40 1.364 3.506 -0.859 1.00 0.00 C ATOM 627 O ASN A 40 2.206 2.698 -0.436 1.00 0.00 O ATOM 628 CB ASN A 40 0.820 5.809 0.007 1.00 0.00 C ATOM 629 CG ASN A 40 1.272 7.255 0.133 1.00 0.00 C ATOM 630 OD1 ASN A 40 2.108 7.589 0.974 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.718 8.125 -0.700 1.00 0.00 N ATOM 0 H ASN A 40 0.645 6.026 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 40 2.737 5.139 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.217 5.785 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.849 5.336 0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.981 9.110 -0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.029 7.810 -1.383 1.00 0.00 H new ATOM 638 N ILE A 41 0.146 3.131 -1.243 1.00 0.00 N ATOM 639 CA ILE A 41 -0.256 1.730 -1.184 1.00 0.00 C ATOM 640 C ILE A 41 0.632 0.899 -2.105 1.00 0.00 C ATOM 641 O ILE A 41 1.126 -0.162 -1.721 1.00 0.00 O ATOM 642 CB ILE A 41 -1.752 1.520 -1.558 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.145 0.042 -1.378 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.044 1.991 -2.983 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.580 -0.269 -1.747 1.00 0.00 C ATOM 0 H ILE A 41 -0.570 3.768 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.135 1.402 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.356 2.126 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.484 -0.575 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.979 -0.242 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.098 1.830 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.812 3.053 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.430 1.427 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.774 -1.330 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.252 0.318 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.749 -0.019 -2.795 1.00 0.00 H new ATOM 657 N GLU A 42 0.873 1.421 -3.305 1.00 0.00 N ATOM 658 CA GLU A 42 1.685 0.732 -4.296 1.00 0.00 C ATOM 659 C GLU A 42 3.164 0.765 -3.905 1.00 0.00 C ATOM 660 O GLU A 42 3.967 -0.012 -4.418 1.00 0.00 O ATOM 661 CB GLU A 42 1.448 1.337 -5.687 1.00 0.00 C ATOM 662 CG GLU A 42 0.002 1.175 -6.159 1.00 0.00 C ATOM 663 CD GLU A 42 -0.268 1.790 -7.525 1.00 0.00 C ATOM 664 OE1 GLU A 42 -0.264 3.030 -7.637 1.00 0.00 O ATOM 665 OE2 GLU A 42 -0.518 1.034 -8.490 1.00 0.00 O ATOM 0 H GLU A 42 0.514 2.325 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 42 1.386 -0.316 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.703 2.396 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.116 0.862 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.243 0.113 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.663 1.632 -5.427 1.00 0.00 H new ATOM 672 N PHE A 43 3.510 1.659 -2.979 1.00 0.00 N ATOM 673 CA PHE A 43 4.847 1.693 -2.389 1.00 0.00 C ATOM 674 C PHE A 43 5.128 0.378 -1.667 1.00 0.00 C ATOM 675 O PHE A 43 6.079 -0.338 -2.000 1.00 0.00 O ATOM 676 CB PHE A 43 4.968 2.882 -1.422 1.00 0.00 C ATOM 677 CG PHE A 43 6.211 2.902 -0.568 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.410 3.395 -1.063 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.171 2.444 0.742 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.540 3.427 -0.268 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.295 2.478 1.538 1.00 0.00 C ATOM 682 CZ PHE A 43 8.482 2.969 1.035 1.00 0.00 C ATOM 0 H PHE A 43 2.877 2.374 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 43 5.586 1.819 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.932 3.804 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.098 2.884 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.461 3.757 -2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.246 2.056 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.469 3.810 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.247 2.120 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.364 2.996 1.658 1.00 0.00 H new ATOM 692 N TRP A 44 4.290 0.033 -0.692 1.00 0.00 N ATOM 693 CA TRP A 44 4.516 -1.211 0.042 1.00 0.00 C ATOM 694 C TRP A 44 4.044 -2.428 -0.758 1.00 0.00 C ATOM 695 O TRP A 44 4.412 -3.560 -0.443 1.00 0.00 O ATOM 696 CB TRP A 44 3.922 -1.184 1.462 1.00 0.00 C ATOM 697 CG TRP A 44 2.441 -0.955 1.564 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.824 0.198 1.950 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.398 -1.908 1.319 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.465 0.021 1.966 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.177 -1.259 1.570 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.380 -3.241 0.902 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.049 -1.900 1.425 1.00 0.00 C ATOM 704 CZ3 TRP A 44 0.163 -3.876 0.758 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.036 -3.205 1.015 1.00 0.00 C ATOM 0 H TRP A 44 3.477 0.574 -0.399 1.00 0.00 H new ATOM 0 HA TRP A 44 5.594 -1.304 0.172 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.155 -2.132 1.948 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.428 -0.403 2.029 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.332 1.116 2.206 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.221 0.728 2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.302 -3.765 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.977 -1.386 1.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.137 -4.908 0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.972 -3.728 0.887 1.00 0.00 H new ATOM 716 N ILE A 45 3.245 -2.202 -1.801 1.00 0.00 N ATOM 717 CA ILE A 45 2.948 -3.266 -2.763 1.00 0.00 C ATOM 718 C ILE A 45 4.214 -3.584 -3.559 1.00 0.00 C ATOM 719 O ILE A 45 4.469 -4.734 -3.916 1.00 0.00 O ATOM 720 CB ILE A 45 1.792 -2.889 -3.729 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.454 -2.831 -2.968 1.00 0.00 C ATOM 722 CG2 ILE A 45 1.703 -3.871 -4.900 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.732 -2.439 -3.830 1.00 0.00 C ATOM 0 H ILE A 45 2.798 -1.307 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 45 2.618 -4.142 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 45 2.005 -1.902 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.259 -3.806 -2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.545 -2.118 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.884 -3.580 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.639 -3.858 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.522 -4.876 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.635 -2.421 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.562 -1.450 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.852 -3.164 -4.635 1.00 0.00 H new ATOM 735 N ALA A 46 5.018 -2.553 -3.812 1.00 0.00 N ATOM 736 CA ALA A 46 6.319 -2.737 -4.445 1.00 0.00 C ATOM 737 C ALA A 46 7.221 -3.570 -3.539 1.00 0.00 C ATOM 738 O ALA A 46 8.069 -4.321 -4.015 1.00 0.00 O ATOM 739 CB ALA A 46 6.963 -1.392 -4.764 1.00 0.00 C ATOM 0 H ALA A 46 4.791 -1.584 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 46 6.179 -3.269 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.932 -1.555 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.319 -0.832 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.099 -0.826 -3.842 1.00 0.00 H new ATOM 745 N CYS A 47 7.028 -3.425 -2.225 1.00 0.00 N ATOM 746 CA CYS A 47 7.729 -4.255 -1.243 1.00 0.00 C ATOM 747 C CYS A 47 7.327 -5.727 -1.396 1.00 0.00 C ATOM 748 O CYS A 47 8.138 -6.629 -1.177 1.00 0.00 O ATOM 749 CB CYS A 47 7.438 -3.768 0.181 1.00 0.00 C ATOM 750 SG CYS A 47 8.266 -4.721 1.478 1.00 0.00 S ATOM 0 H CYS A 47 6.392 -2.740 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 47 8.800 -4.168 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.740 -2.724 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.362 -3.803 0.352 1.00 0.00 H new ATOM 0 HG CYS A 47 9.544 -4.487 1.440 1.00 0.00 H new ATOM 756 N GLU A 48 6.073 -5.965 -1.775 1.00 0.00 N ATOM 757 CA GLU A 48 5.596 -7.317 -2.068 1.00 0.00 C ATOM 758 C GLU A 48 6.310 -7.856 -3.310 1.00 0.00 C ATOM 759 O GLU A 48 6.862 -8.961 -3.299 1.00 0.00 O ATOM 760 CB GLU A 48 4.070 -7.300 -2.269 1.00 0.00 C ATOM 761 CG GLU A 48 3.462 -8.621 -2.737 1.00 0.00 C ATOM 762 CD GLU A 48 3.658 -9.763 -1.751 1.00 0.00 C ATOM 763 OE1 GLU A 48 3.146 -9.673 -0.615 1.00 0.00 O ATOM 764 OE2 GLU A 48 4.296 -10.773 -2.118 1.00 0.00 O ATOM 0 H GLU A 48 5.367 -5.238 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 48 5.821 -7.976 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.599 -7.014 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.824 -6.527 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.395 -8.480 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.906 -8.897 -3.693 1.00 0.00 H new ATOM 771 N ASP A 49 6.330 -7.045 -4.368 1.00 0.00 N ATOM 772 CA ASP A 49 7.047 -7.390 -5.601 1.00 0.00 C ATOM 773 C ASP A 49 8.554 -7.426 -5.357 1.00 0.00 C ATOM 774 O ASP A 49 9.318 -7.950 -6.170 1.00 0.00 O ATOM 775 CB ASP A 49 6.712 -6.402 -6.734 1.00 0.00 C ATOM 776 CG ASP A 49 5.750 -6.986 -7.757 1.00 0.00 C ATOM 777 OD1 ASP A 49 4.523 -6.941 -7.531 1.00 0.00 O ATOM 778 OD2 ASP A 49 6.218 -7.500 -8.797 1.00 0.00 O ATOM 0 H ASP A 49 5.857 -6.142 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 49 6.720 -8.383 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.277 -5.499 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.633 -6.105 -7.236 1.00 0.00 H new ATOM 783 N PHE A 50 8.972 -6.847 -4.242 1.00 0.00 N ATOM 784 CA PHE A 50 10.364 -6.892 -3.815 1.00 0.00 C ATOM 785 C PHE A 50 10.671 -8.253 -3.182 1.00 0.00 C ATOM 786 O PHE A 50 11.702 -8.860 -3.469 1.00 0.00 O ATOM 787 CB PHE A 50 10.639 -5.752 -2.825 1.00 0.00 C ATOM 788 CG PHE A 50 12.041 -5.724 -2.278 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.092 -5.251 -3.051 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.307 -6.163 -0.989 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.375 -5.218 -2.548 1.00 0.00 C ATOM 792 CE2 PHE A 50 13.590 -6.129 -0.483 1.00 0.00 C ATOM 793 CZ PHE A 50 14.625 -5.656 -1.262 1.00 0.00 C ATOM 0 H PHE A 50 8.359 -6.334 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 50 11.015 -6.762 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.437 -4.802 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.940 -5.834 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.903 -4.905 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.501 -6.536 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.185 -4.849 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.784 -6.473 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.630 -5.628 -0.867 1.00 0.00 H new ATOM 803 N LYS A 51 9.749 -8.734 -2.349 1.00 0.00 N ATOM 804 CA LYS A 51 9.913 -10.017 -1.660 1.00 0.00 C ATOM 805 C LYS A 51 10.029 -11.169 -2.658 1.00 0.00 C ATOM 806 O LYS A 51 10.811 -12.100 -2.462 1.00 0.00 O ATOM 807 CB LYS A 51 8.727 -10.287 -0.725 1.00 0.00 C ATOM 808 CG LYS A 51 8.864 -11.587 0.069 1.00 0.00 C ATOM 809 CD LYS A 51 7.536 -12.053 0.654 1.00 0.00 C ATOM 810 CE LYS A 51 6.537 -12.418 -0.437 1.00 0.00 C ATOM 811 NZ LYS A 51 5.263 -12.934 0.124 1.00 0.00 N ATOM 0 H LYS A 51 8.876 -8.253 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 51 10.832 -9.955 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.625 -9.454 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.811 -10.324 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.265 -12.365 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.583 -11.443 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.705 -12.917 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.118 -11.266 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.334 -11.540 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.975 -13.170 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.612 -13.170 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.452 -13.787 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.831 -12.207 0.729 1.00 0.00 H new ATOM 825 N LYS A 52 9.246 -11.099 -3.733 1.00 0.00 N ATOM 826 CA LYS A 52 9.214 -12.164 -4.741 1.00 0.00 C ATOM 827 C LYS A 52 10.449 -12.122 -5.648 1.00 0.00 C ATOM 828 O LYS A 52 10.477 -12.759 -6.706 1.00 0.00 O ATOM 829 CB LYS A 52 7.929 -12.069 -5.582 1.00 0.00 C ATOM 830 CG LYS A 52 7.756 -10.731 -6.291 1.00 0.00 C ATOM 831 CD LYS A 52 6.458 -10.663 -7.094 1.00 0.00 C ATOM 832 CE LYS A 52 6.463 -11.632 -8.268 1.00 0.00 C ATOM 833 NZ LYS A 52 5.213 -11.550 -9.068 1.00 0.00 N ATOM 0 H LYS A 52 8.623 -10.316 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 52 9.223 -13.118 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.933 -12.866 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.069 -12.241 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.767 -9.928 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.602 -10.564 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.615 -10.889 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.312 -9.648 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.318 -11.418 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.589 -12.649 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.260 -12.227 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.398 -11.779 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.105 -10.587 -9.445 1.00 0.00 H new ATOM 847 N SER A 53 11.467 -11.373 -5.236 1.00 0.00 N ATOM 848 CA SER A 53 12.733 -11.334 -5.955 1.00 0.00 C ATOM 849 C SER A 53 13.697 -12.341 -5.338 1.00 0.00 C ATOM 850 O SER A 53 14.445 -12.019 -4.417 1.00 0.00 O ATOM 851 CB SER A 53 13.327 -9.923 -5.912 1.00 0.00 C ATOM 852 OG SER A 53 12.339 -8.958 -6.224 1.00 0.00 O ATOM 0 H SER A 53 11.438 -10.783 -4.404 1.00 0.00 H new ATOM 0 HA SER A 53 12.563 -11.598 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.737 -9.725 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.153 -9.848 -6.620 1.00 0.00 H new ATOM 0 HG SER A 53 11.912 -8.648 -5.398 1.00 0.00 H new ATOM 858 N LYS A 54 13.650 -13.575 -5.828 1.00 0.00 N ATOM 859 CA LYS A 54 14.480 -14.646 -5.280 1.00 0.00 C ATOM 860 C LYS A 54 15.941 -14.490 -5.706 1.00 0.00 C ATOM 861 O LYS A 54 16.820 -15.197 -5.210 1.00 0.00 O ATOM 862 CB LYS A 54 13.913 -16.024 -5.673 1.00 0.00 C ATOM 863 CG LYS A 54 13.559 -16.190 -7.153 1.00 0.00 C ATOM 864 CD LYS A 54 14.788 -16.363 -8.043 1.00 0.00 C ATOM 865 CE LYS A 54 14.400 -16.574 -9.502 1.00 0.00 C ATOM 866 NZ LYS A 54 13.649 -15.415 -10.054 1.00 0.00 N ATOM 0 H LYS A 54 13.049 -13.860 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 54 14.457 -14.575 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.642 -16.788 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.018 -16.213 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.907 -17.056 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.995 -15.319 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.425 -15.483 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.373 -17.214 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.299 -16.739 -10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.792 -17.474 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.553 -15.522 -11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.705 -15.375 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.164 -14.536 -9.844 1.00 0.00 H new ATOM 880 N GLY A 55 16.185 -13.568 -6.633 1.00 0.00 N ATOM 881 CA GLY A 55 17.538 -13.261 -7.049 1.00 0.00 C ATOM 882 C GLY A 55 18.133 -12.136 -6.224 1.00 0.00 C ATOM 883 O GLY A 55 17.611 -11.018 -6.245 1.00 0.00 O ATOM 0 H GLY A 55 15.462 -13.025 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.160 -14.151 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.541 -12.982 -8.103 1.00 0.00 H new ATOM 887 N PRO A 56 19.233 -12.393 -5.489 1.00 0.00 N ATOM 888 CA PRO A 56 19.853 -11.394 -4.604 1.00 0.00 C ATOM 889 C PRO A 56 20.233 -10.118 -5.357 1.00 0.00 C ATOM 890 O PRO A 56 20.223 -9.021 -4.795 1.00 0.00 O ATOM 891 CB PRO A 56 21.107 -12.108 -4.063 1.00 0.00 C ATOM 892 CG PRO A 56 21.333 -13.257 -4.992 1.00 0.00 C ATOM 893 CD PRO A 56 19.970 -13.671 -5.466 1.00 0.00 C ATOM 0 HA PRO A 56 19.174 -11.068 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.967 -11.438 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.954 -12.452 -3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.967 -12.965 -5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.837 -14.079 -4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 56 20.008 -14.135 -6.452 1.00 0.00 H new ATOM 0 HD3 PRO A 56 19.509 -14.393 -4.792 1.00 0.00 H new ATOM 901 N GLN A 57 20.556 -10.273 -6.635 1.00 0.00 N ATOM 902 CA GLN A 57 20.893 -9.138 -7.485 1.00 0.00 C ATOM 903 C GLN A 57 19.638 -8.329 -7.790 1.00 0.00 C ATOM 904 O GLN A 57 19.634 -7.099 -7.687 1.00 0.00 O ATOM 905 CB GLN A 57 21.538 -9.631 -8.783 1.00 0.00 C ATOM 906 CG GLN A 57 22.800 -10.456 -8.558 1.00 0.00 C ATOM 907 CD GLN A 57 23.370 -11.039 -9.840 1.00 0.00 C ATOM 908 OE1 GLN A 57 23.204 -10.336 -10.950 1.00 0.00 O flip ATOM 909 NE2 GLN A 57 23.968 -12.116 -9.829 1.00 0.00 N flip ATOM 0 H GLN A 57 20.592 -11.177 -7.107 1.00 0.00 H new ATOM 0 HA GLN A 57 21.604 -8.498 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 57 20.814 -10.231 -9.334 1.00 0.00 H new ATOM 0 HB3 GLN A 57 21.781 -8.772 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 57 23.556 -9.830 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 57 22.577 -11.267 -7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 57 24.077 -12.630 -8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 57 24.354 -12.494 -10.694 1.00 0.00 H new ATOM 918 N GLN A 58 18.567 -9.040 -8.136 1.00 0.00 N ATOM 919 CA GLN A 58 17.280 -8.421 -8.445 1.00 0.00 C ATOM 920 C GLN A 58 16.787 -7.617 -7.239 1.00 0.00 C ATOM 921 O GLN A 58 16.134 -6.579 -7.389 1.00 0.00 O ATOM 922 CB GLN A 58 16.260 -9.505 -8.830 1.00 0.00 C ATOM 923 CG GLN A 58 14.962 -8.963 -9.423 1.00 0.00 C ATOM 924 CD GLN A 58 15.186 -8.158 -10.697 1.00 0.00 C ATOM 925 OE1 GLN A 58 16.140 -8.396 -11.444 1.00 0.00 O ATOM 926 NE2 GLN A 58 14.296 -7.219 -10.964 1.00 0.00 N ATOM 0 H GLN A 58 18.566 -10.057 -8.210 1.00 0.00 H new ATOM 0 HA GLN A 58 17.398 -7.741 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.720 -10.181 -9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.023 -10.095 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.291 -9.795 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.465 -8.334 -8.684 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.522 -7.053 -10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.383 -6.660 -11.813 1.00 0.00 H new ATOM 935 N ILE A 59 17.120 -8.115 -6.047 1.00 0.00 N ATOM 936 CA ILE A 59 16.839 -7.419 -4.794 1.00 0.00 C ATOM 937 C ILE A 59 17.435 -6.008 -4.812 1.00 0.00 C ATOM 938 O ILE A 59 16.719 -5.021 -4.657 1.00 0.00 O ATOM 939 CB ILE A 59 17.408 -8.212 -3.579 1.00 0.00 C ATOM 940 CG1 ILE A 59 16.601 -9.500 -3.341 1.00 0.00 C ATOM 941 CG2 ILE A 59 17.435 -7.357 -2.314 1.00 0.00 C ATOM 942 CD1 ILE A 59 15.173 -9.260 -2.888 1.00 0.00 C ATOM 0 H ILE A 59 17.591 -9.011 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 59 15.756 -7.346 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 59 18.436 -8.485 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 59 16.586 -10.082 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.112 -10.103 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 59 17.838 -7.943 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.064 -6.482 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 59 16.422 -7.035 -2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.672 -10.217 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.177 -8.706 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 59 14.643 -8.684 -3.647 1.00 0.00 H new ATOM 954 N HIS A 60 18.747 -5.928 -5.037 1.00 0.00 N ATOM 955 CA HIS A 60 19.464 -4.649 -5.010 1.00 0.00 C ATOM 956 C HIS A 60 18.906 -3.681 -6.050 1.00 0.00 C ATOM 957 O HIS A 60 18.768 -2.484 -5.787 1.00 0.00 O ATOM 958 CB HIS A 60 20.968 -4.858 -5.251 1.00 0.00 C ATOM 959 CG HIS A 60 21.695 -5.471 -4.088 1.00 0.00 C ATOM 960 ND1 HIS A 60 21.519 -6.653 -3.454 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 22.749 -4.854 -3.449 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 22.459 -6.729 -2.455 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 23.188 -5.629 -2.476 1.00 0.00 N flip ATOM 0 H HIS A 60 19.337 -6.735 -5.241 1.00 0.00 H new ATOM 0 HA HIS A 60 19.321 -4.217 -4.020 1.00 0.00 H new ATOM 0 HB2 HIS A 60 21.100 -5.495 -6.125 1.00 0.00 H new ATOM 0 HB3 HIS A 60 21.425 -3.897 -5.486 1.00 0.00 H new ATOM 0 HD1 HIS A 60 20.817 -7.359 -3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.153 -3.886 -3.705 1.00 0.00 H new ATOM 0 HE1 HIS A 60 22.581 -7.552 -1.767 1.00 0.00 H new ATOM 972 N LEU A 61 18.578 -4.213 -7.224 1.00 0.00 N ATOM 973 CA LEU A 61 18.086 -3.403 -8.335 1.00 0.00 C ATOM 974 C LEU A 61 16.824 -2.630 -7.946 1.00 0.00 C ATOM 975 O LEU A 61 16.802 -1.395 -7.976 1.00 0.00 O ATOM 976 CB LEU A 61 17.806 -4.297 -9.554 1.00 0.00 C ATOM 977 CG LEU A 61 19.026 -5.058 -10.103 1.00 0.00 C ATOM 978 CD1 LEU A 61 18.625 -5.962 -11.266 1.00 0.00 C ATOM 979 CD2 LEU A 61 20.124 -4.082 -10.527 1.00 0.00 C ATOM 0 H LEU A 61 18.645 -5.209 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 61 18.857 -2.677 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.037 -5.021 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 61 17.395 -3.678 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 61 19.420 -5.689 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.504 -6.489 -11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.885 -6.686 -10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.200 -5.357 -12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.978 -4.640 -10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.742 -3.420 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.436 -3.489 -9.667 1.00 0.00 H new ATOM 991 N LYS A 62 15.779 -3.357 -7.560 1.00 0.00 N ATOM 992 CA LYS A 62 14.496 -2.734 -7.238 1.00 0.00 C ATOM 993 C LYS A 62 14.560 -1.979 -5.909 1.00 0.00 C ATOM 994 O LYS A 62 13.805 -1.030 -5.696 1.00 0.00 O ATOM 995 CB LYS A 62 13.367 -3.779 -7.236 1.00 0.00 C ATOM 996 CG LYS A 62 13.041 -4.310 -8.635 1.00 0.00 C ATOM 997 CD LYS A 62 11.852 -5.273 -8.648 1.00 0.00 C ATOM 998 CE LYS A 62 12.157 -6.576 -7.920 1.00 0.00 C ATOM 999 NZ LYS A 62 11.064 -7.577 -8.081 1.00 0.00 N ATOM 0 H LYS A 62 15.793 -4.372 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 62 14.274 -2.002 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.652 -4.613 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.470 -3.336 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.828 -3.470 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.917 -4.818 -9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.992 -4.792 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.575 -5.492 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.089 -6.994 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.308 -6.372 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.335 -8.465 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.191 -7.211 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.902 -7.754 -9.093 1.00 0.00 H new ATOM 1013 N ALA A 63 15.472 -2.389 -5.029 1.00 0.00 N ATOM 1014 CA ALA A 63 15.672 -1.697 -3.754 1.00 0.00 C ATOM 1015 C ALA A 63 16.160 -0.269 -3.989 1.00 0.00 C ATOM 1016 O ALA A 63 15.614 0.688 -3.433 1.00 0.00 O ATOM 1017 CB ALA A 63 16.664 -2.456 -2.877 1.00 0.00 C ATOM 0 H ALA A 63 16.082 -3.193 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 63 14.714 -1.657 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.798 -1.924 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.282 -3.457 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.622 -2.529 -3.391 1.00 0.00 H new ATOM 1023 N LYS A 64 17.186 -0.133 -4.830 1.00 0.00 N ATOM 1024 CA LYS A 64 17.767 1.173 -5.135 1.00 0.00 C ATOM 1025 C LYS A 64 16.744 2.064 -5.839 1.00 0.00 C ATOM 1026 O LYS A 64 16.681 3.272 -5.593 1.00 0.00 O ATOM 1027 CB LYS A 64 19.022 1.010 -6.008 1.00 0.00 C ATOM 1028 CG LYS A 64 19.759 2.320 -6.294 1.00 0.00 C ATOM 1029 CD LYS A 64 20.326 2.951 -5.021 1.00 0.00 C ATOM 1030 CE LYS A 64 21.012 4.285 -5.306 1.00 0.00 C ATOM 1031 NZ LYS A 64 22.132 4.148 -6.275 1.00 0.00 N ATOM 0 H LYS A 64 17.632 -0.913 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 64 18.054 1.649 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.707 0.320 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 64 18.736 0.552 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.570 2.133 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.077 3.022 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.522 3.102 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.039 2.266 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.280 4.991 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.391 4.703 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.662 5.042 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.767 3.385 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.751 3.922 -7.216 1.00 0.00 H new ATOM 1045 N ALA A 65 15.935 1.454 -6.704 1.00 0.00 N ATOM 1046 CA ALA A 65 14.897 2.176 -7.435 1.00 0.00 C ATOM 1047 C ALA A 65 13.916 2.845 -6.472 1.00 0.00 C ATOM 1048 O ALA A 65 13.675 4.053 -6.551 1.00 0.00 O ATOM 1049 CB ALA A 65 14.161 1.230 -8.377 1.00 0.00 C ATOM 0 H ALA A 65 15.980 0.457 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 65 15.374 2.957 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.390 1.780 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.867 0.803 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.699 0.429 -7.800 1.00 0.00 H new ATOM 1055 N ILE A 66 13.369 2.053 -5.549 1.00 0.00 N ATOM 1056 CA ILE A 66 12.423 2.562 -4.558 1.00 0.00 C ATOM 1057 C ILE A 66 13.105 3.590 -3.652 1.00 0.00 C ATOM 1058 O ILE A 66 12.493 4.578 -3.236 1.00 0.00 O ATOM 1059 CB ILE A 66 11.834 1.412 -3.698 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.137 0.375 -4.597 1.00 0.00 C ATOM 1061 CG2 ILE A 66 10.857 1.960 -2.654 1.00 0.00 C ATOM 1062 CD1 ILE A 66 10.595 -0.827 -3.847 1.00 0.00 C ATOM 0 H ILE A 66 13.566 1.055 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 66 11.604 3.041 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 66 12.654 0.922 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.317 0.861 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.844 0.031 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.457 1.136 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.378 2.657 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.040 2.477 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.119 -1.510 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.413 -1.339 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.863 -0.496 -3.110 1.00 0.00 H new ATOM 1074 N TYR A 67 14.384 3.353 -3.365 1.00 0.00 N ATOM 1075 CA TYR A 67 15.178 4.266 -2.552 1.00 0.00 C ATOM 1076 C TYR A 67 15.146 5.677 -3.137 1.00 0.00 C ATOM 1077 O TYR A 67 14.612 6.597 -2.521 1.00 0.00 O ATOM 1078 CB TYR A 67 16.630 3.763 -2.441 1.00 0.00 C ATOM 1079 CG TYR A 67 17.580 4.727 -1.742 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.651 4.787 -0.353 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.408 5.574 -2.475 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.517 5.660 0.279 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.275 6.447 -1.849 1.00 0.00 C ATOM 1084 CZ TYR A 67 19.326 6.489 -0.473 1.00 0.00 C ATOM 1085 OH TYR A 67 20.190 7.363 0.154 1.00 0.00 O ATOM 0 H TYR A 67 14.893 2.530 -3.687 1.00 0.00 H new ATOM 0 HA TYR A 67 14.744 4.300 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.633 2.815 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.009 3.561 -3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 67 17.020 4.142 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.371 5.547 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.561 5.694 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.910 7.094 -2.435 1.00 0.00 H new ATOM 0 HH TYR A 67 20.687 7.872 -0.520 1.00 0.00 H new ATOM 1095 N GLU A 68 15.688 5.826 -4.341 1.00 0.00 N ATOM 1096 CA GLU A 68 15.849 7.139 -4.964 1.00 0.00 C ATOM 1097 C GLU A 68 14.501 7.811 -5.230 1.00 0.00 C ATOM 1098 O GLU A 68 14.361 9.024 -5.074 1.00 0.00 O ATOM 1099 CB GLU A 68 16.633 7.008 -6.276 1.00 0.00 C ATOM 1100 CG GLU A 68 18.015 6.390 -6.104 1.00 0.00 C ATOM 1101 CD GLU A 68 18.779 6.282 -7.414 1.00 0.00 C ATOM 1102 OE1 GLU A 68 18.642 5.255 -8.109 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.524 7.226 -7.753 1.00 0.00 O ATOM 0 H GLU A 68 16.026 5.049 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 68 16.404 7.767 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.057 6.400 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.739 7.995 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.592 6.991 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.912 5.397 -5.666 1.00 0.00 H new ATOM 1110 N LYS A 69 13.511 7.016 -5.621 1.00 0.00 N ATOM 1111 CA LYS A 69 12.218 7.553 -6.041 1.00 0.00 C ATOM 1112 C LYS A 69 11.320 7.881 -4.841 1.00 0.00 C ATOM 1113 O LYS A 69 10.442 8.741 -4.938 1.00 0.00 O ATOM 1114 CB LYS A 69 11.520 6.561 -6.985 1.00 0.00 C ATOM 1115 CG LYS A 69 10.214 7.082 -7.588 1.00 0.00 C ATOM 1116 CD LYS A 69 9.649 6.124 -8.639 1.00 0.00 C ATOM 1117 CE LYS A 69 8.332 6.629 -9.220 1.00 0.00 C ATOM 1118 NZ LYS A 69 7.810 5.736 -10.291 1.00 0.00 N ATOM 0 H LYS A 69 13.577 5.999 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 69 12.399 8.487 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.204 6.304 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.313 5.641 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.480 7.225 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.387 8.058 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.375 5.997 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.495 5.143 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.592 6.709 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.475 7.631 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.914 6.118 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.503 5.679 -11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.647 4.785 -9.902 1.00 0.00 H new ATOM 1132 N PHE A 70 11.545 7.213 -3.709 1.00 0.00 N ATOM 1133 CA PHE A 70 10.664 7.367 -2.544 1.00 0.00 C ATOM 1134 C PHE A 70 11.446 7.644 -1.255 1.00 0.00 C ATOM 1135 O PHE A 70 11.241 8.672 -0.611 1.00 0.00 O ATOM 1136 CB PHE A 70 9.795 6.113 -2.356 1.00 0.00 C ATOM 1137 CG PHE A 70 8.852 5.834 -3.503 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.674 6.556 -3.644 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.138 4.844 -4.435 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.806 6.299 -4.689 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.272 4.585 -5.481 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.106 5.312 -5.608 1.00 0.00 C ATOM 0 H PHE A 70 12.321 6.566 -3.571 1.00 0.00 H new ATOM 0 HA PHE A 70 10.029 8.230 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.447 5.250 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.213 6.222 -1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.433 7.328 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.048 4.270 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.894 6.869 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.508 3.813 -6.199 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.429 5.110 -6.425 1.00 0.00 H new ATOM 1152 N ILE A 71 12.340 6.727 -0.891 1.00 0.00 N ATOM 1153 CA ILE A 71 13.001 6.761 0.419 1.00 0.00 C ATOM 1154 C ILE A 71 13.928 7.969 0.558 1.00 0.00 C ATOM 1155 O ILE A 71 14.137 8.481 1.662 1.00 0.00 O ATOM 1156 CB ILE A 71 13.808 5.459 0.673 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.887 4.231 0.579 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.512 5.500 2.032 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.748 4.241 1.580 1.00 0.00 C ATOM 0 H ILE A 71 12.626 5.948 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 71 12.211 6.845 1.165 1.00 0.00 H new ATOM 0 HB ILE A 71 14.574 5.381 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.473 4.176 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.482 3.330 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.069 4.575 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.199 6.346 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.770 5.609 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.143 3.343 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.153 4.264 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.128 5.123 1.417 1.00 0.00 H new ATOM 1171 N GLN A 72 14.469 8.424 -0.565 1.00 0.00 N ATOM 1172 CA GLN A 72 15.413 9.535 -0.575 1.00 0.00 C ATOM 1173 C GLN A 72 14.773 10.790 0.019 1.00 0.00 C ATOM 1174 O GLN A 72 13.573 11.025 -0.149 1.00 0.00 O ATOM 1175 CB GLN A 72 15.886 9.810 -2.011 1.00 0.00 C ATOM 1176 CG GLN A 72 16.995 10.852 -2.104 1.00 0.00 C ATOM 1177 CD GLN A 72 18.250 10.429 -1.362 1.00 0.00 C ATOM 1178 OE1 GLN A 72 18.400 10.694 -0.169 1.00 0.00 O ATOM 1179 NE2 GLN A 72 19.160 9.773 -2.065 1.00 0.00 N ATOM 0 H GLN A 72 14.268 8.037 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 72 16.274 9.265 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 72 16.238 8.878 -2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.036 10.143 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.238 11.028 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.637 11.797 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.996 9.574 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 72 20.025 9.467 -1.620 1.00 0.00 H new ATOM 1188 N THR A 73 15.573 11.584 0.727 1.00 0.00 N ATOM 1189 CA THR A 73 15.101 12.843 1.287 1.00 0.00 C ATOM 1190 C THR A 73 14.656 13.778 0.164 1.00 0.00 C ATOM 1191 O THR A 73 13.499 14.206 0.115 1.00 0.00 O ATOM 1192 CB THR A 73 16.194 13.516 2.150 1.00 0.00 C ATOM 1193 OG1 THR A 73 17.447 13.505 1.447 1.00 0.00 O ATOM 1194 CG2 THR A 73 16.348 12.800 3.489 1.00 0.00 C ATOM 0 H THR A 73 16.552 11.375 0.925 1.00 0.00 H new ATOM 0 HA THR A 73 14.249 12.632 1.934 1.00 0.00 H new ATOM 0 HB THR A 73 15.893 14.546 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.135 13.934 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.122 13.292 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.403 12.835 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.629 11.761 3.316 1.00 0.00 H new ATOM 1202 N ASP A 74 15.579 14.078 -0.743 1.00 0.00 N ATOM 1203 CA ASP A 74 15.256 14.818 -1.959 1.00 0.00 C ATOM 1204 C ASP A 74 14.820 13.833 -3.038 1.00 0.00 C ATOM 1205 O ASP A 74 15.636 13.349 -3.827 1.00 0.00 O ATOM 1206 CB ASP A 74 16.458 15.648 -2.431 1.00 0.00 C ATOM 1207 CG ASP A 74 16.180 16.404 -3.726 1.00 0.00 C ATOM 1208 OD1 ASP A 74 15.515 17.463 -3.676 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.639 15.951 -4.798 1.00 0.00 O ATOM 0 H ASP A 74 16.562 13.819 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 74 14.442 15.512 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.732 16.359 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.314 14.989 -2.576 1.00 0.00 