USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1031 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 74 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.22) USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 163:sc= 0 (180deg=-0.694) USER MOD Single : A 4 HIS : no HD1:sc= -2.04! C(o=-2!,f=-5.6!) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -2.66! C(o=-3.5!,f=-2.7!) USER MOD Single : A 11 ASN : amide:sc= -0.814 K(o=-0.81,f=-4.6!) USER MOD Single : A 12 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-3.3!) USER MOD Single : A 16 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.92) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.0945 (180deg=-0.734) USER MOD Single : A 21 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.029) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.24) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -2.96! C(o=-3.8!,f=-3!) USER MOD Single : A 34 SER OG : rot 160:sc= 0.371 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.314 F(o=-2.5!,f=-0.31) USER MOD Single : A 38 MET CE :methyl 177:sc= -1.33! (180deg=-1.36!) USER MOD Single : A 39 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.27) USER MOD Single : A 40 THR OG1 : rot 130:sc= -0.756 USER MOD Single : A 46 GLN : amide:sc= -0.0149 K(o=-0.015,f=-0.91) USER MOD Single : A 47 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.35) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.377 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.228 (180deg=-0.995) USER MOD Single : A 56 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.6!) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.172 F(o=-2.5!,f=-0.17) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -150:sc= -2.14 USER MOD Single : A 64 SER OG : rot -29:sc= 0.259 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=0.000429 USER MOD Single : A 71 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-15!) USER MOD Single : A 72 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.19) USER MOD Single : A 73 GLN : amide:sc= -2.73! C(o=-2.7!,f=-4.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.103 USER MOD Single : A 84 THR OG1 : rot -59:sc= -0.416! USER MOD Single : A 88 THR OG1 : rot -78:sc= -1.99! USER MOD Single : A 89 SER OG : rot -39:sc= 1.16 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.1) USER MOD Single : A 100 GLN : amide:sc= -5.75 K(o=-5.8,f=-8.6!) USER MOD Single : A 102 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.71) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.6 F(o=-9!,f=-1.6) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 106 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.4) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 114 GLN : amide:sc= -3.68 K(o=-3.7,f=-9.5!) USER MOD Single : A 115 GLN : amide:sc= -4.68! C(o=-4.7!,f=-4.4!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= -3.45 (180deg=-3.45) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 7.468 10.193 0.375 1.00 0.00 N ATOM 2 CA PRO A 1 8.196 9.368 1.392 1.00 0.00 C ATOM 3 C PRO A 1 7.798 9.833 2.804 1.00 0.00 C ATOM 4 O PRO A 1 7.205 10.876 2.980 1.00 0.00 O ATOM 5 CB PRO A 1 9.712 9.552 1.160 1.00 0.00 C ATOM 6 CG PRO A 1 9.873 10.569 0.022 1.00 0.00 C ATOM 7 CD PRO A 1 8.461 10.905 -0.487 1.00 0.00 C ATOM 0 H2 PRO A 1 6.860 10.867 0.840 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.870 9.597 -0.197 1.00 0.00 H new ATOM 0 HA PRO A 1 7.939 8.313 1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 1 10.200 9.908 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 1 10.180 8.603 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 1 10.378 11.467 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 1 10.484 10.156 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 1 8.291 11.981 -0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 1 8.350 10.598 -1.527 1.00 0.00 H new ATOM 17 N VAL A 2 8.127 9.061 3.805 1.00 0.00 N ATOM 18 CA VAL A 2 7.790 9.437 5.217 1.00 0.00 C ATOM 19 C VAL A 2 8.988 9.087 6.104 1.00 0.00 C ATOM 20 O VAL A 2 9.263 7.936 6.376 1.00 0.00 O ATOM 21 CB VAL A 2 6.541 8.672 5.685 1.00 0.00 C ATOM 22 CG1 VAL A 2 6.370 8.828 7.197 1.00 0.00 C ATOM 23 CG2 VAL A 2 5.305 9.227 4.974 1.00 0.00 C ATOM 0 H VAL A 2 8.621 8.174 3.707 1.00 0.00 H new ATOM 0 HA VAL A 2 7.577 10.504 5.280 1.00 0.00 H new ATOM 0 HB VAL A 2 6.659 7.616 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.483 8.283 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.247 8.428 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.258 9.884 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.420 8.684 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.193 10.285 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.421 9.108 3.897 1.00 0.00 H new ATOM 33 N MET A 3 9.718 10.078 6.533 1.00 0.00 N ATOM 34 CA MET A 3 10.926 9.830 7.374 1.00 0.00 C ATOM 35 C MET A 3 10.595 10.009 8.863 1.00 0.00 C ATOM 36 O MET A 3 9.863 10.901 9.243 1.00 0.00 O ATOM 37 CB MET A 3 12.010 10.845 6.964 1.00 0.00 C ATOM 38 CG MET A 3 11.880 11.160 5.466 1.00 0.00 C ATOM 39 SD MET A 3 13.426 11.886 4.866 1.00 0.00 S ATOM 40 CE MET A 3 13.277 11.350 3.145 1.00 0.00 C ATOM 0 H MET A 3 9.528 11.061 6.336 1.00 0.00 H new ATOM 0 HA MET A 3 11.274 8.808 7.222 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.906 11.759 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.000 10.441 7.177 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.653 10.250 4.910 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.053 11.850 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.958 11.931 2.523 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.530 10.292 3.070 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.253 11.503 2.803 1.00 0.00 H new ATOM 50 N HIS A 4 11.144 9.178 9.708 1.00 0.00 N ATOM 51 CA HIS A 4 10.887 9.303 11.177 1.00 0.00 C ATOM 52 C HIS A 4 12.175 8.931 11.929 1.00 0.00 C ATOM 53 O HIS A 4 12.262 7.858 12.492 1.00 0.00 O ATOM 54 CB HIS A 4 9.770 8.337 11.580 1.00 0.00 C ATOM 55 CG HIS A 4 10.155 6.935 11.197 1.00 0.00 C ATOM 56 ND1 HIS A 4 10.706 6.631 9.963 1.00 0.00 N ATOM 57 CD2 HIS A 4 10.075 5.744 11.876 1.00 0.00 C ATOM 58 CE1 HIS A 4 10.934 5.306 9.936 1.00 0.00 C ATOM 59 NE2 HIS A 4 10.567 4.716 11.077 1.00 0.00 N ATOM 0 H HIS A 4 11.764 8.412 9.444 1.00 0.00 H new ATOM 0 HA HIS A 4 10.589 10.323 11.421 1.00 0.00 H new ATOM 0 HB2 HIS A 4 9.594 8.396 12.654 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.838 8.617 11.088 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.689 5.623 12.877 1.00 0.00 H new ATOM 0 HE1 HIS A 4 11.362 4.782 9.094 1.00 0.00 H new ATOM 0 HE2 HIS A 4 10.633 3.726 11.312 1.00 0.00 H new ATOM 67 N PRO A 5 13.150 9.819 11.907 1.00 0.00 N ATOM 68 CA PRO A 5 14.441 9.567 12.577 1.00 0.00 C ATOM 69 C PRO A 5 14.258 9.536 14.106 1.00 0.00 C ATOM 70 O PRO A 5 14.642 10.443 14.817 1.00 0.00 O ATOM 71 CB PRO A 5 15.354 10.737 12.123 1.00 0.00 C ATOM 72 CG PRO A 5 14.485 11.701 11.260 1.00 0.00 C ATOM 73 CD PRO A 5 13.055 11.117 11.207 1.00 0.00 C ATOM 0 HA PRO A 5 14.873 8.602 12.314 1.00 0.00 H new ATOM 0 HB2 PRO A 5 15.765 11.260 12.987 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.199 10.362 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.475 12.701 11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.898 11.794 10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.339 11.778 11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.719 10.988 10.178 1.00 0.00 H new ATOM 81 N HIS A 6 13.692 8.478 14.612 1.00 0.00 N ATOM 82 CA HIS A 6 13.501 8.359 16.085 1.00 0.00 C ATOM 83 C HIS A 6 12.781 9.595 16.641 1.00 0.00 C ATOM 84 O HIS A 6 11.813 10.073 16.083 1.00 0.00 O ATOM 85 CB HIS A 6 14.872 8.222 16.758 1.00 0.00 C ATOM 86 CG HIS A 6 14.701 7.714 18.165 1.00 0.00 C ATOM 87 ND1 HIS A 6 13.584 7.492 18.931 1.00 0.00 N flip ATOM 88 CD2 HIS A 6 15.782 7.366 18.961 1.00 0.00 C flip ATOM 89 CE1 HIS A 6 13.962 7.013 20.182 1.00 0.00 C flip ATOM 90 NE2 HIS A 6 15.296 6.957 20.147 1.00 0.00 N flip ATOM 0 H HIS A 6 13.351 7.686 14.067 1.00 0.00 H new ATOM 0 HA HIS A 6 12.890 7.480 16.292 1.00 0.00 H new ATOM 0 HB2 HIS A 6 15.500 7.537 16.188 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.380 9.186 16.769 1.00 0.00 H new ATOM 0 HD2 HIS A 6 16.824 7.414 18.680 1.00 0.00 H new ATOM 0 HE1 HIS A 6 13.315 6.744 21.004 1.00 0.00 H new ATOM 0 HE2 HIS A 6 15.876 6.642 20.925 1.00 0.00 H new ATOM 98 N GLY A 7 13.243 10.092 17.757 1.00 0.00 N ATOM 99 CA GLY A 7 12.600 11.275 18.402 1.00 0.00 C ATOM 100 C GLY A 7 12.194 12.337 17.372 1.00 0.00 C ATOM 101 O GLY A 7 11.316 13.138 17.627 1.00 0.00 O ATOM 0 H GLY A 7 14.052 9.723 18.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.719 10.952 18.957 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.289 11.714 19.124 1.00 0.00 H new ATOM 105 N ALA A 8 12.821 12.385 16.228 1.00 0.00 N ATOM 106 CA ALA A 8 12.447 13.437 15.240 1.00 0.00 C ATOM 107 C ALA A 8 10.943 13.321 14.931 1.00 0.00 C ATOM 108 O ALA A 8 10.355 12.296 15.213 1.00 0.00 O ATOM 109 CB ALA A 8 13.262 13.233 13.957 1.00 0.00 C ATOM 0 H ALA A 8 13.566 11.751 15.937 1.00 0.00 H new ATOM 0 HA ALA A 8 12.658 14.427 15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.993 13.999 13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 8 14.325 13.307 14.186 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.047 12.248 13.542 1.00 0.00 H new ATOM 115 N PRO A 9 10.343 14.353 14.354 1.00 0.00 N ATOM 116 CA PRO A 9 8.918 14.301 14.025 1.00 0.00 C ATOM 117 C PRO A 9 8.771 13.508 12.727 1.00 0.00 C ATOM 118 O PRO A 9 9.757 13.243 12.069 1.00 0.00 O ATOM 119 CB PRO A 9 8.509 15.768 13.792 1.00 0.00 C ATOM 120 CG PRO A 9 9.814 16.609 13.765 1.00 0.00 C ATOM 121 CD PRO A 9 10.988 15.630 13.980 1.00 0.00 C ATOM 0 HA PRO A 9 8.308 13.834 14.798 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.965 15.871 12.853 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.845 16.113 14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.917 17.131 12.814 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.799 17.370 14.546 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.586 15.522 13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.658 15.981 14.765 1.00 0.00 H new ATOM 129 N PRO A 10 7.565 13.171 12.364 1.00 0.00 N ATOM 130 CA PRO A 10 7.356 12.444 11.117 1.00 0.00 C ATOM 131 C PRO A 10 7.563 13.382 9.919 1.00 0.00 C ATOM 132 O PRO A 10 6.682 14.136 9.564 1.00 0.00 O ATOM 133 CB PRO A 10 5.885 11.971 11.186 1.00 0.00 C ATOM 134 CG PRO A 10 5.216 12.728 12.367 1.00 0.00 C ATOM 135 CD PRO A 10 6.338 13.445 13.148 1.00 0.00 C ATOM 0 HA PRO A 10 8.051 11.614 10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.368 12.183 10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.834 10.893 11.