H new ATOM 1214 N ALA A 75 13.536 13.498 -3.026 1.00 0.00 N ATOM 1215 CA ALA A 75 12.983 12.499 -3.936 1.00 0.00 C ATOM 1216 C ALA A 75 11.944 13.123 -4.865 1.00 0.00 C ATOM 1217 O ALA A 75 11.304 14.116 -4.511 1.00 0.00 O ATOM 1218 CB ALA A 75 12.366 11.353 -3.136 1.00 0.00 C ATOM 0 H ALA A 75 12.851 13.907 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 75 13.791 12.106 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.955 10.611 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.132 10.889 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.570 11.740 -2.500 1.00 0.00 H new ATOM 1224 N PRO A 76 11.754 12.542 -6.067 1.00 0.00 N ATOM 1225 CA PRO A 76 10.762 13.028 -7.040 1.00 0.00 C ATOM 1226 C PRO A 76 9.323 12.674 -6.644 1.00 0.00 C ATOM 1227 O PRO A 76 8.396 12.835 -7.438 1.00 0.00 O ATOM 1228 CB PRO A 76 11.162 12.303 -8.333 1.00 0.00 C ATOM 1229 CG PRO A 76 11.788 11.033 -7.866 1.00 0.00 C ATOM 1230 CD PRO A 76 12.507 11.377 -6.587 1.00 0.00 C ATOM 0 HA PRO A 76 10.766 14.115 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.295 12.110 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 76 11.860 12.897 -8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.034 10.264 -7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.481 10.641 -8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.494 10.545 -5.883 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.553 11.624 -6.769 1.00 0.00 H new ATOM 1238 N LYS A 77 9.147 12.174 -5.423 1.00 0.00 N ATOM 1239 CA LYS A 77 7.824 11.841 -4.894 1.00 0.00 C ATOM 1240 C LYS A 77 7.706 12.298 -3.441 1.00 0.00 C ATOM 1241 O LYS A 77 6.765 13.008 -3.085 1.00 0.00 O ATOM 1242 CB LYS A 77 7.563 10.326 -4.994 1.00 0.00 C ATOM 1243 CG LYS A 77 7.312 9.799 -6.414 1.00 0.00 C ATOM 1244 CD LYS A 77 5.843 9.939 -6.851 1.00 0.00 C ATOM 1245 CE LYS A 77 5.458 11.370 -7.231 1.00 0.00 C ATOM 1246 NZ LYS A 77 6.181 11.842 -8.443 1.00 0.00 N ATOM 0 H LYS A 77 9.912 11.989 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 77 7.075 12.361 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.418 9.797 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.700 10.080 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.948 10.340 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.603 8.750 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.660 9.283 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.197 9.599 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.384 11.421 -7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.676 12.037 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.597 12.540 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.081 12.282 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.372 11.034 -9.070 1.00 0.00 H new ATOM 1260 N GLU A 78 8.676 11.883 -2.616 1.00 0.00 N ATOM 1261 CA GLU A 78 8.711 12.224 -1.188 1.00 0.00 C ATOM 1262 C GLU A 78 7.526 11.608 -0.440 1.00 0.00 C ATOM 1263 O GLU A 78 6.372 11.986 -0.648 1.00 0.00 O ATOM 1264 CB GLU A 78 8.735 13.747 -0.971 1.00 0.00 C ATOM 1265 CG GLU A 78 9.998 14.429 -1.485 1.00 0.00 C ATOM 1266 CD GLU A 78 10.006 15.923 -1.204 1.00 0.00 C ATOM 1267 OE1 GLU A 78 9.426 16.687 -2.008 1.00 0.00 O ATOM 1268 OE2 GLU A 78 10.583 16.343 -0.176 1.00 0.00 O ATOM 0 H GLU A 78 9.458 11.302 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 78 9.633 11.805 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.870 14.187 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.631 13.953 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.870 13.970 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.085 14.264 -2.559 1.00 0.00 H new ATOM 1275 N VAL A 79 7.822 10.658 0.438 1.00 0.00 N ATOM 1276 CA VAL A 79 6.798 9.991 1.231 1.00 0.00 C ATOM 1277 C VAL A 79 6.826 10.518 2.664 1.00 0.00 C ATOM 1278 O VAL A 79 7.900 10.761 3.219 1.00 0.00 O ATOM 1279 CB VAL A 79 6.999 8.451 1.239 1.00 0.00 C ATOM 1280 CG1 VAL A 79 5.852 7.749 1.969 1.00 0.00 C ATOM 1281 CG2 VAL A 79 7.143 7.917 -0.188 1.00 0.00 C ATOM 0 H VAL A 79 8.771 10.330 0.619 1.00 0.00 H new ATOM 0 HA VAL A 79 5.831 10.206 0.777 1.00 0.00 H new ATOM 0 HB VAL A 79 7.921 8.235 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.019 6.672 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.808 8.100 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.910 7.975 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.283 6.836 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.243 8.152 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.006 8.382 -0.665 1.00 0.00 H new ATOM 1291 N ASN A 80 5.647 10.671 3.268 1.00 0.00 N ATOM 1292 CA ASN A 80 5.529 11.169 4.645 1.00 0.00 C ATOM 1293 C ASN A 80 5.853 10.064 5.659 1.00 0.00 C ATOM 1294 O ASN A 80 5.486 10.152 6.833 1.00 0.00 O ATOM 1295 CB ASN A 80 4.114 11.725 4.890 1.00 0.00 C ATOM 1296 CG ASN A 80 3.793 12.955 4.042 1.00 0.00 C ATOM 1297 OD1 ASN A 80 4.795 13.784 3.768 1.00 0.00 O flip ATOM 1298 ND2 ASN A 80 2.645 13.166 3.646 1.00 0.00 N flip ATOM 0 H ASN A 80 4.754 10.457 2.825 1.00 0.00 H new ATOM 0 HA ASN A 80 6.252 11.973 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.383 10.945 4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.009 11.982 5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.898 12.510 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.442 13.997 3.091 1.00 0.00 H new ATOM 1305 N LEU A 81 6.557 9.037 5.189 1.00 0.00 N ATOM 1306 CA LEU A 81 6.990 7.918 6.019 1.00 0.00 C ATOM 1307 C LEU A 81 7.898 8.392 7.160 1.00 0.00 C ATOM 1308 O LEU A 81 8.666 9.344 6.993 1.00 0.00 O ATOM 1309 CB LEU A 81 7.723 6.903 5.121 1.00 0.00 C ATOM 1310 CG LEU A 81 8.523 5.800 5.832 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.596 4.883 6.610 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.353 5.002 4.825 1.00 0.00 C ATOM 0 H LEU A 81 6.845 8.958 4.214 1.00 0.00 H new ATOM 0 HA LEU A 81 6.121 7.448 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.986 6.426 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.405 7.453 4.473 1.00 0.00 H new ATOM 0 HG LEU A 81 9.206 6.273 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.182 4.109 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.054 5.463 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.886 4.418 5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.912 4.226 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.691 4.541 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.048 5.670 4.316 1.00 0.00 H new ATOM 1324 N ASP A 82 7.782 7.732 8.315 1.00 0.00 N ATOM 1325 CA ASP A 82 8.634 8.013 9.478 1.00 0.00 C ATOM 1326 C ASP A 82 10.108 8.090 9.079 1.00 0.00 C ATOM 1327 O ASP A 82 10.639 7.177 8.437 1.00 0.00 O ATOM 1328 CB ASP A 82 8.432 6.933 10.555 1.00 0.00 C ATOM 1329 CG ASP A 82 9.512 6.943 11.634 1.00 0.00 C ATOM 1330 OD1 ASP A 82 9.858 8.033 12.135 1.00 0.00 O ATOM 1331 OD2 ASP A 82 10.031 5.855 11.972 1.00 0.00 O ATOM 0 H ASP A 82 7.099 6.991 8.472 1.00 0.00 H new ATOM 0 HA ASP A 82 8.343 8.982 9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.459 7.076 11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.415 5.953 10.078 1.00 0.00 H new ATOM 1336 N PHE A 83 10.761 9.178 9.477 1.00 0.00 N ATOM 1337 CA PHE A 83 12.147 9.431 9.107 1.00 0.00 C ATOM 1338 C PHE A 83 13.064 8.342 9.653 1.00 0.00 C ATOM 1339 O PHE A 83 14.016 7.939 8.989 1.00 0.00 O ATOM 1340 CB PHE A 83 12.596 10.808 9.616 1.00 0.00 C ATOM 1341 CG PHE A 83 14.007 11.169 9.219 1.00 0.00 C ATOM 1342 CD1 PHE A 83 14.302 11.516 7.908 1.00 0.00 C ATOM 1343 CD2 PHE A 83 15.038 11.153 10.149 1.00 0.00 C ATOM 1344 CE1 PHE A 83 15.592 11.843 7.535 1.00 0.00 C ATOM 1345 CE2 PHE A 83 16.328 11.478 9.781 1.00 0.00 C ATOM 1346 CZ PHE A 83 16.606 11.824 8.472 1.00 0.00 C ATOM 0 H PHE A 83 10.346 9.904 10.061 1.00 0.00 H new ATOM 0 HA PHE A 83 12.213 9.421 8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.914 11.567 9.233 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.517 10.828 10.703 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.514 11.531 7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.828 10.883 11.173 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.807 12.113 6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.120 11.462 10.515 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.615 12.079 8.183 1.00 0.00 H new ATOM 1356 N HIS A 84 12.769 7.857 10.857 1.00 0.00 N ATOM 1357 CA HIS A 84 13.572 6.797 11.465 1.00 0.00 C ATOM 1358 C HIS A 84 13.428 5.499 10.675 1.00 0.00 C ATOM 1359 O HIS A 84 14.385 4.736 10.541 1.00 0.00 O ATOM 1360 CB HIS A 84 13.184 6.577 12.931 1.00 0.00 C ATOM 1361 CG HIS A 84 13.900 5.427 13.577 1.00 0.00 C ATOM 1362 ND1 HIS A 84 15.270 5.390 13.753 1.00 0.00 N ATOM 1363 CD2 HIS A 84 13.426 4.263 14.085 1.00 0.00 C ATOM 1364 CE1 HIS A 84 15.603 4.255 14.340 1.00 0.00 C ATOM 1365 NE2 HIS A 84 14.506 3.556 14.551 1.00 0.00 N ATOM 0 H HIS A 84 11.987 8.177 11.428 1.00 0.00 H new ATOM 0 HA HIS A 84 14.616 7.110 11.438 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.394 7.487 13.494 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.109 6.405 12.992 1.00 0.00 H new ATOM 0 HD1 HIS A 84 15.921 6.124 13.474 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.393 3.951 14.117 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.605 3.951 14.603 1.00 0.00 H new ATOM 1374 N THR A 85 12.232 5.250 10.151 1.00 0.00 N ATOM 1375 CA THR A 85 12.011 4.103 9.280 1.00 0.00 C ATOM 1376 C THR A 85 12.845 4.251 8.005 1.00 0.00 C ATOM 1377 O THR A 85 13.502 3.306 7.559 1.00 0.00 O ATOM 1378 CB THR A 85 10.517 3.954 8.909 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.721 3.901 10.101 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.276 2.695 8.083 1.00 0.00 C ATOM 0 H THR A 85 11.405 5.825 10.314 1.00 0.00 H new ATOM 0 HA THR A 85 12.317 3.207 9.820 1.00 0.00 H new ATOM 0 HB THR A 85 10.231 4.819 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.976 4.636 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.217 2.618 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.859 2.746 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.580 1.820 8.657 1.00 0.00 H new ATOM 1388 N LYS A 86 12.827 5.460 7.443 1.00 0.00 N ATOM 1389 CA LYS A 86 13.635 5.786 6.269 1.00 0.00 C ATOM 1390 C LYS A 86 15.121 5.649 6.603 1.00 0.00 C ATOM 1391 O LYS A 86 15.917 5.218 5.773 1.00 0.00 O ATOM 1392 CB LYS A 86 13.320 7.217 5.792 1.00 0.00 C ATOM 1393 CG LYS A 86 11.864 7.408 5.371 1.00 0.00 C ATOM 1394 CD LYS A 86 11.507 8.875 5.115 1.00 0.00 C ATOM 1395 CE LYS A 86 12.329 9.493 3.989 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.844 10.858 3.637 1.00 0.00 N ATOM 0 H LYS A 86 12.257 6.234 7.785 1.00 0.00 H new ATOM 0 HA LYS A 86 13.393 5.091 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.554 7.919 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.969 7.463 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.673 6.829 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.211 7.010 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.448 8.949 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.663 9.447 6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.376 9.545 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.281 8.852 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.427 11.246 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.853 10.805 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.914 11.477 4.470 1.00 0.00 H new ATOM 1410 N GLU A 87 15.465 5.997 7.840 1.00 0.00 N ATOM 1411 CA GLU A 87 16.837 5.925 8.333 1.00 0.00 C ATOM 1412 C GLU A 87 17.341 4.481 8.327 1.00 0.00 C ATOM 1413 O GLU A 87 18.459 4.201 7.889 1.00 0.00 O ATOM 1414 CB GLU A 87 16.900 6.521 9.748 1.00 0.00 C ATOM 1415 CG GLU A 87 18.269 6.446 10.410 1.00 0.00 C ATOM 1416 CD GLU A 87 18.299 7.164 11.751 1.00 0.00 C ATOM 1417 OE1 GLU A 87 17.721 6.637 12.730 1.00 0.00 O ATOM 1418 OE2 GLU A 87 18.900 8.259 11.832 1.00 0.00 O ATOM 0 H GLU A 87 14.797 6.338 8.531 1.00 0.00 H new ATOM 0 HA GLU A 87 17.485 6.502 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.591 7.565 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.178 6.002 10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.545 5.401 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.015 6.885 9.748 1.00 0.00 H new ATOM 1425 N VAL A 88 16.509 3.562 8.805 1.00 0.00 N ATOM 1426 CA VAL A 88 16.853 2.143 8.793 1.00 0.00 C ATOM 1427 C VAL A 88 17.127 1.683 7.358 1.00 0.00 C ATOM 1428 O VAL A 88 18.103 0.975 7.091 1.00 0.00 O ATOM 1429 CB VAL A 88 15.724 1.273 9.410 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.092 -0.212 9.374 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.420 1.719 10.841 1.00 0.00 C ATOM 0 H VAL A 88 15.594 3.772 9.205 1.00 0.00 H new ATOM 0 HA VAL A 88 17.749 2.016 9.401 1.00 0.00 H new ATOM 0 HB VAL A 88 14.826 1.412 8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.284 -0.798 9.812 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.247 -0.523 8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.007 -0.374 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.626 1.097 11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.317 1.617 11.452 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.100 2.761 10.837 1.00 0.00 H new ATOM 1441 N ILE A 89 16.276 2.129 6.438 1.00 0.00 N ATOM 1442 CA ILE A 89 16.373 1.746 5.034 1.00 0.00 C ATOM 1443 C ILE A 89 17.621 2.350 4.378 1.00 0.00 C ATOM 1444 O ILE A 89 18.319 1.671 3.624 1.00 0.00 O ATOM 1445 CB ILE A 89 15.104 2.176 4.252 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.853 1.539 4.890 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.220 1.787 2.777 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.547 1.966 4.253 1.00 0.00 C ATOM 0 H ILE A 89 15.504 2.763 6.644 1.00 0.00 H new ATOM 0 HA ILE A 89 16.455 0.660 4.998 1.00 0.00 H new ATOM 0 HB ILE A 89 15.009 3.261 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 89 13.938 0.454 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.829 1.795 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.320 2.098 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.088 2.279 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.335 0.706 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.717 1.474 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.436 3.047 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.547 1.685 3.200 1.00 0.00 H new ATOM 1460 N THR A 90 17.916 3.614 4.687 1.00 0.00 N ATOM 1461 CA THR A 90 19.065 4.299 4.094 1.00 0.00 C ATOM 1462 C THR A 90 20.376 3.609 4.477 1.00 0.00 C ATOM 1463 O THR A 90 21.348 3.636 3.721 1.00 0.00 O ATOM 1464 CB THR A 90 19.129 5.793 4.506 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.115 5.919 5.934 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.967 6.585 3.911 1.00 0.00 C ATOM 0 H THR A 90 17.378 4.182 5.342 1.00 0.00 H new ATOM 0 HA THR A 90 18.933 4.247 3.013 1.00 0.00 H new ATOM 0 HB THR A 90 20.061 6.202 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.876 5.058 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.042 7.628 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.005 6.524 2.823 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.024 6.169 4.265 1.00 0.00 H new ATOM 1474 N ASN A 91 20.394 2.988 5.653 1.00 0.00 N ATOM 1475 CA ASN A 91 21.574 2.256 6.118 1.00 0.00 C ATOM 1476 C ASN A 91 21.577 0.825 5.584 1.00 0.00 C ATOM 1477 O ASN A 91 22.632 0.278 5.260 1.00 0.00 O ATOM 1478 CB ASN A 91 21.643 2.250 7.654 1.00 0.00 C ATOM 1479 CG ASN A 91 22.085 3.587 8.228 1.00 0.00 C ATOM 1480 OD1 ASN A 91 23.278 3.833 8.400 1.00 0.00 O ATOM 1481 ND2 ASN A 91 21.136 4.453 8.537 1.00 0.00 N ATOM 0 H ASN A 91 19.607 2.975 6.302 1.00 0.00 H new ATOM 0 HA ASN A 91 22.456 2.768 5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.663 1.993 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.335 1.473 7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 91 21.383 5.360 8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.157 4.214 8.380 1.00 0.00 H new ATOM 1488 N SER A 92 20.394 0.228 5.485 1.00 0.00 N ATOM 1489 CA SER A 92 20.266 -1.164 5.058 1.00 0.00 C ATOM 1490 C SER A 92 20.189 -1.278 3.533 1.00 0.00 C ATOM 1491 O SER A 92 20.162 -2.380 2.997 1.00 0.00 O ATOM 1492 CB SER A 92 19.020 -1.798 5.701 1.00 0.00 C ATOM 1493 OG SER A 92 18.907 -3.182 5.388 1.00 0.00 O ATOM 0 H SER A 92 19.507 0.686 5.695 1.00 0.00 H new ATOM 0 HA SER A 92 21.156 -1.701 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.066 -1.673 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.128 -1.274 5.358 1.00 0.00 H new ATOM 0 HG SER A 92 19.655 -3.450 4.814 1.00 0.00 H new ATOM 1499 N ILE A 93 20.175 -0.142 2.838 1.00 0.00 N ATOM 1500 CA ILE A 93 20.026 -0.128 1.379 1.00 0.00 C ATOM 1501 C ILE A 93 21.124 -0.951 0.686 1.00 0.00 C ATOM 1502 O ILE A 93 20.888 -1.558 -0.359 1.00 0.00 O ATOM 1503 CB ILE A 93 20.027 1.323 0.817 1.00 0.00 C ATOM 1504 CG1 ILE A 93 19.677 1.332 -0.685 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.376 2.002 1.060 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.301 0.771 -0.996 1.00 0.00 C ATOM 0 H ILE A 93 20.265 0.782 3.259 1.00 0.00 H new ATOM 0 HA ILE A 93 19.061 -0.586 1.163 1.00 0.00 H new ATOM 0 HB ILE A 93 19.261 1.888 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.734 2.355 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.426 0.754 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.351 3.015 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.576 2.041 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.164 1.434 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.127 0.810 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.245 -0.263 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.542 1.363 -0.484 1.00 0.00 H new ATOM 1518 N THR A 94 22.317 -0.980 1.279 1.00 0.00 N ATOM 1519 CA THR A 94 23.441 -1.708 0.694 1.00 0.00 C ATOM 1520 C THR A 94 23.243 -3.222 0.846 1.00 0.00 C ATOM 1521 O THR A 94 23.683 -4.003 0.000 1.00 0.00 O ATOM 1522 CB THR A 94 24.790 -1.277 1.328 1.00 0.00 C ATOM 1523 OG1 THR A 94 25.891 -1.841 0.596 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.881 -1.696 2.796 1.00 0.00 C ATOM 0 H THR A 94 22.529 -0.510 2.159 1.00 0.00 H new ATOM 0 HA THR A 94 23.475 -1.462 -0.367 1.00 0.00 H new ATOM 0 HB THR A 94 24.841 -0.189 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.735 -1.559 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.839 -1.377 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.072 -1.230 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.797 -2.780 2.871 1.00 0.00 H new ATOM 1532 N GLN A 95 22.571 -3.623 1.924 1.00 0.00 N ATOM 1533 CA GLN A 95 22.261 -5.027 2.187 1.00 0.00 C ATOM 1534 C GLN A 95 20.868 -5.133 2.805 1.00 0.00 C ATOM 1535 O GLN A 95 20.722 -5.231 4.025 1.00 0.00 O ATOM 1536 CB GLN A 95 23.313 -5.668 3.114 1.00 0.00 C ATOM 1537 CG GLN A 95 24.647 -5.960 2.431 1.00 0.00 C ATOM 1538 CD GLN A 95 24.532 -6.988 1.311 1.00 0.00 C ATOM 1539 OE1 GLN A 95 23.614 -7.937 1.449 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 25.274 -6.936 0.327 1.00 0.00 N flip ATOM 0 H GLN A 95 22.226 -2.983 2.640 1.00 0.00 H new ATOM 0 HA GLN A 95 22.281 -5.571 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.488 -5.005 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.910 -6.598 3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.051 -5.033 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.358 -6.319 3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 95 25.969 -6.194 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 95 25.192 -7.635 -0.411 1.00 0.00 H new ATOM 1549 N PRO A 96 19.820 -5.048 1.966 1.00 0.00 N ATOM 1550 CA PRO A 96 18.433 -5.089 2.430 1.00 0.00 C ATOM 1551 C PRO A 96 17.967 -6.510 2.743 1.00 0.00 C ATOM 1552 O PRO A 96 18.531 -7.490 2.239 1.00 0.00 O ATOM 1553 CB PRO A 96 17.658 -4.502 1.247 1.00 0.00 C ATOM 1554 CG PRO A 96 18.465 -4.870 0.049 1.00 0.00 C ATOM 1555 CD PRO A 96 19.907 -4.887 0.499 1.00 0.00 C ATOM 0 HA PRO A 96 18.289 -4.543 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 96 16.651 -4.915 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.554 -3.421 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.166 -5.845 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.317 -4.150 -0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.459 -5.707 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.421 -3.965 0.228 1.00 0.00 H new ATOM 1563 N THR A 97 16.948 -6.615 3.584 1.00 0.00 N ATOM 1564 CA THR A 97 16.360 -7.898 3.928 1.00 0.00 C ATOM 1565 C THR A 97 15.310 -8.299 2.891 1.00 0.00 C ATOM 1566 O THR A 97 15.063 -7.559 1.938 1.00 0.00 O ATOM 1567 CB THR A 97 15.728 -7.851 5.336 1.00 0.00 C ATOM 1568 OG1 THR A 97 14.796 -6.763 5.417 1.00 0.00 O ATOM 1569 CG2 THR A 97 16.801 -7.687 6.410 1.00 0.00 C ATOM 0 H THR A 97 16.509 -5.817 4.044 1.00 0.00 H new ATOM 0 HA THR A 97 17.153 -8.646 3.931 1.00 0.00 H new ATOM 0 HB THR A 97 15.207 -8.793 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.397 -6.740 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.330 -7.657 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 97 17.493 -8.528 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.347 -6.759 6.240 1.00 0.00 H new ATOM 1577 N LEU A 98 14.696 -9.467 3.088 1.00 0.00 N ATOM 1578 CA LEU A 98 13.730 -10.012 2.133 1.00 0.00 C ATOM 1579 C LEU A 98 12.569 -9.043 1.890 1.00 0.00 C ATOM 1580 O LEU A 98 12.028 -8.974 0.787 1.00 0.00 O ATOM 1581 CB LEU A 98 13.195 -11.364 2.632 1.00 0.00 C ATOM 1582 CG LEU A 98 12.275 -12.114 1.652 1.00 0.00 C ATOM 1583 CD1 LEU A 98 13.006 -12.417 0.343 1.00 0.00 C ATOM 1584 CD2 LEU A 98 11.743 -13.398 2.287 1.00 0.00 C ATOM 0 H LEU A 98 14.852 -10.057 3.906 1.00 0.00 H new ATOM 0 HA LEU A 98 14.247 -10.157 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 98 14.044 -12.005 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.650 -11.199 3.561 1.00 0.00 H new ATOM 0 HG LEU A 98 11.426 -11.471 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 98 12.336 -12.947 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 98 13.325 -11.483 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.879 -13.037 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.095 -13.913 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.578 -14.046 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 98 11.176 -13.152 3.185 1.00 0.00 H new ATOM 1596 N HIS A 99 12.178 -8.304 2.927 1.00 0.00 N ATOM 1597 CA HIS A 99 11.121 -7.300 2.795 1.00 0.00 C ATOM 1598 C HIS A 99 11.695 -5.887 2.841 1.00 0.00 C ATOM 1599 O HIS A 99 11.109 -4.975 2.265 1.00 0.00 O ATOM 1600 CB HIS A 99 10.054 -7.463 3.884 1.00 0.00 C ATOM 1601 CG HIS A 99 9.107 -8.600 3.658 1.00 0.00 C ATOM 1602 ND1 HIS A 99 7.816 -8.424 3.206 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.262 -9.933 3.836 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.220 -9.595 3.119 1.00 0.00 C ATOM 1605 NE2 HIS A 99 8.074 -10.531 3.495 1.00 0.00 N ATOM 0 H HIS A 99 12.574 -8.380 3.864 1.00 0.00 H new ATOM 0 HA HIS A 99 10.651 -7.456 1.824 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.551 -7.605 4.844 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.481 -6.538 3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.154 -10.433 4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.204 -9.762 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.882 -11.532 3.527 1.00 0.00 H new ATOM 1614 N SER A 100 12.824 -5.714 3.545 1.00 0.00 N ATOM 1615 