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.485 13.447 11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.681 12.034 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.147 14.515 13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.422 13.062 14.165 1.00 0.00 H new ATOM 143 N ASN A 11 8.701 13.348 9.285 1.00 0.00 N ATOM 144 CA ASN A 11 8.895 14.253 8.116 1.00 0.00 C ATOM 145 C ASN A 11 8.101 13.694 6.932 1.00 0.00 C ATOM 146 O ASN A 11 8.646 13.124 6.008 1.00 0.00 O ATOM 147 CB ASN A 11 10.387 14.371 7.766 1.00 0.00 C ATOM 148 CG ASN A 11 11.222 14.261 9.044 1.00 0.00 C ATOM 149 OD1 ASN A 11 12.103 13.431 9.141 1.00 0.00 O ATOM 150 ND2 ASN A 11 10.982 15.073 10.037 1.00 0.00 N ATOM 0 H ASN A 11 9.491 12.747 9.518 1.00 0.00 H new ATOM 0 HA ASN A 11 8.535 15.253 8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.670 13.586 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.581 15.323 7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.534 15.010 10.892 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.242 15.771 9.958 1.00 0.00 H new ATOM 157 N HIS A 12 6.806 13.858 6.962 1.00 0.00 N ATOM 158 CA HIS A 12 5.960 13.344 5.851 1.00 0.00 C ATOM 159 C HIS A 12 6.205 14.196 4.610 1.00 0.00 C ATOM 160 O HIS A 12 6.644 15.325 4.708 1.00 0.00 O ATOM 161 CB HIS A 12 4.483 13.425 6.249 1.00 0.00 C ATOM 162 CG HIS A 12 4.156 14.821 6.707 1.00 0.00 C ATOM 163 ND1 HIS A 12 3.649 15.782 5.847 1.00 0.00 N ATOM 164 CD2 HIS A 12 4.257 15.431 7.933 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.468 16.909 6.560 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.823 16.750 7.837 1.00 0.00 N ATOM 0 H HIS A 12 6.298 14.328 7.711 1.00 0.00 H new ATOM 0 HA HIS A 12 6.215 12.305 5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.853 13.153 5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.272 12.712 7.046 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.618 14.959 8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.082 17.830 6.149 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.784 17.446 8.582 1.00 0.00 H new ATOM 174 N ARG A 13 5.944 13.660 3.441 1.00 0.00 N ATOM 175 CA ARG A 13 6.173 14.433 2.175 1.00 0.00 C ATOM 176 C ARG A 13 4.840 14.613 1.431 1.00 0.00 C ATOM 177 O ARG A 13 4.514 13.813 0.578 1.00 0.00 O ATOM 178 CB ARG A 13 7.138 13.641 1.273 1.00 0.00 C ATOM 179 CG ARG A 13 8.601 13.933 1.656 1.00 0.00 C ATOM 180 CD ARG A 13 9.035 13.041 2.834 1.00 0.00 C ATOM 181 NE ARG A 13 10.138 13.712 3.596 1.00 0.00 N ATOM 182 CZ ARG A 13 11.201 14.174 2.991 1.00 0.00 C ATOM 183 NH1 ARG A 13 11.433 13.883 1.740 1.00 0.00 N ATOM 184 NH2 ARG A 13 12.069 14.882 3.661 1.00 0.00 N ATOM 0 H ARG A 13 5.581 12.716 3.307 1.00 0.00 H new ATOM 0 HA ARG A 13 6.594 15.409 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.938 12.574 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.970 13.907 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.250 13.756 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.710 14.983 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.187 12.853 3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.372 12.072 2.465 1.00 0.00 H new ATOM 0 HE ARG A 13 10.057 13.810 4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.782 13.290 1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.265 14.249 1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.916 15.072 4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.900 15.245 3.194 1.00 0.00 H new ATOM 198 N PRO A 14 4.105 15.655 1.753 1.00 0.00 N ATOM 199 CA PRO A 14 2.823 15.912 1.083 1.00 0.00 C ATOM 200 C PRO A 14 3.047 16.082 -0.436 1.00 0.00 C ATOM 201 O PRO A 14 3.447 15.152 -1.107 1.00 0.00 O ATOM 202 CB PRO A 14 2.269 17.176 1.786 1.00 0.00 C ATOM 203 CG PRO A 14 3.200 17.489 2.986 1.00 0.00 C ATOM 204 CD PRO A 14 4.465 16.637 2.801 1.00 0.00 C ATOM 0 HA PRO A 14 2.106 15.095 1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.240 18.018 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.247 17.008 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.449 18.550 3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.708 17.251 3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.314 17.249 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.748 16.140 3.729 1.00 0.00 H new ATOM 212 N TRP A 15 2.801 17.238 -0.987 1.00 0.00 N ATOM 213 CA TRP A 15 3.006 17.434 -2.451 1.00 0.00 C ATOM 214 C TRP A 15 2.377 16.272 -3.220 1.00 0.00 C ATOM 215 O TRP A 15 2.917 15.803 -4.202 1.00 0.00 O ATOM 216 CB TRP A 15 4.504 17.495 -2.757 1.00 0.00 C ATOM 217 CG TRP A 15 4.702 17.871 -4.192 1.00 0.00 C ATOM 218 CD1 TRP A 15 5.145 17.036 -5.160 1.00 0.00 C ATOM 219 CD2 TRP A 15 4.471 19.158 -4.835 1.00 0.00 C ATOM 220 NE1 TRP A 15 5.201 17.728 -6.356 1.00 0.00 N ATOM 221 CE2 TRP A 15 4.795 19.040 -6.208 1.00 0.00 C ATOM 222 CE3 TRP A 15 4.016 20.404 -4.367 1.00 0.00 C ATOM 223 CZ2 TRP A 15 4.673 20.119 -7.084 1.00 0.00 C ATOM 224 CZ3 TRP A 15 3.892 21.492 -5.246 1.00 0.00 C ATOM 225 CH2 TRP A 15 4.220 21.350 -6.601 1.00 0.00 C ATOM 0 H TRP A 15 2.465 18.060 -0.485 1.00 0.00 H new ATOM 0 HA TRP A 15 2.534 18.368 -2.757 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.990 18.224 -2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.968 16.529 -2.555 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.411 15.999 -5.021 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.505 17.319 -7.240 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.760 20.525 -3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.927 20.004 -8.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.542 22.444 -4.876 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.123 22.191 -7.272 1.00 0.00 H new ATOM 236 N GLN A 16 1.238 15.799 -2.783 1.00 0.00 N ATOM 237 CA GLN A 16 0.578 14.664 -3.495 1.00 0.00 C ATOM 238 C GLN A 16 -0.940 14.790 -3.376 1.00 0.00 C ATOM 239 O GLN A 16 -1.670 13.928 -3.821 1.00 0.00 O ATOM 240 CB GLN A 16 1.011 13.340 -2.871 1.00 0.00 C ATOM 241 CG GLN A 16 2.437 13.000 -3.312 1.00 0.00 C ATOM 242 CD GLN A 16 2.865 11.675 -2.680 1.00 0.00 C ATOM 243 OE1 GLN A 16 2.500 10.617 -3.153 1.00 0.00 O ATOM 244 NE2 GLN A 16 3.628 11.687 -1.621 1.00 0.00 N ATOM 0 H GLN A 16 0.738 16.149 -1.966 1.00 0.00 H new ATOM 0 HA GLN A 16 0.870 14.691 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.963 13.407 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.328 12.545 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.486 12.929 -4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.120 13.795 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.935 12.575 -1.223 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.918 10.809 -1.191 1.00 0.00 H new ATOM 253 N MET A 17 -1.423 15.852 -2.785 1.00 0.00 N ATOM 254 CA MET A 17 -2.900 16.029 -2.651 1.00 0.00 C ATOM 255 C MET A 17 -3.572 15.657 -3.974 1.00 0.00 C ATOM 256 O MET A 17 -4.663 15.136 -4.005 1.00 0.00 O ATOM 257 CB MET A 17 -3.205 17.493 -2.325 1.00 0.00 C ATOM 258 CG MET A 17 -2.597 18.393 -3.403 1.00 0.00 C ATOM 259 SD MET A 17 -2.736 20.124 -2.892 1.00 0.00 S ATOM 260 CE MET A 17 -1.177 20.215 -1.977 1.00 0.00 C ATOM 0 H MET A 17 -0.859 16.604 -2.389 1.00 0.00 H new ATOM 0 HA MET A 17 -3.277 15.389 -1.853 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.283 17.648 -2.272 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.797 17.752 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.551 18.132 -3.562 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.111 18.240 -4.352 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.054 21.217 -1.566 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.189 19.488 -1.165 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.347 19.994 -2.649 1.00 0.00 H new ATOM 270 N LYS A 18 -2.909 15.919 -5.062 1.00 0.00 N ATOM 271 CA LYS A 18 -3.494 15.583 -6.393 1.00 0.00 C ATOM 272 C LYS A 18 -3.579 14.063 -6.536 1.00 0.00 C ATOM 273 O LYS A 18 -4.473 13.531 -7.166 1.00 0.00 O ATOM 274 CB LYS A 18 -2.610 16.156 -7.503 1.00 0.00 C ATOM 275 CG LYS A 18 -1.174 15.659 -7.324 1.00 0.00 C ATOM 276 CD LYS A 18 -0.273 16.314 -8.373 1.00 0.00 C ATOM 277 CE LYS A 18 1.172 15.856 -8.165 1.00 0.00 C ATOM 278 NZ LYS A 18 1.223 14.366 -8.142 1.00 0.00 N ATOM 0 H LYS A 18 -1.986 16.352 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.492 16.014 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.991 15.853 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.635 17.245 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.817 15.898 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.138 14.574 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.610 16.046 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.336 17.399 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.805 16.240 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.561 16.258 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.193 14.049 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.932 14.023 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.579 13.985 -8.865 1.00 0.00 H new ATOM 292 N ASP A 19 -2.649 13.366 -5.952 1.00 0.00 N ATOM 293 CA ASP A 19 -2.646 11.880 -6.039 1.00 0.00 C ATOM 294 C ASP A 19 -3.935 11.303 -5.447 1.00 0.00 C ATOM 295 O ASP A 19 -4.819 10.843 -6.150 1.00 0.00 O ATOM 296 CB ASP A 19 -1.459 11.353 -5.231 1.00 0.00 C ATOM 297 CG ASP A 19 -1.373 9.833 -5.382 1.00 0.00 C ATOM 298 OD1 ASP A 19 -1.713 9.343 -6.446 1.00 0.00 O ATOM 299 OD2 ASP A 19 -0.968 9.185 -4.430 1.00 0.00 O ATOM 0 H ASP A 19 -1.882 13.766 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.573 11.582 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.535 11.816 -5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.574 11.619 -4.180 1.00 0.00 H new ATOM 304 N LEU A 20 -4.030 11.299 -4.146 1.00 0.00 N ATOM 305 CA LEU A 20 -5.231 10.725 -3.488 1.00 0.00 C ATOM 306 C LEU A 20 -6.492 11.495 -3.889 1.00 0.00 C ATOM 307 O LEU A 20 -7.540 10.908 -4.073 1.00 0.00 O ATOM 308 CB LEU A 20 -5.053 10.759 -1.963 1.00 0.00 C ATOM 309 CG LEU A 20 -4.897 12.223 -1.461 1.00 0.00 C ATOM 310 CD1 LEU A 20 -6.227 12.742 -0.897 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.839 12.288 -0.350 1.00 0.00 C ATOM 0 H LEU A 20 -3.324 11.670 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.346 9.691 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.913 10.293 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.176 10.177 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.591 12.840 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.100 13.768 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.988 12.714 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.539 12.113 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.737 13.317 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.146 11.655 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.882 11.939 -0.738 1.00 0.00 H new ATOM 323 N GLN A 21 -6.415 12.798 -4.017 1.00 0.00 N ATOM 324 CA GLN A 21 -7.634 13.580 -4.401 1.00 0.00 C ATOM 325 C GLN A 21 -8.348 12.873 -5.553 1.00 0.00 C ATOM 326 O GLN A 21 -9.557 12.770 -5.572 1.00 0.00 O ATOM 327 CB GLN A 21 -7.239 15.000 -4.830 1.00 0.00 C ATOM 328 CG GLN A 21 -8.432 15.702 -5.489 1.00 0.00 C ATOM 329 CD GLN A 21 -8.153 17.202 -5.590 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.316 17.793 -6.638 1.00 0.00 O ATOM 331 NE2 GLN A 21 -7.736 17.848 -4.535 1.00 0.00 N ATOM 0 H GLN A 21 -5.569 13.350 -3.874 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.302 13.646 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.905 15.570 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.402 14.958 -5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.608 15.287 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.336 15.529 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.599 17.352 -3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.547 18.849 -4.591 1.00 0.00 H new ATOM 340 N ALA A 22 -7.614 12.361 -6.501 1.00 0.00 N ATOM 341 CA ALA A 22 -8.281 11.645 -7.622 1.00 0.00 C ATOM 342 C ALA A 22 -8.793 10.309 -7.083 1.00 0.00 C ATOM 343 O ALA A 22 -9.846 9.830 -7.478 1.00 0.00 O ATOM 344 CB ALA A 22 -7.311 11.438 -8.788 1.00 0.00 C ATOM 0 H ALA A 22 -6.596 12.406 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.114 12.234 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.820 10.913 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.962 12.406 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.459 10.848 -8.452 1.00 0.00 H new ATOM 350 N ILE A 23 -8.116 9.727 -6.131 1.00 0.00 N ATOM 351 CA ILE A 23 -8.660 8.471 -5.560 1.00 0.00 C ATOM 352 C ILE A 23 -9.959 8.845 -4.842 1.00 0.00 C ATOM 353 O ILE A 23 -11.026 8.423 -5.241 1.00 0.00 O ATOM 354 CB ILE A 23 -7.662 7.830 -4.590 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.318 7.590 -5.308 1.00 0.00 C ATOM 356 CG2 ILE A 23 -8.211 6.488 -4.112 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.277 7.046 -4.317 1.00 0.00 C ATOM 0 H ILE A 23 -7.236 10.057 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.845 7.736 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.511 8.496 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.456 6.883 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.961 8.521 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.503 6.030 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.163 6.644 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.360 5.830 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.333 6.881 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.128 7.767 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.631 6.104 -3.898 1.00 0.00 H new ATOM 369 N LYS A 24 -9.887 9.655 -3.804 1.00 0.00 N ATOM 370 CA LYS A 24 -11.121 10.094 -3.074 1.00 0.00 C ATOM 371 C LYS A 24 -12.267 10.337 -4.058 1.00 0.00 C ATOM 372 O LYS A 24 -13.343 9.812 -3.892 1.00 0.00 O ATOM 373 CB LYS A 24 -10.804 11.393 -2.308 1.00 0.00 C ATOM 374 CG LYS A 24 -11.724 11.525 -1.087 1.00 0.00 C ATOM 375 CD LYS A 24 -11.386 12.811 -0.330 1.00 0.00 C ATOM 376 CE LYS A 24 -12.088 12.803 1.029 1.00 0.00 C ATOM 377 NZ LYS A 24 -11.782 14.069 1.752 1.00 0.00 N ATOM 0 H LYS A 24 -9.016 10.032 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.429 9.314 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.762 11.391 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.934 12.253 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.767 11.540 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.603 10.662 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.308 12.892 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.701 13.680 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.165 12.700 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.757 11.947 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.259 14.065 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.755 14.149 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.119 14.878 1.192 1.00 0.00 H new ATOM 391 N GLN A 25 -12.060 11.135 -5.066 1.00 0.00 N ATOM 392 CA GLN A 25 -13.161 11.408 -6.040 1.00 0.00 C ATOM 393 C GLN A 25 -13.946 10.114 -6.321 1.00 0.00 C ATOM 394 O GLN A 25 -15.168 10.083 -6.389 1.00 0.00 O ATOM 395 CB GLN A 25 -12.538 11.898 -7.358 1.00 0.00 C ATOM 396 CG GLN A 25 -12.156 13.378 -7.238 1.00 0.00 C ATOM 397 CD GLN A 25 -13.421 14.237 -7.257 1.00 0.00 C ATOM 398 OE1 GLN A 25 -13.885 14.679 -6.225 1.00 0.00 O ATOM 399 NE2 GLN A 25 -14.003 14.495 -8.396 1.00 0.00 N ATOM 0 H GLN A 25 -11.179 11.611 -5.261 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.834 12.159 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.655 11.304 -7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.244 11.761 -8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.603 13.548 -6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.499 13.662 -8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.614 14.124 -9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.847 15.067 -8.419 1.00 0.00 H new ATOM 408 N GLU A 26 -13.211 9.041 -6.507 1.00 0.00 N ATOM 409 CA GLU A 26 -13.840 7.725 -6.827 1.00 0.00 C ATOM 410 C GLU A 26 -14.170 6.889 -5.575 1.00 0.00 C ATOM 411 O GLU A 26 -14.919 5.923 -5.671 1.00 0.00 O ATOM 412 CB GLU A 26 -12.875 6.923 -7.703 1.00 0.00 C ATOM 413 CG GLU A 26 -12.646 7.663 -9.023 1.00 0.00 C ATOM 414 CD GLU A 26 -11.785 6.801 -9.948 1.00 0.00 C ATOM 415 OE1 GLU A 26 -12.287 5.798 -10.430 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.637 7.157 -10.158 1.00 0.00 O ATOM 0 H GLU A 26 -12.193 9.025 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.781 7.933 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.927 6.783 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.282 5.931 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.601 7.884 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.155 8.618 -8.836 1.00 0.00 H new ATOM 423 N VAL A 27 -13.686 7.224 -4.395 1.00 0.00 N ATOM 424 CA VAL A 27 -14.071 6.371 -3.230 1.00 0.00 C ATOM 425 C VAL A 27 -15.538 6.652 -2.957 1.00 0.00 C ATOM 426 O VAL A 27 -16.312 5.797 -2.573 1.00 0.00 O ATOM 427 CB VAL A 27 -13.227 6.681 -1.974 1.00 0.00 C ATOM 428 CG1 VAL A 27 -11.739 6.733 -2.347 1.00 0.00 C ATOM 429 CG2 VAL A 27 -13.666 8.001 -1.309 1.00 0.00 C ATOM 0 H VAL A 27 -13.071 8.013 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.893 5.321 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.387 5.882 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.148 6.952 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.433 5.771 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.577 7.513 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.051 8.187 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.546 8.822 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.712 7.928 -1.012 1.00 0.00 H new ATOM 439 N SER A 28 -15.908 7.889 -3.203 1.00 0.00 N ATOM 440 CA SER A 28 -17.317 8.297 -3.016 1.00 0.00 C ATOM 441 C SER A 28 -18.081 7.558 -4.094 1.00 0.00 C ATOM 442 O SER A 28 -18.757 6.603 -3.819 1.00 0.00 O ATOM 443 CB SER A 28 -17.464 9.810 -3.192 1.00 0.00 C ATOM 444 OG SER A 28 -16.707 10.476 -2.190 1.00 0.00 O ATOM 0 H SER A 28 -15.283 8.628 -3.526 1.00 0.00 H new ATOM 0 HA SER A 28 -17.686 8.062 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.119 10.108 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.514 10.096 -3.121 1.00 0.00 H new ATOM 0 HG SER A 28 -16.798 11.445 -2.301 1.00 0.00 H new ATOM 450 N GLN A 29 -17.936 8.017 -5.325 1.00 0.00 N ATOM 451 CA GLN A 29 -18.594 7.375 -6.522 1.00 0.00 C ATOM 452 C GLN A 29 -19.254 6.032 -6.178 1.00 0.00 C ATOM 453 O GLN A 29 -20.421 5.811 -6.434 1.00 0.00 O ATOM 454 CB GLN A 29 -17.496 7.105 -7.556 1.00 0.00 C ATOM 455 CG GLN A 29 -18.106 6.546 -8.851 1.00 0.00 C ATOM 456 CD GLN A 29 -18.375 5.046 -8.703 1.00 0.00 C ATOM 457 OE1 GLN A 29 -19.608 4.620 -8.659 1.00 0.00 O flip ATOM 458 NE2 GLN A 29 -17.456 4.255 -8.627 1.00 0.00 N flip ATOM 0 H GLN A 29 -17.371 8.835 -5.555 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.370 8.047 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.954 8.026 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.773 6.397 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.035 7.069 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.428 6.721 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.492 4.588 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.648 3.258 -8.529 1.00 0.00 H new ATOM 467 N ALA A 30 -18.490 5.129 -5.605 1.00 0.00 N ATOM 468 CA ALA A 30 -19.038 3.778 -5.245 1.00 0.00 C ATOM 469 C ALA A 30 -19.545 3.741 -3.803 1.00 0.00 C ATOM 470 O ALA A 30 -19.863 4.739 -3.195 1.00 0.00 O ATOM 471 CB ALA A 30 -17.920 2.741 -5.386 1.00 0.00 C ATOM 0 H ALA A 30 -17.507 5.270 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.872 3.561 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.304 1.754 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.560 2.732 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.099 2.998 -4.716 1.00 0.00 H new ATOM 477 N ALA A 31 -19.602 2.566 -3.259 1.00 0.00 N ATOM 478 CA ALA A 31 -20.053 2.398 -1.853 1.00 0.00 C ATOM 479 C ALA A 31 -18.822 2.618 -0.957 1.00 0.00 C ATOM 480 O ALA A 31 -17.716 2.658 -1.457 1.00 0.00 O ATOM 481 CB ALA A 31 -20.616 0.967 -1.687 1.00 0.00 C ATOM 0 H ALA A 31 -19.352 1.699 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.836 3.106 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.952 0.825 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.456 0.825 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.837 0.240 -1.917 1.00 0.00 H new ATOM 487 N PRO A 32 -19.024 2.751 0.331 1.00 0.00 N ATOM 488 CA PRO A 32 -17.895 2.960 1.249 1.00 0.00 C ATOM 489 C PRO A 32 -16.827 1.882 0.989 1.00 0.00 C ATOM 490 O PRO A 32 -16.991 0.736 1.358 1.00 0.00 O ATOM 491 CB PRO A 32 -18.512 2.847 2.663 1.00 0.00 C ATOM 492 CG PRO A 32 -20.058 2.757 2.490 1.00 0.00 C ATOM 493 CD PRO A 32 -20.355 2.702 0.973 1.00 0.00 C ATOM 0 HA PRO A 32 -17.398 3.922 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.131 1.965 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.243 3.712 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.448 1.870 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -20.545 3.619 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.890 1.791 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.977 3.540 0.660 1.00 0.00 H new ATOM 501 N GLY A 33 -15.743 2.234 0.339 1.00 0.00 N ATOM 502 CA GLY A 33 -14.683 1.223 0.047 1.00 0.00 C ATOM 503 C GLY A 33 -15.065 0.452 -1.215 1.00 0.00 C ATOM 504 O GLY A 33 -15.003 0.955 -2.319 1.00 0.00 O ATOM 0 H GLY A 33 -15.549 3.176 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.720 1.716 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.574 0.538 0.888 1.00 0.00 H new ATOM 508 N SER A 34 -15.510 -0.753 -1.037 1.00 0.00 N ATOM 509 CA SER A 34 -15.970 -1.593 -2.177 1.00 0.00 C ATOM 510 C SER A 34 -14.817 -1.860 -3.168 1.00 0.00 C ATOM 511 O SER A 34 -13.766 -1.263 -3.045 1.00 0.00 O ATOM 512 CB SER A 34 -17.124 -0.843 -2.870 1.00 0.00 C ATOM 513 OG SER A 34 -16.759 -0.514 -4.206 1.00 0.00 O ATOM 0 H SER A 34 -15.577 -1.206 -0.126 1.00 0.00 H new ATOM 0 HA SER A 34 -16.310 -2.564 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.021 -1.462 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.363 0.065 -2.316 1.00 0.00 H new ATOM 0 HG SER A 34 -17.567 -0.338 -4.732 1.00 0.00 H new ATOM 519 N PRO A 35 -15.040 -2.741 -4.131 1.00 0.00 N ATOM 520 CA PRO A 35 -14.005 -3.063 -5.138 1.00 0.00 C ATOM 521 C PRO A 35 -13.682 -1.833 -6.015 1.00 0.00 C ATOM 522 O PRO A 35 -12.818 -1.882 -6.866 1.00 0.00 O ATOM 523 CB PRO A 35 -14.625 -4.189 -6.003 1.00 0.00 C ATOM 524 CG PRO A 35 -16.062 -4.456 -5.471 1.00 0.00 C ATOM 525 CD PRO A 35 -16.310 -3.491 -4.290 1.00 0.00 C ATOM 0 HA PRO A 35 -13.068 -3.365 -4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.654 -3.894 -7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.021 -5.094 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.798 -4.294 -6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.164 -5.492 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.142 -2.818 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.562 -4.037 -3.381 1.00 0.00 H new ATOM 533 N GLN A 36 -14.391 -0.751 -5.843 1.00 0.00 N ATOM 534 CA GLN A 36 -14.147 0.455 -6.699 1.00 0.00 C ATOM 535 C GLN A 36 -12.970 1.283 -6.158 1.00 0.00 C ATOM 536 O GLN A 36 -12.114 1.711 -6.907 1.00 0.00 O ATOM 537 CB GLN A 36 -15.424 1.286 -6.714 1.00 0.00 C ATOM 538 CG GLN A 36 -16.410 0.699 -7.734 1.00 0.00 C ATOM 539 CD GLN A 36 -15.952 1.055 -9.149 1.00 0.00 C ATOM 540 OE1 GLN A 36 -14.843 1.723 -9.314 1.00 0.00 O flip ATOM 541 NE2 GLN A 36 -16.609 0.723 -10.116 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.130 -0.646 -5.148 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.886 0.145 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.875 1.296 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.194 2.320 -6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.466 -0.384 -7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.411 1.091 -7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.476 0.201 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.293 0.966 -11.055 1.00 0.00 H new ATOM 550 N PHE A 37 -12.874 1.448 -4.870 1.00 0.00 N ATOM 551 CA PHE A 37 -11.705 2.168 -4.288 1.00 0.00 C ATOM 552 C PHE A 37 -10.497 1.277 -4.562 1.00 0.00 C ATOM 553 O PHE A 37 -9.358 1.649 -4.361 1.00 0.00 O ATOM 554 CB PHE A 37 -11.960 2.422 -2.781 1.00 0.00 C ATOM 555 CG PHE A 37 -10.999 1.647 -1.895 1.00 0.00 C ATOM 556 CD1 PHE A 37 -10.998 0.248 -1.926 1.00 0.00 C ATOM 557 CD2 PHE A 37 -10.123 2.329 -1.038 1.00 0.00 C ATOM 558 CE1 PHE A 37 -10.121 -0.470 -1.105 1.00 0.00 C ATOM 559 CE2 PHE A 37 -9.249 1.610 -0.215 1.00 0.00 C ATOM 560 CZ PHE A 37 -9.247 0.211 -0.249 1.00 0.00 C ATOM 0 H PHE A 37 -13.557 1.114 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.534 3.151 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.863 3.488 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -12.984 2.141 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -11.674 -0.278 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.123 3.409 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.118 -1.550 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.576 2.135 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.571 -0.343 0.385 1.00 0.00 H new ATOM 570 N MET A 38 -10.766 0.133 -5.087 1.00 0.00 N ATOM 571 CA MET A 38 -9.692 -0.810 -5.477 1.00 0.00 C ATOM 572 C MET A 38 -9.327 -0.512 -6.931 1.00 0.00 C ATOM 573 O MET A 38 -8.236 -0.782 -7.374 1.00 0.00 O ATOM 574 CB MET A 38 -10.242 -2.241 -5.309 1.00 0.00 C ATOM 575 CG MET A 38 -10.108 -3.091 -6.588 1.00 0.00 C ATOM 576 SD MET A 38 -10.802 -4.734 -6.287 1.00 0.00 S ATOM 577 CE MET A 38 -10.268 -5.495 -7.839 1.00 0.00 C ATOM 0 H MET A 38 -11.711 -0.203 -5.270 1.00 0.00 H new ATOM 0 HA MET A 38 -8.798 -0.708 -4.862 1.00 0.00 H new ATOM 0 HB2 MET A 38 -9.713 -2.735 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.292 -2.189 -5.022 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.629 -2.609 -7.415 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.060 -3.173 -6.876 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.550 -6.548 -7.844 1.00 0.00 H new ATOM 0 HE2 MET A 38 -10.746 -4.987 -8.677 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.185 -5.409 -7.933 1.00 0.00 H new ATOM 587 N GLN A 39 -10.249 0.029 -7.668 1.00 0.00 N ATOM 588 CA GLN A 39 -9.990 0.338 -9.101 1.00 0.00 C ATOM 589 C GLN A 39 -9.076 1.560 -9.233 1.00 0.00 C ATOM 590 O GLN A 39 -8.160 1.587 -10.030 1.00 0.00 O ATOM 591 CB GLN A 39 -11.327 0.642 -9.777 1.00 0.00 C ATOM 592 CG GLN A 39 -11.135 0.692 -11.291 1.00 0.00 C ATOM 593 CD GLN A 39 -10.861 -0.718 -11.821 1.00 0.00 C ATOM 594 OE1 GLN A 39 -9.728 -1.072 -12.079 1.00 0.00 O ATOM 595 NE2 GLN A 39 -11.858 -1.542 -11.994 1.00 0.00 N ATOM 0 H GLN A 39 -11.182 0.274 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.501 -0.516 -9.571 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.059 -0.123 -9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.719 1.594 -9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.025 1.104 -11.767 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.305 1.353 -11.541 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.809 -1.244 -11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.686 -2.484 -12.346 1.00 0.00 H new ATOM 604 N THR A 40 -9.328 2.578 -8.460 1.00 0.00 N ATOM 605 CA THR A 40 -8.486 3.806 -8.539 1.00 0.00 C ATOM 606 C THR A 40 -7.224 3.606 -7.727 1.00 0.00 C ATOM 607 O THR A 40 -6.166 4.087 -8.085 1.00 0.00 O ATOM 608 CB THR A 40 -9.269 4.991 -8.009 1.00 0.00 C ATOM 609 OG1 THR A 40 -8.402 6.103 -7.867 1.00 0.00 O ATOM 610 CG2 THR A 40 -9.912 4.645 -6.661 1.00 0.00 C ATOM 0 H THR A 40 -10.083 2.614 -7.775 1.00 0.00 H new ATOM 0 HA THR A 40 -8.212 3.998 -9.576 1.00 0.00 H new ATOM 0 HB THR A 40 -10.062 5.240 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.801 6.887 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.471 5.505 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.589 3.800 -6.787 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.134 4.383 -5.943 1.00 0.00 H new ATOM 618 N ILE A 41 -7.291 2.855 -6.693 1.00 0.00 N ATOM 619 CA ILE A 41 -6.041 2.581 -5.934 1.00 0.00 C ATOM 620 C ILE A 41 -5.199 1.673 -6.817 1.00 0.00 C ATOM 621 O ILE A 41 -3.998 1.576 -6.665 1.00 0.00 O ATOM 622 CB ILE A 41 -6.349 1.912 -4.592 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.886 2.975 -3.611 1.00 0.00 C ATOM 624 CG2 ILE A 41 -5.083 1.234 -4.030 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.727 3.656 -2.867 1.00 0.00 C ATOM 0 H ILE A 41 -8.138 2.417 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.511 3.505 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.107 1.141 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.465 3.721 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.562 2.508 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.316 0.762 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.733 0.478 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.304 1.982 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.125 4.403 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.166 2.909 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.067 4.140 -3.587 1.00 0.00 H new ATOM 637 N ARG A 42 -5.816 1.046 -7.773 1.00 0.00 N ATOM 638 CA ARG A 42 -5.038 0.193 -8.696 1.00 0.00 C ATOM 639 C ARG A 42 -4.137 1.104 -9.519 1.00 0.00 C ATOM 640 O ARG A 42 -2.948 0.898 -9.620 1.00 0.00 O ATOM 641 CB ARG A 42 -5.969 -0.550 -9.651 1.00 0.00 C ATOM 642 CG ARG A 42 -5.176 -1.622 -10.399 1.00 0.00 C ATOM 643 CD ARG A 42 -6.116 -2.414 -11.310 1.00 0.00 C ATOM 644 NE ARG A 42 -5.352 -3.501 -11.985 1.00 0.00 N ATOM 645 CZ ARG A 42 -5.988 -4.478 -12.570 1.00 0.00 C ATOM 646 NH1 ARG A 42 -7.292 -4.504 -12.566 1.00 0.00 N ATOM 647 NH2 ARG A 42 -5.318 -5.431 -13.161 1.00 0.00 N ATOM 0 H ARG A 42 -6.819 1.088 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.463 -0.535 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.788 -1.008 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.415 0.149 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.386 -1.158 -10.990 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.691 -2.292 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.934 -2.837 -10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.563 -1.753 -12.053 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.332 -3.481 -11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.816 -3.760 -12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.788 -5.269 -13.024 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.298 -5.411 -13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.815 -6.195 -13.619 1.00 0.00 H new ATOM 661 N LEU A 43 -4.717 2.099 -10.138 1.00 0.00 N ATOM 662 CA LEU A 43 -3.922 3.017 -11.003 1.00 0.00 C ATOM 663 C LEU A 43 -3.125 4.028 -10.174 1.00 0.00 C ATOM 664 O LEU A 43 -2.191 4.619 -10.664 1.00 0.00 O ATOM 665 CB LEU A 43 -4.870 3.778 -11.937 1.00 0.00 C ATOM 666 CG LEU A 43 -5.918 2.821 -12.511 1.00 0.00 C ATOM 667 CD1 LEU A 43 -6.835 3.588 -13.466 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.220 1.690 -13.274 1.00 0.00 C ATOM 0 H LEU A 43 -5.712 2.315 -10.080 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.217 2.413 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.361 4.584 -11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.304 4.239 -12.747 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.507 2.398 -11.697 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.582 2.909 -13.876 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.333 4.392 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.243 4.010 -14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.968 1.010 -13.682 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.630 2.111 -14.088 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.565 1.144 -12.596 1.00 0.00 H new ATOM 680 N ALA A 44 -3.450 4.233 -8.927 1.00 0.00 N ATOM 681 CA ALA A 44 -2.647 5.215 -8.124 1.00 0.00 C ATOM 682 C ALA A 44 -1.431 4.509 -7.516 1.00 0.00 C ATOM 683 O ALA A 44 -0.323 5.007 -7.593 1.00 0.00 O ATOM 684 CB ALA A 44 -3.507 5.839 -7.024 1.00 0.00 C ATOM 0 H ALA A 44 -4.218 3.778 -8.433 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.304 6.014 -8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.908 6.548 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.353 6.358 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.874 5.056 -6.360 1.00 0.00 H new ATOM 690 N VAL A 45 -1.604 3.363 -6.929 1.00 0.00 N ATOM 691 CA VAL A 45 -0.436 2.658 -6.342 1.00 0.00 C ATOM 692 C VAL A 45 0.356 1.963 -7.455 1.00 0.00 C ATOM 693 O VAL A 45 1.545 1.768 -7.348 1.00 0.00 O ATOM 694 CB VAL A 45 -0.928 1.619 -5.330 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.241 0.740 -4.879 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.520 2.335 -4.114 1.00 0.00 C ATOM 0 H VAL A 45 -2.499 2.885 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 45 0.210 3.377 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.690 0.995 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.115 