CA SER A 100 13.519 -4.420 3.649 1.00 0.00 C ATOM 1616 C SER A 100 12.568 -3.299 4.092 1.00 0.00 C ATOM 1617 O SER A 100 12.559 -2.897 5.257 1.00 0.00 O ATOM 1618 CB SER A 100 14.185 -4.068 2.308 1.00 0.00 C ATOM 1619 OG SER A 100 14.870 -2.827 2.374 1.00 0.00 O ATOM 0 H SER A 100 13.282 -6.467 4.059 1.00 0.00 H new ATOM 0 HA SER A 100 14.289 -4.514 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.885 -4.856 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.428 -4.025 1.525 1.00 0.00 H new ATOM 0 HG SER A 100 15.283 -2.635 1.506 1.00 0.00 H new ATOM 1625 N PHE A 101 11.746 -2.831 3.157 1.00 0.00 N ATOM 1626 CA PHE A 101 10.771 -1.774 3.406 1.00 0.00 C ATOM 1627 C PHE A 101 9.629 -2.279 4.296 1.00 0.00 C ATOM 1628 O PHE A 101 8.653 -1.566 4.517 1.00 0.00 O ATOM 1629 CB PHE A 101 10.214 -1.262 2.068 1.00 0.00 C ATOM 1630 CG PHE A 101 11.287 -0.940 1.056 1.00 0.00 C ATOM 1631 CD1 PHE A 101 11.899 0.305 1.041 1.00 0.00 C ATOM 1632 CD2 PHE A 101 11.687 -1.889 0.124 1.00 0.00 C ATOM 1633 CE1 PHE A 101 12.888 0.594 0.119 1.00 0.00 C ATOM 1634 CE2 PHE A 101 12.674 -1.602 -0.799 1.00 0.00 C ATOM 1635 CZ PHE A 101 13.276 -0.360 -0.801 1.00 0.00 C ATOM 0 H PHE A 101 11.738 -3.178 2.198 1.00 0.00 H new ATOM 0 HA PHE A 101 11.269 -0.957 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.545 -2.014 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.616 -0.369 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.600 1.056 1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.221 -2.863 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.357 1.567 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.974 -2.349 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.049 -0.135 -1.521 1.00 0.00 H new ATOM 1645 N ASP A 102 9.762 -3.520 4.779 1.00 0.00 N ATOM 1646 CA ASP A 102 8.819 -4.121 5.741 1.00 0.00 C ATOM 1647 C ASP A 102 8.314 -3.105 6.770 1.00 0.00 C ATOM 1648 O ASP A 102 7.107 -2.926 6.941 1.00 0.00 O ATOM 1649 CB ASP A 102 9.503 -5.282 6.478 1.00 0.00 C ATOM 1650 CG ASP A 102 8.603 -5.950 7.513 1.00 0.00 C ATOM 1651 OD1 ASP A 102 8.565 -5.474 8.671 1.00 0.00 O ATOM 1652 OD2 ASP A 102 7.957 -6.966 7.183 1.00 0.00 O ATOM 0 H ASP A 102 10.527 -4.141 4.515 1.00 0.00 H new ATOM 0 HA ASP A 102 7.960 -4.479 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.824 -6.027 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.401 -4.911 6.972 1.00 0.00 H new ATOM 1657 N ALA A 103 9.246 -2.445 7.455 1.00 0.00 N ATOM 1658 CA ALA A 103 8.898 -1.456 8.473 1.00 0.00 C ATOM 1659 C ALA A 103 8.045 -0.335 7.872 1.00 0.00 C ATOM 1660 O ALA A 103 7.082 0.133 8.484 1.00 0.00 O ATOM 1661 CB ALA A 103 10.161 -0.887 9.110 1.00 0.00 C ATOM 0 H ALA A 103 10.249 -2.577 7.323 1.00 0.00 H new ATOM 0 HA ALA A 103 8.311 -1.950 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.887 -0.152 9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.728 -1.693 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.772 -0.409 8.344 1.00 0.00 H new ATOM 1667 N ALA A 104 8.401 0.070 6.656 1.00 0.00 N ATOM 1668 CA ALA A 104 7.691 1.129 5.947 1.00 0.00 C ATOM 1669 C ALA A 104 6.293 0.664 5.545 1.00 0.00 C ATOM 1670 O ALA A 104 5.355 1.463 5.476 1.00 0.00 O ATOM 1671 CB ALA A 104 8.488 1.568 4.722 1.00 0.00 C ATOM 0 H ALA A 104 9.186 -0.325 6.137 1.00 0.00 H new ATOM 0 HA ALA A 104 7.583 1.984 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.948 2.359 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.463 1.941 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.623 0.719 4.052 1.00 0.00 H new ATOM 1677 N GLN A 105 6.168 -0.638 5.294 1.00 0.00 N ATOM 1678 CA GLN A 105 4.890 -1.246 4.936 1.00 0.00 C ATOM 1679 C GLN A 105 3.876 -0.998 6.047 1.00 0.00 C ATOM 1680 O GLN A 105 2.777 -0.503 5.796 1.00 0.00 O ATOM 1681 CB GLN A 105 5.077 -2.759 4.675 1.00 0.00 C ATOM 1682 CG GLN A 105 3.813 -3.512 4.239 1.00 0.00 C ATOM 1683 CD GLN A 105 2.876 -3.856 5.390 1.00 0.00 C ATOM 1684 OE1 GLN A 105 3.308 -4.060 6.525 1.00 0.00 O ATOM 1685 NE2 GLN A 105 1.586 -3.927 5.101 1.00 0.00 N ATOM 0 H GLN A 105 6.946 -1.297 5.333 1.00 0.00 H new ATOM 0 HA GLN A 105 4.513 -0.792 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.839 -2.886 3.906 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.461 -3.223 5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.273 -2.906 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.106 -4.432 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.266 -3.751 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.912 -4.157 5.831 1.00 0.00 H new ATOM 1694 N SER A 106 4.270 -1.323 7.274 1.00 0.00 N ATOM 1695 CA SER A 106 3.412 -1.136 8.440 1.00 0.00 C ATOM 1696 C SER A 106 3.033 0.338 8.601 1.00 0.00 C ATOM 1697 O SER A 106 1.867 0.670 8.838 1.00 0.00 O ATOM 1698 CB SER A 106 4.130 -1.646 9.695 1.00 0.00 C ATOM 1699 OG SER A 106 4.547 -2.997 9.532 1.00 0.00 O ATOM 0 H SER A 106 5.185 -1.720 7.488 1.00 0.00 H new ATOM 0 HA SER A 106 2.494 -1.706 8.298 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.996 -1.017 9.903 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.465 -1.568 10.555 1.00 0.00 H new ATOM 0 HG SER A 106 5.004 -3.299 10.345 1.00 0.00 H new ATOM 1705 N ARG A 107 4.028 1.212 8.448 1.00 0.00 N ATOM 1706 CA ARG A 107 3.827 2.655 8.558 1.00 0.00 C ATOM 1707 C ARG A 107 2.733 3.134 7.601 1.00 0.00 C ATOM 1708 O ARG A 107 1.691 3.632 8.033 1.00 0.00 O ATOM 1709 CB ARG A 107 5.134 3.394 8.253 1.00 0.00 C ATOM 1710 CG ARG A 107 6.244 3.194 9.287 1.00 0.00 C ATOM 1711 CD ARG A 107 5.879 3.793 10.639 1.00 0.00 C ATOM 1712 NE ARG A 107 7.061 4.015 11.478 1.00 0.00 N ATOM 1713 CZ ARG A 107 7.045 4.000 12.811 1.00 0.00 C ATOM 1714 NH1 ARG A 107 5.941 3.656 13.460 1.00 0.00 N ATOM 1715 NH2 ARG A 107 8.141 4.318 13.493 1.00 0.00 N ATOM 0 H ARG A 107 4.990 0.941 8.246 1.00 0.00 H new ATOM 0 HA ARG A 107 3.514 2.873 9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.501 3.067 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.921 4.460 8.172 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.443 2.129 9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.164 3.652 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.359 4.739 10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.187 3.128 11.156 1.00 0.00 H new ATOM 0 HE ARG A 107 7.951 4.192 11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.101 3.402 12.939 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.931 3.645 14.480 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.994 4.574 12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.128 4.306 14.513 1.00 0.00 H new ATOM 1729 N VAL A 108 2.975 2.959 6.304 1.00 0.00 N ATOM 1730 CA VAL A 108 2.065 3.451 5.270 1.00 0.00 C ATOM 1731 C VAL A 108 0.698 2.770 5.369 1.00 0.00 C ATOM 1732 O VAL A 108 -0.342 3.404 5.171 1.00 0.00 O ATOM 1733 CB VAL A 108 2.658 3.230 3.854 1.00 0.00 C ATOM 1734 CG1 VAL A 108 1.700 3.738 2.780 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.023 3.910 3.728 1.00 0.00 C ATOM 0 H VAL A 108 3.798 2.478 5.942 1.00 0.00 H new ATOM 0 HA VAL A 108 1.936 4.521 5.434 1.00 0.00 H new ATOM 0 HB VAL A 108 2.795 2.159 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.137 3.573 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.754 3.201 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.524 4.804 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.422 3.743 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.913 4.981 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.707 3.491 4.466 1.00 0.00 H new ATOM 1745 N TYR A 109 0.715 1.483 5.698 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.506 0.697 5.849 1.00 0.00 C ATOM 1747 C TYR A 109 -1.459 1.352 6.855 1.00 0.00 C ATOM 1748 O TYR A 109 -2.623 1.608 6.537 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.146 -0.738 6.278 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.319 -1.586 6.749 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.718 -1.577 8.084 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.019 -2.400 5.864 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.778 -2.346 8.519 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.083 -3.171 6.294 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.457 -3.141 7.623 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.525 -3.896 8.055 1.00 0.00 O ATOM 0 H TYR A 109 1.572 0.956 5.867 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.023 0.658 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.332 -1.242 5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.590 -0.687 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.188 -0.957 8.791 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.727 -2.430 4.825 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.074 -2.324 9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.619 -3.794 5.594 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.136 -3.332 8.573 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.958 1.641 8.060 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.801 2.206 9.116 1.00 0.00 C ATOM 1768 C GLN A 110 -2.168 3.662 8.806 1.00 0.00 C ATOM 1769 O GLN A 110 -3.237 4.132 9.201 1.00 0.00 O ATOM 1770 CB GLN A 110 -1.131 2.060 10.501 1.00 0.00 C ATOM 1771 CG GLN A 110 0.195 2.802 10.678 1.00 0.00 C ATOM 1772 CD GLN A 110 0.027 4.270 11.041 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -0.952 4.661 11.680 1.00 0.00 O ATOM 1774 NE2 GLN A 110 0.982 5.090 10.640 1.00 0.00 N ATOM 0 H GLN A 110 0.016 1.495 8.326 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.731 1.639 9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.828 2.414 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.962 1.000 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.777 2.308 11.456 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.769 2.728 9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.777 4.728 10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.925 6.085 10.857 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.291 4.359 8.079 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.571 5.729 7.638 1.00 0.00 C ATOM 1785 C LEU A 111 -2.821 5.756 6.760 1.00 0.00 C ATOM 1786 O LEU A 111 -3.713 6.584 6.952 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.377 6.315 6.861 1.00 0.00 C ATOM 1788 CG LEU A 111 0.883 6.611 7.694 1.00 0.00 C ATOM 1789 CD1 LEU A 111 2.024 7.091 6.798 1.00 0.00 C ATOM 1790 CD2 LEU A 111 0.581 7.643 8.781 1.00 0.00 C ATOM 0 H LEU A 111 -0.383 3.999 7.784 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.740 6.340 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.109 5.620 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.698 7.240 6.381 1.00 0.00 H new ATOM 0 HG LEU A 111 1.196 5.686 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.904 7.294 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.260 6.320 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.722 8.002 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.485 7.838 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.239 8.569 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.196 7.259 9.442 1.00 0.00 H new ATOM 1802 N MET A 112 -2.877 4.840 5.795 1.00 0.00 N ATOM 1803 CA MET A 112 -4.026 4.742 4.899 1.00 0.00 C ATOM 1804 C MET A 112 -5.246 4.233 5.658 1.00 0.00 C ATOM 1805 O MET A 112 -6.368 4.670 5.417 1.00 0.00 O ATOM 1806 CB MET A 112 -3.737 3.800 3.722 1.00 0.00 C ATOM 1807 CG MET A 112 -2.531 4.188 2.878 1.00 0.00 C ATOM 1808 SD MET A 112 -2.340 3.126 1.431 1.00 0.00 S ATOM 1809 CE MET A 112 -2.482 1.504 2.179 1.00 0.00 C ATOM 0 H MET A 112 -2.142 4.157 5.614 1.00 0.00 H new ATOM 0 HA MET A 112 -4.224 5.740 4.508 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.583 2.793 4.110 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.617 3.763 3.079 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.634 5.224 2.555 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.630 4.133 3.488 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.013 0.763 1.532 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.985 1.506 3.149 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.535 1.255 2.311 1.00 0.00 H new ATOM 1819 N GLU A 113 -5.020 3.302 6.575 1.00 0.00 N ATOM 1820 CA GLU A 113 -6.106 2.694 7.330 1.00 0.00 C ATOM 1821 C GLU A 113 -6.893 3.760 8.101 1.00 0.00 C ATOM 1822 O GLU A 113 -8.071 3.996 7.826 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.554 1.627 8.289 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.633 0.822 9.006 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.059 -0.224 9.952 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.824 0.103 11.136 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.837 -1.375 9.519 1.00 0.00 O ATOM 0 H GLU A 113 -4.093 2.951 6.814 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.788 2.212 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.917 0.943 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.923 2.113 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.273 1.502 9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.264 0.329 8.266 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.207 4.442 9.017 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.849 5.374 9.948 1.00 0.00 C ATOM 1836 C GLN A 114 -7.700 6.439 9.238 1.00 0.00 C ATOM 1837 O GLN A 114 -8.683 6.927 9.803 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.792 6.050 10.836 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.755 6.868 10.067 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.708 7.512 10.968 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.558 7.702 10.566 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -4.094 7.867 12.187 1.00 0.00 N ATOM 0 H GLN A 114 -5.197 4.366 9.136 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.528 4.785 10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.296 6.702 11.549 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.277 5.284 11.415 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.255 6.222 9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.265 7.647 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -5.053 7.695 12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.431 8.311 12.823 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.335 6.789 8.004 1.00 0.00 N ATOM 1852 CA ASP A 115 -8.033 7.856 7.274 1.00 0.00 C ATOM 1853 C ASP A 115 -8.695 7.334 5.995 1.00 0.00 C ATOM 1854 O ASP A 115 -9.921 7.390 5.850 1.00 0.00 O ATOM 1855 CB ASP A 115 -7.055 8.993 6.933 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.722 10.139 6.179 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -8.414 10.963 6.821 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -7.554 10.229 4.944 1.00 0.00 O ATOM 0 H ASP A 115 -6.568 6.356 7.490 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.821 8.236 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.616 9.377 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.238 8.595 6.331 1.00 0.00 H new ATOM 1863 N SER A 116 -7.881 6.824 5.077 1.00 0.00 N ATOM 1864 CA SER A 116 -8.354 6.416 3.757 1.00 0.00 C ATOM 1865 C SER A 116 -9.338 5.243 3.835 1.00 0.00 C ATOM 1866 O SER A 116 -10.282 5.173 3.048 1.00 0.00 O ATOM 1867 CB SER A 116 -7.161 6.039 2.869 1.00 0.00 C ATOM 1868 OG SER A 116 -6.151 7.032 2.926 1.00 0.00 O ATOM 0 H SER A 116 -6.882 6.682 5.224 1.00 0.00 H new ATOM 0 HA SER A 116 -8.886 7.262 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.752 5.081 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.495 5.914 1.839 1.00 0.00 H new ATOM 0 HG SER A 116 -5.401 6.769 2.353 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.130 4.334 4.792 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.956 3.125 4.889 1.00 0.00 C ATOM 1876 C TYR A 117 -11.410 3.470 5.210 1.00 0.00 C ATOM 1877 O TYR A 117 -12.322 3.069 4.484 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.377 2.167 5.939 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.305 1.036 6.352 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.841 0.156 5.414 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.646 0.853 7.689 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.683 -0.870 5.800 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.485 -0.170 8.078 1.00 0.00 C ATOM 1884 CZ TYR A 117 -12.000 -1.027 7.133 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.834 -2.042 7.521 1.00 0.00 O ATOM 0 H TYR A 117 -8.404 4.410 5.505 1.00 0.00 H new ATOM 0 HA TYR A 117 -9.943 2.627 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.455 1.737 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -9.110 2.741 6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.595 0.277 4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.246 1.524 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.090 -1.545 5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.737 -0.298 9.120 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.761 -2.786 6.887 1.00 0.00 H new ATOM 1895 N THR A 118 -11.630 4.219 6.287 1.00 0.00 N ATOM 1896 CA THR A 118 -12.985 4.597 6.682 1.00 0.00 C ATOM 1897 C THR A 118 -13.648 5.437 5.584 1.00 0.00 C ATOM 1898 O THR A 118 -14.854 5.324 5.336 1.00 0.00 O ATOM 1899 CB THR A 118 -12.994 5.362 8.033 1.00 0.00 C ATOM 1900 OG1 THR A 118 -14.341 5.583 8.479 1.00 0.00 O ATOM 1901 CG2 THR A 118 -12.266 6.699 7.929 1.00 0.00 C ATOM 0 H THR A 118 -10.895 4.574 6.898 1.00 0.00 H new ATOM 0 HA THR A 118 -13.559 3.680 6.818 1.00 0.00 H new ATOM 0 HB THR A 118 -12.468 4.741 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 118 -14.328 6.065 9.332 1.00 0.00 H new ATOM 0 HG21 THR A 118 -12.294 7.205 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.229 6.527 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 118 -12.754 7.322 7.179 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.845 6.254 4.906 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.344 7.093 3.824 1.00 0.00 C ATOM 1911 C ARG A 119 -13.737 6.222 2.630 1.00 0.00 C ATOM 1912 O ARG A 119 -14.736 6.481 1.956 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.286 8.126 3.419 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.822 9.227 2.511 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.763 10.279 2.215 1.00 0.00 C ATOM 1916 NE ARG A 119 -12.322 11.424 1.494 1.00 0.00 N ATOM 1917 CZ ARG A 119 -11.778 11.961 0.403 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -10.661 11.458 -0.103 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -12.344 13.013 -0.170 1.00 0.00 N ATOM 0 H ARG A 119 -11.846 6.351 5.088 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.228 7.630 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.870 8.579 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -11.467 7.615 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.171 8.789 1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.683 9.700 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -11.318 10.620 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.962 9.833 1.625 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.184 11.837 1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.215 10.657 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.248 11.872 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.196 13.412 0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.928 13.424 -1.005 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.952 5.170 2.393 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.252 4.203 1.345 1.00 0.00 C ATOM 1935 C PHE A 120 -14.605 3.557 1.611 1.00 0.00 C ATOM 1936 O PHE A 120 -15.400 3.362 0.696 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.159 3.126 1.262 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.471 2.017 0.285 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.374 2.230 -1.083 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -12.866 0.761 0.735 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -12.662 1.219 -1.980 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.155 -0.252 -0.160 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.053 -0.023 -1.518 1.00 0.00 C ATOM 0 H PHE A 120 -12.101 4.969 2.917 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.285 4.728 0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.219 3.597 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.011 2.695 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.069 3.199 -1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -12.948 0.575 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.581 1.400 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.460 -1.222 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.279 -0.814 -2.218 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.864 3.245 2.876 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.141 2.662 3.277 1.00 0.00 C ATOM 1955 C LEU A 121 -17.290 3.624 2.972 1.00 0.00 C ATOM 1956 O LEU A 121 -18.408 3.201 2.683 1.00 0.00 O ATOM 1957 CB LEU A 121 -16.137 2.327 4.775 1.00 0.00 C ATOM 1958 CG LEU A 121 -15.056 1.338 5.234 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -15.148 1.107 6.741 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.169 0.017 4.474 1.00 0.00 C ATOM 0 H LEU A 121 -14.206 3.386 3.643 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.284 1.743 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -16.016 3.254 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -17.112 1.919 5.040 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.080 1.770 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.375 0.403 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -15.007 2.053 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -16.128 0.699 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.393 -0.667 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.149 -0.425 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.046 0.200 3.406 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.007 4.921 3.047 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.035 5.938 2.837 1.00 0.00 C ATOM 1974 C LYS A 122 -18.042 6.448 1.386 1.00 0.00 C ATOM 1975 O LYS A 122 -18.883 7.274 1.017 1.00 0.00 O ATOM 1976 CB LYS A 122 -17.824 7.104 3.817 1.00 0.00 C ATOM 1977 CG LYS A 122 -19.100 7.875 4.140 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.149 6.961 4.777 1.00 0.00 C ATOM 1979 CE LYS A 122 -21.432 7.705 5.120 1.00 0.00 C ATOM 1980 NZ LYS A 122 -21.209 8.771 6.132 1.00 0.00 N ATOM 0 H LYS A 122 -16.079 5.293 3.251 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.006 5.481 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.401 6.716 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.091 7.792 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -18.870 8.697 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -19.503 8.316 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.378 6.143 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.737 6.515 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.847 8.147 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -22.171 6.998 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -22.126 9.147 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -20.698 8.375 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -20.647 9.538 5.711 1.00 0.00 H new ATOM 1994 N SER A 123 -17.112 5.955 0.567 1.00 0.00 N ATOM 1995 CA SER A 123 -17.010 6.392 -0.827 1.00 0.00 C ATOM 1996 C SER A 123 -18.159 5.826 -1.661 1.00 0.00 C ATOM 1997 O SER A 123 -18.778 4.825 -1.286 1.00 0.00 O ATOM 