0.003 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.666 0.228 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.006 1.362 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.871 1.597 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.756 2.960 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.356 2.959 -4.430 1.00 0.00 H new ATOM 706 N GLN A 46 -0.282 1.582 -8.526 1.00 0.00 N ATOM 707 CA GLN A 46 0.468 0.892 -9.616 1.00 0.00 C ATOM 708 C GLN A 46 1.169 1.912 -10.519 1.00 0.00 C ATOM 709 O GLN A 46 2.087 1.575 -11.239 1.00 0.00 O ATOM 710 CB GLN A 46 -0.500 0.068 -10.467 1.00 0.00 C ATOM 711 CG GLN A 46 0.300 -0.825 -11.416 1.00 0.00 C ATOM 712 CD GLN A 46 -0.651 -1.758 -12.168 1.00 0.00 C ATOM 713 OE1 GLN A 46 -1.618 -2.238 -11.610 1.00 0.00 O ATOM 714 NE2 GLN A 46 -0.415 -2.036 -13.421 1.00 0.00 N ATOM 0 H GLN A 46 -1.279 1.716 -8.695 1.00 0.00 H new ATOM 0 HA GLN A 46 1.215 0.243 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.138 -0.541 -9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.156 0.728 -11.035 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.859 -0.212 -12.123 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.029 -1.409 -10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.397 -1.633 -13.889 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.042 -2.657 -13.933 1.00 0.00 H new ATOM 723 N GLN A 47 0.740 3.150 -10.517 1.00 0.00 N ATOM 724 CA GLN A 47 1.390 4.153 -11.416 1.00 0.00 C ATOM 725 C GLN A 47 2.603 4.795 -10.748 1.00 0.00 C ATOM 726 O GLN A 47 3.722 4.672 -11.205 1.00 0.00 O ATOM 727 CB GLN A 47 0.385 5.258 -11.760 1.00 0.00 C ATOM 728 CG GLN A 47 -0.649 4.721 -12.757 1.00 0.00 C ATOM 729 CD GLN A 47 -0.023 4.639 -14.152 1.00 0.00 C ATOM 730 OE1 GLN A 47 0.489 3.609 -14.540 1.00 0.00 O ATOM 731 NE2 GLN A 47 -0.043 5.689 -14.926 1.00 0.00 N ATOM 0 H GLN A 47 -0.022 3.506 -9.940 1.00 0.00 H new ATOM 0 HA GLN A 47 1.717 3.632 -12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.114 5.605 -10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.905 6.116 -12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.994 3.736 -12.444 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.522 5.373 -12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.473 6.555 -14.600 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.371 5.644 -15.857 1.00 0.00 H new ATOM 740 N PHE A 48 2.374 5.513 -9.682 1.00 0.00 N ATOM 741 CA PHE A 48 3.494 6.209 -8.989 1.00 0.00 C ATOM 742 C PHE A 48 4.147 5.285 -7.966 1.00 0.00 C ATOM 743 O PHE A 48 5.114 5.663 -7.337 1.00 0.00 O ATOM 744 CB PHE A 48 2.942 7.446 -8.275 1.00 0.00 C ATOM 745 CG PHE A 48 4.065 8.174 -7.576 1.00 0.00 C ATOM 746 CD1 PHE A 48 4.829 9.117 -8.274 1.00 0.00 C ATOM 747 CD2 PHE A 48 4.341 7.908 -6.230 1.00 0.00 C ATOM 748 CE1 PHE A 48 5.868 9.794 -7.626 1.00 0.00 C ATOM 749 CE2 PHE A 48 5.380 8.586 -5.581 1.00 0.00 C ATOM 750 CZ PHE A 48 6.144 9.529 -6.279 1.00 0.00 C ATOM 0 H PHE A 48 1.455 5.648 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 48 4.244 6.499 -9.725 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.459 8.108 -8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.181 7.151 -7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.616 9.322 -9.313 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.752 7.180 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.457 10.521 -8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.592 8.382 -4.542 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.946 10.052 -5.779 1.00 0.00 H new ATOM 760 N ASP A 49 3.641 4.075 -7.812 1.00 0.00 N ATOM 761 CA ASP A 49 4.239 3.098 -6.828 1.00 0.00 C ATOM 762 C ASP A 49 4.989 3.821 -5.694 1.00 0.00 C ATOM 763 O ASP A 49 6.201 3.759 -5.635 1.00 0.00 O ATOM 764 CB ASP A 49 5.233 2.196 -7.558 1.00 0.00 C ATOM 765 CG ASP A 49 4.542 1.524 -8.746 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.892 0.514 -8.534 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.677 2.031 -9.847 1.00 0.00 O ATOM 0 H ASP A 49 2.836 3.720 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 49 3.423 2.519 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.085 2.782 -7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.622 1.440 -6.876 1.00 0.00 H new ATOM 772 N PRO A 50 4.265 4.498 -4.834 1.00 0.00 N ATOM 773 CA PRO A 50 4.893 5.239 -3.725 1.00 0.00 C ATOM 774 C PRO A 50 5.794 4.294 -2.915 1.00 0.00 C ATOM 775 O PRO A 50 5.584 3.098 -2.890 1.00 0.00 O ATOM 776 CB PRO A 50 3.706 5.778 -2.892 1.00 0.00 C ATOM 777 CG PRO A 50 2.403 5.476 -3.690 1.00 0.00 C ATOM 778 CD PRO A 50 2.788 4.577 -4.884 1.00 0.00 C ATOM 0 HA PRO A 50 5.536 6.054 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.676 5.300 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.812 6.849 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.671 4.977 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.944 6.401 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.335 3.589 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.446 5.003 -5.827 1.00 0.00 H new ATOM 786 N THR A 51 6.793 4.817 -2.250 1.00 0.00 N ATOM 787 CA THR A 51 7.684 3.930 -1.449 1.00 0.00 C ATOM 788 C THR A 51 6.884 3.381 -0.273 1.00 0.00 C ATOM 789 O THR A 51 5.711 3.665 -0.132 1.00 0.00 O ATOM 790 CB THR A 51 8.885 4.725 -0.928 1.00 0.00 C ATOM 791 OG1 THR A 51 8.435 5.734 -0.034 1.00 0.00 O ATOM 792 CG2 THR A 51 9.621 5.371 -2.104 1.00 0.00 C ATOM 0 H THR A 51 7.027 5.810 -2.228 1.00 0.00 H new ATOM 0 HA THR A 51 8.050 3.113 -2.071 1.00 0.00 H new ATOM 0 HB THR A 51 9.564 4.053 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.204 6.241 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.475 5.936 -1.732 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.968 4.595 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.944 6.042 -2.632 1.00 0.00 H new ATOM 800 N ALA A 52 7.487 2.599 0.577 1.00 0.00 N ATOM 801 CA ALA A 52 6.717 2.058 1.726 1.00 0.00 C ATOM 802 C ALA A 52 6.481 3.196 2.724 1.00 0.00 C ATOM 803 O ALA A 52 5.550 3.187 3.506 1.00 0.00 O ATOM 804 CB ALA A 52 7.512 0.932 2.385 1.00 0.00 C ATOM 0 H ALA A 52 8.465 2.315 0.527 1.00 0.00 H new ATOM 0 HA ALA A 52 5.760 1.658 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.948 0.534 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.688 0.138 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.468 1.320 2.738 1.00 0.00 H new ATOM 810 N LYS A 53 7.326 4.192 2.668 1.00 0.00 N ATOM 811 CA LYS A 53 7.184 5.368 3.572 1.00 0.00 C ATOM 812 C LYS A 53 6.106 6.288 2.996 1.00 0.00 C ATOM 813 O LYS A 53 5.290 6.850 3.706 1.00 0.00 O ATOM 814 CB LYS A 53 8.520 6.109 3.647 1.00 0.00 C ATOM 815 CG LYS A 53 9.669 5.099 3.824 1.00 0.00 C ATOM 816 CD LYS A 53 10.838 5.769 4.553 1.00 0.00 C ATOM 817 CE LYS A 53 11.959 4.757 4.772 1.00 0.00 C ATOM 818 NZ LYS A 53 11.395 3.486 5.311 1.00 0.00 N ATOM 0 H LYS A 53 8.117 4.240 2.026 1.00 0.00 H new ATOM 0 HA LYS A 53 6.900 5.049 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.674 6.693 2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.510 6.812 4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.322 4.235 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.997 4.732 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.206 6.613 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.502 6.166 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.477 4.566 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.696 5.161 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.151 2.938 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.653 3.703 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.987 2.930 4.533 1.00 0.00 H new ATOM 832 N ASP A 54 6.055 6.377 1.697 1.00 0.00 N ATOM 833 CA ASP A 54 4.995 7.180 1.038 1.00 0.00 C ATOM 834 C ASP A 54 3.751 6.311 1.036 1.00 0.00 C ATOM 835 O ASP A 54 2.640 6.799 1.006 1.00 0.00 O ATOM 836 CB ASP A 54 5.397 7.530 -0.397 1.00 0.00 C ATOM 837 CG ASP A 54 4.460 8.608 -0.944 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.259 8.441 -0.816 1.00 0.00 O ATOM 839 OD2 ASP A 54 4.960 9.583 -1.482 1.00 0.00 O ATOM 0 H ASP A 54 6.709 5.923 1.060 1.00 0.00 H new ATOM 0 HA ASP A 54 4.828 8.120 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.428 7.884 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.351 6.641 -1.026 1.00 0.00 H new ATOM 844 N LEU A 55 3.922 5.026 1.126 1.00 0.00 N ATOM 845 CA LEU A 55 2.728 4.152 1.191 1.00 0.00 C ATOM 846 C LEU A 55 1.960 4.559 2.448 1.00 0.00 C ATOM 847 O LEU A 55 0.746 4.562 2.480 1.00 0.00 O ATOM 848 CB LEU A 55 3.154 2.682 1.285 1.00 0.00 C ATOM 849 CG LEU A 55 1.916 1.770 1.307 1.00 0.00 C ATOM 850 CD1 LEU A 55 1.186 1.821 -0.048 1.00 0.00 C ATOM 851 CD2 LEU A 55 2.361 0.333 1.598 1.00 0.00 C ATOM 0 H LEU A 55 4.823 4.550 1.157 1.00 0.00 H new ATOM 0 HA LEU A 55 2.111 4.261 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.789 2.425 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.747 2.525 2.186 1.00 0.00 H new ATOM 0 HG LEU A 55 1.232 2.113 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.312 1.170 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.869 2.844 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.859 1.485 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.489 -0.321 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.049 0.001 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.862 0.296 2.565 1.00 0.00 H new ATOM 863 N GLN A 56 2.677 4.916 3.486 1.00 0.00 N ATOM 864 CA GLN A 56 2.020 5.340 4.754 1.00 0.00 C ATOM 865 C GLN A 56 1.239 6.640 4.535 1.00 0.00 C ATOM 866 O GLN A 56 0.031 6.658 4.600 1.00 0.00 O ATOM 867 CB GLN A 56 3.087 5.572 5.827 1.00 0.00 C ATOM 868 CG GLN A 56 3.756 4.243 6.182 1.00 0.00 C ATOM 869 CD GLN A 56 4.927 4.498 7.132 1.00 0.00 C ATOM 870 OE1 GLN A 56 6.065 4.558 6.711 1.00 0.00 O ATOM 871 NE2 GLN A 56 4.696 4.652 8.407 1.00 0.00 N ATOM 0 H GLN A 56 3.697 4.931 3.505 1.00 0.00 H new ATOM 0 HA GLN A 56 1.333 4.557 5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.832 6.281 5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.634 6.011 6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.034 3.574 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.109 3.749 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.741 4.602 8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.470 4.823 9.049 1.00 0.00 H new ATOM 880 N ASP A 57 1.922 7.733 4.312 1.00 0.00 N ATOM 881 CA ASP A 57 1.214 9.044 4.122 1.00 0.00 C ATOM 882 C ASP A 57 -0.049 8.874 3.260 1.00 0.00 C ATOM 883 O ASP A 57 -1.023 9.573 3.452 1.00 0.00 O ATOM 884 CB ASP A 57 2.158 10.058 3.473 1.00 0.00 C ATOM 885 CG ASP A 57 1.423 11.386 3.277 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.798 11.839 4.221 1.00 0.00 O ATOM 887 OD2 ASP A 57 1.499 11.927 2.186 1.00 0.00 O ATOM 0 H ASP A 57 2.939 7.779 4.252 1.00 0.00 H new ATOM 0 HA ASP A 57 0.908 9.410 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.037 10.206 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.511 9.680 2.513 1.00 