1998 CB SER A 123 -15.675 5.948 -1.439 1.00 0.00 C ATOM 1999 OG SER A 123 -15.663 4.550 -1.693 1.00 0.00 O ATOM 0 H SER A 123 -16.422 5.256 0.842 1.00 0.00 H new ATOM 0 HA SER A 123 -17.065 7.481 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.500 6.490 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.859 6.204 -0.763 1.00 0.00 H new ATOM 0 HG SER A 123 -15.287 4.080 -0.919 1.00 0.00 H new ATOM 2005 N ASP A 124 -18.422 6.467 -2.801 1.00 0.00 N ATOM 2006 CA ASP A 124 -19.421 5.982 -3.756 1.00 0.00 C ATOM 2007 C ASP A 124 -19.112 4.544 -4.152 1.00 0.00 C ATOM 2008 O ASP A 124 -20.015 3.737 -4.372 1.00 0.00 O ATOM 2009 CB ASP A 124 -19.434 6.862 -5.018 1.00 0.00 C ATOM 2010 CG ASP A 124 -19.741 8.320 -4.724 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -18.816 9.057 -4.327 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -20.907 8.739 -4.891 1.00 0.00 O ATOM 0 H ASP A 124 -17.955 7.327 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 124 -20.400 6.028 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -18.465 6.793 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.176 6.474 -5.716 1.00 0.00 H new ATOM 2017 N ILE A 125 -17.818 4.237 -4.220 1.00 0.00 N ATOM 2018 CA ILE A 125 -17.342 2.918 -4.620 1.00 0.00 C ATOM 2019 C ILE A 125 -17.871 1.832 -3.685 1.00 0.00 C ATOM 2020 O ILE A 125 -18.479 0.859 -4.133 1.00 0.00 O ATOM 2021 CB ILE A 125 -15.791 2.871 -4.649 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -15.245 3.852 -5.705 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -15.288 1.451 -4.913 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -13.733 3.885 -5.793 1.00 0.00 C ATOM 0 H ILE A 125 -17.072 4.896 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 125 -17.720 2.729 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 125 -15.422 3.176 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -15.649 3.582 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -15.607 4.854 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -14.198 1.448 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -15.642 0.787 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -15.665 1.104 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -13.429 4.599 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -13.319 4.186 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -13.362 2.894 -6.053 1.00 0.00 H new ATOM 2036 N TYR A 126 -17.649 2.005 -2.383 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.074 1.006 -1.408 1.00 0.00 C ATOM 2038 C TYR A 126 -19.598 0.958 -1.327 1.00 0.00 C ATOM 2039 O TYR A 126 -20.187 -0.117 -1.216 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.473 1.293 -0.028 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.743 0.198 0.993 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.003 -0.982 0.988 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.738 0.340 1.955 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.247 -1.981 1.909 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.987 -0.656 2.878 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.239 -1.812 2.852 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.489 -2.808 3.769 1.00 0.00 O ATOM 0 H TYR A 126 -17.182 2.819 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 126 -17.710 0.033 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.396 1.425 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -17.876 2.234 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.225 -1.118 0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.326 1.246 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.664 -2.890 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.765 -0.529 3.617 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.736 -3.435 3.785 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.232 2.126 -1.399 1.00 0.00 N ATOM 2058 CA LEU A 127 -21.691 2.210 -1.379 1.00 0.00 C ATOM 2059 C LEU A 127 -22.285 1.480 -2.586 1.00 0.00 C ATOM 2060 O LEU A 127 -23.369 0.894 -2.502 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.145 3.677 -1.356 1.00 0.00 C ATOM 2062 CG LEU A 127 -21.711 4.478 -0.115 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -22.198 5.921 -0.202 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.216 3.814 1.166 1.00 0.00 C ATOM 0 H LEU A 127 -19.759 3.027 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.053 1.725 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -21.756 4.175 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.232 3.705 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 127 -20.621 4.488 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -21.879 6.467 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -21.777 6.394 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.286 5.935 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.897 4.398 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.305 3.763 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -21.807 2.806 1.239 1.00 0.00 H new ATOM 2076 N ASP A 128 -21.555 1.507 -3.699 1.00 0.00 N ATOM 2077 CA ASP A 128 -21.949 0.784 -4.910 1.00 0.00 C ATOM 2078 C ASP A 128 -21.844 -0.722 -4.676 1.00 0.00 C ATOM 2079 O ASP A 128 -22.663 -1.500 -5.166 1.00 0.00 O ATOM 2080 CB ASP A 128 -21.057 1.206 -6.090 1.00 0.00 C ATOM 2081 CG ASP A 128 -21.468 0.570 -7.411 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -22.397 1.094 -8.066 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -20.856 -0.447 -7.812 1.00 0.00 O ATOM 0 H ASP A 128 -20.681 2.025 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 128 -22.983 1.029 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -21.089 2.291 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -20.024 0.937 -5.870 1.00 0.00 H new ATOM 2088 N LEU A 129 -20.833 -1.117 -3.903 1.00 0.00 N ATOM 2089 CA LEU A 129 -20.608 -2.525 -3.563 1.00 0.00 C ATOM 2090 C LEU A 129 -21.570 -2.985 -2.464 1.00 0.00 C ATOM 2091 O LEU A 129 -21.676 -4.178 -2.179 1.00 0.00 O ATOM 2092 CB LEU A 129 -19.157 -2.740 -3.107 1.00 0.00 C ATOM 2093 CG LEU A 129 -18.079 -2.393 -4.148 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -16.678 -2.580 -3.566 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -18.256 -3.230 -5.412 1.00 0.00 C ATOM 0 H LEU A 129 -20.151 -0.477 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 129 -20.794 -3.120 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -18.982 -2.140 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -19.036 -3.784 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 129 -18.196 -1.343 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -15.934 -2.328 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -16.553 -1.928 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -16.547 -3.618 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -17.483 -2.967 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -18.175 -4.288 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -19.237 -3.033 -5.844 1.00 0.00 H new ATOM 2107 N MET A 130 -22.250 -2.027 -1.838 1.00 0.00 N ATOM 2108 CA MET A 130 -23.220 -2.329 -0.789 1.00 0.00 C ATOM 2109 C MET A 130 -24.542 -2.800 -1.390 1.00 0.00 C ATOM 2110 O MET A 130 -24.879 -3.980 -1.306 1.00 0.00 O ATOM 2111 CB MET A 130 -23.461 -1.095 0.099 1.00 0.00 C ATOM 2112 CG MET A 130 -22.302 -0.724 1.024 1.00 0.00 C ATOM 2113 SD MET A 130 -22.313 -1.630 2.593 1.00 0.00 S ATOM 2114 CE MET A 130 -21.798 -3.270 2.084 1.00 0.00 C ATOM 0 H MET A 130 -22.146 -1.033 -2.040 1.00 0.00 H new ATOM 0 HA MET A 130 -22.809 -3.131 -0.176 1.00 0.00 H new ATOM 0 HB2 MET A 130 -23.680 -0.242 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.348 -1.272 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.361 -0.916 0.509 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.340 0.346 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 130 -21.202 -3.726 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 130 -22.678 -3.884 1.892 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.200 -3.198 1.175 1.00 0.00 H new ATOM 2124 N GLU A 131 -25.282 -1.856 -1.989 1.00 0.00 N ATOM 2125 CA GLU A 131 -26.621 -2.096 -2.561 1.00 0.00 C ATOM 2126 C GLU A 131 -27.489 -3.021 -1.688 1.00 0.00 C ATOM 2127 O GLU A 131 -28.433 -3.645 -2.184 1.00 0.00 O ATOM 2128 CB GLU A 131 -26.526 -2.657 -3.995 1.00 0.00 C ATOM 2129 CG GLU A 131 -25.972 -4.079 -4.097 1.00 0.00 C ATOM 2130 CD GLU A 131 -26.189 -4.698 -5.468 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -27.303 -5.211 -5.721 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -25.255 -4.678 -6.298 1.00 0.00 O ATOM 0 H GLU A 131 -24.966 -0.892 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 131 -27.113 -1.124 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -27.519 -2.637 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -25.895 -1.994 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -24.905 -4.065 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -26.447 -4.704 -3.341 1.00 0.00 H new ATOM 2139 N GLY A 132 -27.195 -3.067 -0.387 1.00 0.00 N ATOM 2140 CA GLY A 132 -27.904 -3.959 0.518 1.00 0.00 C ATOM 2141 C GLY A 132 -29.392 -3.681 0.552 1.00 0.00 C ATOM 2142 O GLY A 132 -30.203 -4.543 0.204 1.00 0.00 O ATOM 0 H GLY A 132 -26.474 -2.498 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -27.737 -4.992 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -27.494 -3.854 1.523 1.00 0.00 H new ATOM 2146 N ARG A 133 -29.749 -2.470 0.962 1.00 0.00 N ATOM 2147 CA ARG A 133 -31.144 -2.047 1.004 1.00 0.00 C ATOM 2148 C ARG A 133 -31.284 -0.606 0.497 1.00 0.00 C ATOM 2149 O ARG A 133 -31.192 0.355 1.267 1.00 0.00 O ATOM 2150 CB ARG A 133 -31.714 -2.188 2.428 1.00 0.00 C ATOM 2151 CG ARG A 133 -30.907 -1.456 3.498 1.00 0.00 C ATOM 2152 CD ARG A 133 -31.590 -1.494 4.858 1.00 0.00 C ATOM 2153 NE ARG A 133 -30.887 -0.657 5.834 1.00 0.00 N ATOM 2154 CZ ARG A 133 -31.387 0.464 6.355 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -32.609 0.862 6.031 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -30.662 1.181 7.203 1.00 0.00 N ATOM 0 H ARG A 133 -29.087 -1.759 1.272 1.00 0.00 H new ATOM 0 HA ARG A 133 -31.721 -2.697 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -32.736 -1.810 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -31.763 -3.246 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -29.918 -1.907 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -30.761 -0.419 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -32.620 -1.152 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -31.628 -2.522 5.219 1.00 0.00 H new ATOM 0 HE ARG A 133 -29.957 -0.950 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -33.170 0.310 5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -32.989 1.720 6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -29.723 0.875 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -31.044 2.039 7.602 1.00 0.00 H new ATOM 2170 N PRO A 134 -31.471 -0.434 -0.822 1.00 0.00 N ATOM 2171 CA PRO A 134 -31.694 0.885 -1.428 1.00 0.00 C ATOM 2172 C PRO A 134 -33.147 1.338 -1.262 1.00 0.00 C ATOM 2173 O PRO A 134 -33.784 1.790 -2.216 1.00 0.00 O ATOM 2174 CB PRO A 134 -31.351 0.636 -2.903 1.00 0.00 C ATOM 2175 CG PRO A 134 -31.726 -0.790 -3.136 1.00 0.00 C ATOM 2176 CD PRO A 134 -31.470 -1.513 -1.835 1.00 0.00 C ATOM 0 HA PRO A 134 -31.100 1.677 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -31.908 1.305 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -30.292 0.806 -3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -32.773 -0.874 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -31.134 -1.221 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -32.243 -2.254 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -30.518 -2.043 -1.853 1.00 0.00 H new TER 2184 PRO A 134