0.00 H new ATOM 892 N LEU A 58 -0.071 7.949 2.340 1.00 0.00 N ATOM 893 CA LEU A 58 -1.311 7.753 1.518 1.00 0.00 C ATOM 894 C LEU A 58 -2.217 6.759 2.248 1.00 0.00 C ATOM 895 O LEU A 58 -3.422 6.764 2.086 1.00 0.00 O ATOM 896 CB LEU A 58 -0.944 7.217 0.128 1.00 0.00 C ATOM 897 CG LEU A 58 -0.463 8.356 -0.790 1.00 0.00 C ATOM 898 CD1 LEU A 58 -1.649 9.210 -1.265 1.00 0.00 C ATOM 899 CD2 LEU A 58 0.540 9.245 -0.043 1.00 0.00 C ATOM 0 H LEU A 58 0.704 7.324 2.119 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.829 8.703 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.162 6.463 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.809 6.726 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 58 0.021 7.912 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.286 10.009 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.349 8.584 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.154 9.644 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.875 10.048 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.061 9.673 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.398 8.647 0.265 1.00 0.00 H new ATOM 911 N LEU A 59 -1.649 5.938 3.076 1.00 0.00 N ATOM 912 CA LEU A 59 -2.461 4.963 3.860 1.00 0.00 C ATOM 913 C LEU A 59 -2.834 5.597 5.209 1.00 0.00 C ATOM 914 O LEU A 59 -3.757 5.171 5.864 1.00 0.00 O ATOM 915 CB LEU A 59 -1.638 3.691 4.094 1.00 0.00 C ATOM 916 CG LEU A 59 -2.532 2.557 4.635 1.00 0.00 C ATOM 917 CD1 LEU A 59 -3.240 1.838 3.479 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.670 1.544 5.398 1.00 0.00 C ATOM 0 H LEU A 59 -0.645 5.896 3.249 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.369 4.707 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.169 3.378 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.834 3.896 4.801 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.279 2.989 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.867 1.040 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.860 2.549 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.496 1.413 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.303 0.743 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.920 1.126 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.174 2.043 6.230 1.00 0.00 H new ATOM 930 N GLN A 60 -2.126 6.604 5.635 1.00 0.00 N ATOM 931 CA GLN A 60 -2.446 7.249 6.948 1.00 0.00 C ATOM 932 C GLN A 60 -3.398 8.434 6.745 1.00 0.00 C ATOM 933 O GLN A 60 -4.074 8.858 7.662 1.00 0.00 O ATOM 934 CB GLN A 60 -1.140 7.761 7.564 1.00 0.00 C ATOM 935 CG GLN A 60 -0.368 6.591 8.190 1.00 0.00 C ATOM 936 CD GLN A 60 -0.999 6.219 9.534 1.00 0.00 C ATOM 937 OE1 GLN A 60 -2.100 6.812 9.910 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 -0.486 5.382 10.249 1.00 0.00 N flip ATOM 0 H GLN A 60 -1.337 7.012 5.133 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.926 6.521 7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.531 8.243 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.355 8.514 8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.384 5.732 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.677 6.866 8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.374 4.919 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.915 5.142 11.143 1.00 0.00 H new ATOM 947 N TYR A 61 -3.453 8.978 5.554 1.00 0.00 N ATOM 948 CA TYR A 61 -4.357 10.144 5.294 1.00 0.00 C ATOM 949 C TYR A 61 -5.631 9.655 4.613 1.00 0.00 C ATOM 950 O TYR A 61 -6.730 9.953 5.038 1.00 0.00 O ATOM 951 CB TYR A 61 -3.647 11.144 4.371 1.00 0.00 C ATOM 952 CG TYR A 61 -2.653 11.961 5.171 1.00 0.00 C ATOM 953 CD1 TYR A 61 -1.557 11.332 5.774 1.00 0.00 C ATOM 954 CD2 TYR A 61 -2.829 13.345 5.312 1.00 0.00 C ATOM 955 CE1 TYR A 61 -0.638 12.085 6.516 1.00 0.00 C ATOM 956 CE2 TYR A 61 -1.910 14.096 6.053 1.00 0.00 C ATOM 957 CZ TYR A 61 -0.815 13.467 6.655 1.00 0.00 C ATOM 958 OH TYR A 61 0.090 14.208 7.386 1.00 0.00 O ATOM 0 H TYR A 61 -2.910 8.665 4.749 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.606 10.627 6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.134 10.613 3.569 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.378 11.802 3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.420 10.266 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.674 13.832 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.207 11.600 6.981 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.046 15.162 6.160 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.179 15.150 7.382 1.00 0.00 H new ATOM 968 N LEU A 62 -5.495 8.908 3.555 1.00 0.00 N ATOM 969 CA LEU A 62 -6.705 8.407 2.849 1.00 0.00 C ATOM 970 C LEU A 62 -7.441 7.420 3.752 1.00 0.00 C ATOM 971 O LEU A 62 -8.630 7.218 3.602 1.00 0.00 O ATOM 972 CB LEU A 62 -6.309 7.733 1.535 1.00 0.00 C ATOM 973 CG LEU A 62 -7.562 7.452 0.693 1.00 0.00 C ATOM 974 CD1 LEU A 62 -8.207 8.774 0.223 1.00 0.00 C ATOM 975 CD2 LEU A 62 -7.166 6.603 -0.521 1.00 0.00 C ATOM 0 H LEU A 62 -4.603 8.624 3.150 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.364 9.244 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.623 8.373 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.781 6.802 1.739 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.290 6.914 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.093 8.555 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.491 9.369 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.493 9.332 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.050 6.398 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.434 7.144 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.733 5.662 -0.181 1.00 0.00 H new ATOM 987 N CYS A 63 -6.767 6.835 4.716 1.00 0.00 N ATOM 988 CA CYS A 63 -7.457 5.896 5.660 1.00 0.00 C ATOM 989 C CYS A 63 -7.538 6.597 7.019 1.00 0.00 C ATOM 990 O CYS A 63 -7.800 7.781 7.094 1.00 0.00 O ATOM 991 CB CYS A 63 -6.647 4.599 5.786 1.00 0.00 C ATOM 992 SG CYS A 63 -5.866 4.224 4.198 1.00 0.00 S ATOM 0 H CYS A 63 -5.771 6.967 4.890 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.453 5.642 5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.888 4.705 6.561 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.298 3.778 6.087 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.736 2.937 4.071 1.00 0.00 H new ATOM 998 N SER A 64 -7.282 5.897 8.092 1.00 0.00 N ATOM 999 CA SER A 64 -7.313 6.563 9.424 1.00 0.00 C ATOM 1000 C SER A 64 -6.510 5.746 10.440 1.00 0.00 C ATOM 1001 O SER A 64 -5.601 6.250 11.069 1.00 0.00 O ATOM 1002 CB SER A 64 -8.750 6.697 9.903 1.00 0.00 C ATOM 1003 OG SER A 64 -9.544 7.260 8.866 1.00 0.00 O ATOM 0 H SER A 64 -7.055 4.903 8.104 1.00 0.00 H new ATOM 0 HA SER A 64 -6.869 7.554 9.330 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.143 5.721 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.791 7.328 10.791 1.00 0.00 H new ATOM 0 HG SER A 64 -8.987 7.839 8.305 1.00 0.00 H new ATOM 1009 N SER A 65 -6.835 4.495 10.616 1.00 0.00 N ATOM 1010 CA SER A 65 -6.077 3.671 11.605 1.00 0.00 C ATOM 1011 C SER A 65 -6.437 2.191 11.449 1.00 0.00 C ATOM 1012 O SER A 65 -5.649 1.399 10.963 1.00 0.00 O ATOM 1013 CB SER A 65 -6.428 4.130 13.020 1.00 0.00 C ATOM 1014 OG SER A 65 -5.893 3.206 13.959 1.00 0.00 O ATOM 0 H SER A 65 -7.585 4.009 10.124 1.00 0.00 H new ATOM 0 HA SER A 65 -5.009 3.797 11.427 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.025 5.126 13.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.510 4.198 13.135 1.00 0.00 H new ATOM 0 HG SER A 65 -6.115 3.498 14.868 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.617 1.803 11.866 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.017 0.372 11.746 1.00 0.00 C ATOM 1022 C LEU A 66 -7.635 -0.152 10.361 1.00 0.00 C ATOM 1023 O LEU A 66 -6.846 -1.055 10.247 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.536 0.243 11.957 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.862 0.197 13.465 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.305 0.657 13.695 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -9.707 -1.237 13.995 1.00 0.00 C ATOM 0 H LEU A 66 -8.317 2.416 12.283 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.500 -0.216 12.504 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.048 1.086 11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.903 -0.661 11.470 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.173 0.857 13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.532 0.623 14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.424 1.677 13.331 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.987 -0.002 13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.939 -1.258 15.060 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.390 -1.898 13.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.682 -1.573 13.840 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.229 0.376 9.320 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.935 -0.116 7.930 1.00 0.00 C ATOM 1041 C VAL A 67 -6.478 -0.602 7.815 1.00 0.00 C ATOM 1042 O VAL A 67 -6.206 -1.662 7.287 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.167 1.015 6.933 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -8.268 0.440 5.519 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.467 1.745 7.280 1.00 0.00 C ATOM 0 H VAL A 67 -8.911 1.133 9.370 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.599 -0.952 7.712 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.333 1.715 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.434 1.249 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.342 -0.078 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.101 -0.262 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.632 2.553 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.301 1.045 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.395 2.158 8.286 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.541 0.166 8.324 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.107 -0.253 8.264 1.00 0.00 C ATOM 1057 C ALA A 68 -3.968 -1.616 8.940 1.00 0.00 C ATOM 1058 O ALA A 68 -3.289 -2.500 8.453 1.00 0.00 O ATOM 1059 CB ALA A 68 -3.237 0.776 8.993 1.00 0.00 C ATOM 0 H ALA A 68 -5.710 1.064 8.778 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.782 -0.318 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.193 0.467 8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.349 1.750 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.550 0.844 10.035 1.00 0.00 H new ATOM 1065 N SER A 69 -4.667 -1.812 10.024 1.00 0.00 N ATOM 1066 CA SER A 69 -4.654 -3.132 10.709 1.00 0.00 C ATOM 1067 C SER A 69 -5.137 -4.192 9.718 1.00 0.00 C ATOM 1068 O SER A 69 -4.382 -4.985 9.191 1.00 0.00 O ATOM 1069 CB SER A 69 -5.648 -3.072 11.881 1.00 0.00 C ATOM 1070 OG SER A 69 -5.337 -1.953 12.701 1.00 0.00 O ATOM 0 H SER A 69 -5.253 -1.105 10.468 1.00 0.00 H new ATOM 0 HA SER A 69 -3.653 -3.373 11.066 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.668 -2.990 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.596 -3.991 12.465 1.00 0.00 H new ATOM 0 HG SER A 69 -5.969 -1.910 13.449 1.00 0.00 H new ATOM 1076 N LEU A 70 -6.423 -4.190 9.487 1.00 0.00 N ATOM 1077 CA LEU A 70 -7.100 -5.143 8.569 1.00 0.00 C ATOM 1078 C LEU A 70 -6.286 -5.534 7.324 1.00 0.00 C ATOM 1079 O LEU A 70 -5.867 -6.665 7.161 1.00 0.00 O ATOM 1080 CB LEU A 70 -8.393 -4.455 8.080 1.00 0.00 C ATOM 1081 CG LEU A 70 -9.102 -3.748 9.244 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -10.505 -3.332 8.798 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -9.216 -4.694 10.445 1.00 0.00 C ATOM 0 H LEU A 70 -7.062 -3.527 9.925 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.263 -6.063 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.154 -3.732 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.060 -5.195 7.636 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.525 -2.870 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.014 -2.829 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.430 -2.653 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.072 -4.217 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.720 -4.182 11.265 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.790 -5.576 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.219 -4.997 10.765 1.00 0.00 H new ATOM 1095 N HIS A 71 -6.188 -4.643 6.370 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.552 -5.030 5.083 1.00 0.00 C ATOM 1097 C HIS A 71 -4.103 -5.498 5.268 1.00 0.00 C ATOM 1098 O HIS A 71 -3.705 -6.539 4.754 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.638 -3.867 4.080 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.483 -2.917 4.268 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -3.192 -3.243 3.883 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.410 -1.653 4.795 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -2.404 -2.195 4.181 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -3.096 -1.199 4.739 1.00 0.00 N ATOM 0 H HIS A 71 -6.517 -3.679 6.428 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.104 -5.881 4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.633 -4.257 3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.579 -3.334 4.213 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.894 -4.118 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.245 -1.095 5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.341 -2.163 3.992 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.277 -4.731 5.949 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.869 -5.181 6.069 1.00 0.00 C ATOM 1114 C HIS A 72 -1.866 -6.488 6.849 1.00 0.00 C ATOM 1115 O HIS A 72 -0.889 -7.205 6.885 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.992 -4.121 6.737 1.00 0.00 C ATOM 1117 CG HIS A 72 0.403 -4.658 6.902 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.363 -4.538 5.909 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.015 -5.319 7.937 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.490 -5.114 6.364 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.333 -5.606 7.596 1.00 0.00 N ATOM 0 H HIS A 72 -3.513 -3.850 6.406 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.442 -5.338 5.078 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.975 -3.214 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.406 -3.850 7.708 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.545 -5.577 8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.410 -5.172 5.802 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.029 -6.088 8.164 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.998 -6.833 7.411 1.00 0.00 N ATOM 1130 CA GLN A 73 -3.096 -8.134 8.114 1.00 0.00 C ATOM 1131 C GLN A 73 -2.840 -9.169 7.030 1.00 0.00 C ATOM 1132 O GLN A 73 -1.965 -10.000 7.137 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.491 -8.331 8.735 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.409 -9.348 9.878 1.00 0.00 C ATOM 1135 CD GLN A 73 -3.944 -10.698 9.329 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.760 -10.946 9.218 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -4.832 -11.588 8.980 1.00 0.00 N ATOM 0 H GLN A 73 -3.849 -6.270 7.410 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.388 -8.207 8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.871 -7.380 9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.192 -8.678 7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.716 -8.996 10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.383 -9.454 10.355 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.826 -11.380 9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.532 -12.492 8.614 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.603 -9.105 5.963 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.395 -10.069 4.840 1.00 0.00 C ATOM 1148 C GLN A 74 -1.888 -10.142 4.569 1.00 0.00 C ATOM 1149 O GLN A 74 -1.222 -11.082 4.954 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.109 -9.544 3.592 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.604 -9.386 3.883 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.229 -10.762 4.127 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.408 -11.168 5.258 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.571 -11.501 3.107 1.00 0.00 N ATOM 0 H GLN A 74 -4.355 -8.431 5.824 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.790 -11.053 5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.683 -8.586 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.961 -10.232 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.749 -8.750 4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.098 -8.895 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.421 -11.160 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.988 -12.419 3.260 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.347 -9.091 3.960 1.00 0.00 N ATOM 1164 CA LEU A 75 0.135 -8.993 3.701 1.00 0.00 C ATOM 1165 C LEU A 75 0.909 -9.647 4.842 1.00 0.00 C ATOM 1166 O LEU A 75 1.669 -10.566 4.612 1.00 0.00 O ATOM 1167 CB LEU A 75 0.510 -7.502 3.611 1.00 0.00 C ATOM 1168 CG LEU A 75 0.275 -6.982 2.166 1.00 0.00 C ATOM 1169 CD1 LEU A 75 -0.064 -5.489 2.186 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.541 -7.193 1.324 1.00 0.00 C ATOM 0 H LEU A 75 -1.884 -8.289 3.629 1.00 0.00 H new ATOM 0 HA LEU A 75 0.386 -9.505 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.088 -6.925 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.554 -7.364 3.891 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.557 -7.536 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.226 -5.139 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.969 -5.329 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.761 -4.935 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.370 -6.826 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.371 -6.647 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.782 -8.255 1.289 1.00 0.00 H new ATOM 1182 N ASP A 76 0.715 -9.187 6.057 1.00 0.00 N ATOM 1183 CA ASP A 76 1.418 -9.780 7.246 1.00 0.00 C ATOM 1184 C ASP A 76 1.779 -11.247 6.978 1.00 0.00 C ATOM 1185 O ASP A 76 2.925 -11.615 6.778 1.00 0.00 O ATOM 1186 CB ASP A 76 0.439 -9.722 8.449 1.00 0.00 C ATOM 1187 CG ASP A 76 1.226 -9.687 9.767 1.00 0.00 C ATOM 1188 OD1 ASP A 76 1.853 -8.676 10.033 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.184 -10.673 10.485 1.00 0.00 O ATOM 0 H ASP A 76 0.089 -8.413 6.280 1.00 0.00 H new ATOM 0 HA ASP A 76 2.333 -9.224 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.194 -8.838 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.221 -10.589 8.433 1.00 0.00 H new ATOM 1194 N SER A 77 0.775 -12.078 6.965 1.00 0.00 N ATOM 1195 CA SER A 77 0.977 -13.518 6.714 1.00 0.00 C ATOM 1196 C SER A 77 1.132 -13.772 5.220 1.00 0.00 C ATOM 1197 O SER A 77 1.790 -14.712 4.821 1.00 0.00 O ATOM 1198 CB SER A 77 -0.249 -14.272 7.203 1.00 0.00 C ATOM 1199 OG SER A 77 -0.300 -14.223 8.623 1.00 0.00 O ATOM 0 H SER A 77 -0.196 -11.806 7.122 1.00 0.00 H new ATOM 0 HA SER A 77 1.874 -13.852 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.152 -13.832 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.211 -15.308 6.865 1.00 0.00 H new ATOM 0 HG SER A 77 -1.091 -14.707 8.939 1.00 0.00 H new ATOM 1205 N LEU A 78 0.523 -12.968 4.375 1.00 0.00 N ATOM 1206 CA LEU A 78 0.657 -13.229 2.919 1.00 0.00 C ATOM 1207 C LEU A 78 2.138 -13.390 2.620 1.00 0.00 C ATOM 1208 O LEU A 78 2.566 -14.384 2.073 1.00 0.00 O ATOM 1209 CB LEU A 78 0.047 -12.066 2.104 1.00 0.00 C ATOM 1210 CG LEU A 78 -0.767 -12.610 0.930 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -1.660 -11.497 0.356 1.00 0.00 C ATOM 1212 CD2 LEU A 78 0.184 -13.113 -0.160 1.00 0.00 C ATOM 0 H LEU A 78 -0.047 -12.162 4.631 1.00 0.00 H new ATOM 0 HA LEU A 78 0.118 -14.134 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.590 -11.458 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.841 -11.416 1.735 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.394 -13.432 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.238 -11.890 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.339 -11.139 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.037 -10.672 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.395 -13.501 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.812 -12.291 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.814 -13.906 0.244 1.00 0.00 H new ATOM 1224 N ILE A 79 2.941 -12.442 3.035 1.00 0.00 N ATOM 1225 CA ILE A 79 4.398 -12.572 2.840 1.00 0.00 C ATOM 1226 C ILE A 79 4.806 -13.910 3.450 1.00 0.00 C ATOM 1227 O ILE A 79 5.405 -14.741 2.798 1.00 0.00 O ATOM 1228 CB ILE A 79 5.093 -11.347 3.540 1.00 0.00 C ATOM 1229 CG1 ILE A 79 6.211 -10.777 2.642 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.713 -11.702 4.907 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.643 -10.268 1.304 1.00 0.00 C ATOM 0 H ILE A 79 2.640 -11.586 3.500 1.00 0.00 H new ATOM 0 HA ILE A 79 4.696 -12.561 1.792 1.00 0.00 H new ATOM 0 HB ILE A 79 4.305 -10.611 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.717 -9.962 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.959 -11.548 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.177 -10.815 5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.934 -12.066 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.468 -12.477 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.453 -9.872 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.159 -11.091 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.914 -9.480 1.494 1.00 0.00 H new ATOM 1243 N SER A 80 4.492 -14.124 4.703 1.00 0.00 N ATOM 1244 CA SER A 80 4.874 -15.406 5.343 1.00 0.00 C ATOM 1245 C SER A 80 4.499 -16.567 4.424 1.00 0.00 C ATOM 1246 O SER A 80 5.306 -17.434 4.140 1.00 0.00 O ATOM 1247 CB SER A 80 4.139 -15.559 6.674 1.00 0.00 C ATOM 1248 OG SER A 80 4.279 -14.363 7.430 1.00 0.00 O ATOM 0 H SER A 80 3.991 -13.468 5.302 1.00 0.00 H new ATOM 0 HA SER A 80 5.949 -15.411 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.084 -15.770 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.544 -16.404 7.231 1.00 0.00 H new ATOM 0 HG SER A 80 3.807 -14.458 8.283 1.00 0.00 H new ATOM 1254 N GLU A 81 3.276 -16.611 3.965 1.00 0.00 N ATOM 1255 CA GLU A 81 2.867 -17.740 3.099 1.00 0.00 C ATOM 1256 C GLU A 81 3.392 -17.574 1.672 1.00 0.00 C ATOM 1257 O GLU A 81 3.560 -18.550 0.965 1.00 0.00 O ATOM 1258 CB GLU A 81 1.339 -17.811 3.064 1.00 0.00 C ATOM 1259 CG GLU A 81 0.900 -19.040 2.262 1.00 0.00 C ATOM 1260 CD GLU A 81 -0.623 -19.177 2.326 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.296 -18.175 2.147 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.089 -20.281 2.550 1.00 0.00 O ATOM 0 H GLU A 81 2.552 -15.917 4.154 1.00 0.00 H new ATOM 0 HA GLU A 81 3.288 -18.657 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.944 -17.866 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.933 -16.906 2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.224 -18.945 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.373 -19.936 2.663 1.00 0.00 H new ATOM 1269 N ALA A 82 3.605 -16.369 1.189 1.00 0.00 N ATOM 1270 CA ALA A 82 4.046 -16.261 -0.236 1.00 0.00 C ATOM 1271 C ALA A 82 5.515 -16.637 -0.350 1.00 0.00 C ATOM 1272 O ALA A 82 5.921 -17.357 -1.230 1.00 0.00 O ATOM 1273 CB ALA A 82 3.848 -14.837 -0.754 1.00 0.00 C ATOM 0 H ALA A 82 3.498 -15.491 1.697 1.00 0.00 H new ATOM 0 HA ALA A 82 3.443 -16.943 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.175 -14.779 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.793 -14.570 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.435 -14.145 -0.150 1.00 0.00 H new ATOM 1279 N GLU A 83 6.329 -16.119 0.532 1.00 0.00 N ATOM 1280 CA GLU A 83 7.773 -16.429 0.446 1.00 0.00 C ATOM 1281 C GLU A 83 7.933 -17.940 0.549 1.00 0.00 C ATOM 1282 O GLU A 83 8.791 -18.531 -0.077 1.00 0.00 O ATOM 1283 CB GLU A 83 8.549 -15.719 1.562 1.00 0.00 C ATOM 1284 CG GLU A 83 8.105 -16.248 2.933 1.00 0.00 C ATOM 1285 CD GLU A 83 8.828 -17.562 3.246 1.00 0.00 C ATOM 1286 OE1 GLU A 83 10.047 -17.567 3.211 1.00 0.00 O ATOM 1287 OE2 GLU A 83 8.149 -18.539 3.515 1.00 0.00 O ATOM 0 H GLU A 83 6.054 -15.503 1.297 1.00 0.00 H new ATOM 0 HA GLU A 83 8.178 -16.074 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.619 -15.880 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.379 -14.644 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.323 -15.510 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.027 -16.406 2.939 1.00 0.00 H new ATOM 1294 N THR A 84 7.091 -18.578 1.321 1.00 0.00 N ATOM 1295 CA THR A 84 7.182 -20.055 1.437 1.00 0.00 C ATOM 1296 C THR A 84 7.063 -20.654 0.026 1.00 0.00 C ATOM 1297 O THR A 84 7.825 -21.524 -0.347 1.00 0.00 O ATOM 1298 CB THR A 84 6.038 -20.562 2.351 1.00 0.00 C ATOM 1299 OG1 THR A 84 5.388 -19.446 2.935 1.00 0.00 O ATOM 1300 CG2 THR A 84 6.589 -21.459 3.469 1.00 0.00 C ATOM 0 H THR A 84 6.352 -18.140 1.870 1.00 0.00 H new ATOM 0 HA THR A 84 8.133 -20.357 1.877 1.00 0.00 H new ATOM 0 HB THR A 84 5.339 -21.143 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.035 -18.925 3.455 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.768 -21.803 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.094 -22.319 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.297 -20.893 4.074 1.00 0.00 H new ATOM 1308 N ARG A 85 6.102 -20.199 -0.752 1.00 0.00 N ATOM 1309 CA ARG A 85 5.916 -20.742 -2.139 1.00 0.00 C ATOM 1310 C ARG A 85 7.264 -20.994 -2.801 1.00 0.00 C ATOM 1311 O ARG A 85 7.393 -21.870 -3.634 1.00 0.00 O ATOM 1312 CB ARG A 85 5.137 -19.738 -3.010 1.00 0.00 C ATOM 1313 CG ARG A 85 5.113 -20.200 -4.494 1.00 0.00 C ATOM 1314 CD ARG A 85 6.176 -19.448 -5.328 1.00 0.00 C ATOM 1315 NE ARG A 85 6.218 -20.024 -6.702 1.00 0.00 N ATOM 1316 CZ ARG A 85 6.816 -19.376 -7.663 1.00 0.00 C ATOM 1317 NH1 ARG A 85 7.371 -18.219 -7.424 1.00 0.00 N ATOM 1318 NH2 ARG A 85 6.861 -19.885 -8.864 1.00 0.00 N ATOM 0 H ARG A 85 5.438 -19.473 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 85 5.361 -21.676 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.117 -19.641 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.598 -18.753 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.297 -21.273 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.124 -20.025 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.936 -18.386 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.154 -19.534 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 85 5.779 -20.925 -6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.337 -17.821 -6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.839 -17.713 -8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.428 -20.790 -9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.329 -19.378 -9.616 1.00 0.00 H new ATOM 1332 N GLY A 86 8.274 -20.239 -2.457 1.00 0.00 N ATOM 1333 CA GLY A 86 9.610 -20.449 -3.092 1.00 0.00 C ATOM 1334 C GLY A 86 9.780 -19.487 -4.273 1.00 0.00 C ATOM 1335 O GLY A 86 9.960 -19.906 -5.399 1.00 0.00 O ATOM 0 H GLY A 86 8.233 -19.489 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.401 -20.284 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.702 -21.480 -3.434 1.00 0.00 H new ATOM 1339 N ILE A 87 9.732 -18.199 -4.028 1.00 0.00 N ATOM 1340 CA ILE A 87 9.906 -17.219 -5.145 1.00 0.00 C ATOM 1341 C ILE A 87 11.303 -17.410 -5.767 1.00 0.00 C ATOM 1342 O ILE A 87 11.735 -18.513 -6.032 1.00 0.00 O ATOM 1343 CB ILE A 87 9.766 -15.781 -4.597 1.00 0.00 C ATOM 1344 CG1 ILE A 87 8.676 -15.738 -3.519 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.389 -14.809 -5.727 1.00 0.00 C ATOM 1346 CD1 ILE A 87 7.388 -16.389 -4.035 1.00 0.00 C ATOM 0 H ILE A 87 9.581 -17.786 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 87 9.143 -17.384 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 87 10.723 -15.482 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.020 -16.257 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.479 -14.705 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.294 -13.801 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.165 -14.822 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.440 -15.114 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.624 -16.350 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.037 -15.852 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.586 -17.428 -4.298 1.00 0.00 H new ATOM 1358 N THR A 88 12.013 -16.335 -5.972 1.00 0.00 N ATOM 1359 CA THR A 88 13.385 -16.437 -6.545 1.00 0.00 C ATOM 1360 C THR A 88 14.342 -16.377 -5.377 1.00 0.00 C ATOM 1361 O THR A 88 15.236 -15.555 -5.347 1.00 0.00 O ATOM 1362 CB THR A 88 13.653 -15.261 -7.484 1.00 0.00 C ATOM 1363 OG1 THR A 88 13.359 -14.047 -6.811 1.00 0.00 O ATOM 1364 CG2 THR A 88 12.777 -15.385 -8.731 1.00 0.00 C ATOM 0 H THR A 88 11.701 -15.386 -5.766 1.00 0.00 H new ATOM 0 HA THR A 88 13.503 -17.358 -7.115 1.00 0.00 H new ATOM 0 HB THR A 88 14.701 -15.267 -7.783 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.389 -13.910 -6.792 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.971 -14.545 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.007 -16.317 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.727 -15.381 -8.440 1.00 0.00 H new ATOM 1372 N SER A 89 14.165 -17.260 -4.412 1.00 0.00 N ATOM 1373 CA SER A 89 15.070 -17.259 -3.215 1.00 0.00 C ATOM 1374 C SER A 89 15.325 -15.806 -2.797 1.00 0.00 C ATOM 1375 O SER A 89 16.320 -15.487 -2.176 1.00 0.00 O ATOM 1376 CB SER A 89 16.401 -17.912 -3.594 1.00 0.00 C ATOM 1377 OG SER A 89 17.314 -17.781 -2.512 1.00 0.00 O ATOM 0 H SER A 89 13.437 -17.975 -4.405 1.00 0.00 H new ATOM 0 HA SER A 89 14.611 -17.811 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.248 -18.965 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.809 -17.441 -4.488 1.00 0.00 H new ATOM 0 HG SER A 89 17.211 -16.896 -2.103 1.00 0.00 H new ATOM 1383 N TYR A 90 14.460 -14.922 -3.229 1.00 0.00 N ATOM 1384 CA TYR A 90 14.647 -13.471 -2.979 1.00 0.00 C ATOM 1385 C TYR A 90 15.271 -13.188 -1.612 1.00 0.00 C ATOM 1386 O TYR A 90 14.766 -13.592 -0.583 1.00 0.00 O ATOM 1387 CB TYR A 90 13.295 -12.737 -3.075 1.00 0.00 C ATOM 1388 CG TYR A 90 13.052 -12.225 -4.496 1.00 0.00 C ATOM 1389 CD1 TYR A 90 13.997 -11.397 -5.141 1.00 0.00 C ATOM 1390 CD2 TYR A 90 11.879 -12.584 -5.168 1.00 0.00 C ATOM 1391 CE1 TYR A 90 13.758 -10.944 -6.445 1.00 0.00 C ATOM 1392 CE2 TYR A 90 11.643 -12.127 -6.472 1.00 0.00 C ATOM 1393 CZ TYR A 90 12.583 -11.309 -7.109 1.00 0.00 C ATOM 1394 OH TYR A 90 12.349 -10.860 -8.393 1.00 0.00 O ATOM 0 H TYR A 90 13.618 -15.156 -3.754 1.00 0.00 H new ATOM 0 HA TYR A 90 15.333 -13.106 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.489 -13.411 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 90 13.280 -11.901 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.904 -11.113 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.152 -13.216 -4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.482 -10.312 -6.938 1.00 0.00 H new ATOM 0 HE2 TYR A 90 10.735 -12.406 -6.986 1.00 0.00 H new ATOM 0 HH TYR A 90 11.488 -11.206 -8.709 1.00 0.00 H new ATOM 1404 N ASN A 91 16.353 -12.453 -1.605 1.00 0.00 N ATOM 1405 CA ASN A 91 17.013 -12.080 -0.330 1.00 0.00 C ATOM 1406 C ASN A 91 16.586 -10.662 0.149 1.00 0.00 C ATOM 1407 O ASN A 91 16.720 -10.380 1.316 1.00 0.00 O ATOM 1408 CB ASN A 91 18.531 -12.108 -0.522 1.00 0.00 C ATOM 1409 CG ASN A 91 19.220 -11.760 0.798 1.00 0.00 C ATOM 1410 OD1 ASN A 91 19.401 -10.602 1.117 1.00 0.00 O ATOM 1411 ND2 ASN A 91 19.616 -12.722 1.586 1.00 0.00 N ATOM 0 H ASN A 91 16.809 -12.093 -2.443 1.00 0.00 H new ATOM 0 HA ASN A 91 16.707 -12.799 0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 91 18.847 -13.095 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.823 -11.397 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.077 -12.501 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.465 -13.695 1.319 1.00 0.00 H new ATOM 1418 N PRO A 92 16.106 -9.778 -0.720 1.00 0.00 N ATOM 1419 CA PRO A 92 15.713 -8.430 -0.261 1.00 0.00 C ATOM 1420 C PRO A 92 14.635 -8.501 0.822 1.00 0.00 C ATOM 1421 O PRO A 92 14.778 -7.927 1.883 1.00 0.00 O ATOM 1422 CB PRO A 92 15.195 -7.709 -1.524 1.00 0.00 C ATOM 1423 CG PRO A 92 15.521 -8.621 -2.737 1.00 0.00 C ATOM 1424 CD PRO A 92 15.935 -9.996 -2.173 1.00 0.00 C ATOM 0 HA PRO A 92 16.549 -7.899 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.122 -7.531 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.673 -6.735 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.654 -8.718 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.325 -8.193 -3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 92 15.173 -10.750 -2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.859 -10.348 -2.631 1.00 0.00 H new ATOM 1432 N LEU A 93 13.557 -9.208 0.571 1.00 0.00 N ATOM 1433 CA LEU A 93 12.497 -9.302 1.620 1.00 0.00 C ATOM 1434 C LEU A 93 13.190 -9.724 2.906 1.00 0.00 C ATOM 1435 O LEU A 93 13.089 -9.050 3.894 1.00 0.00 O ATOM 1436 CB LEU A 93 11.354 -10.306 1.268 1.00 0.00 C ATOM 1437 CG LEU A 93 11.736 -11.279 0.105 1.00 0.00 C ATOM 1438 CD1 LEU A 93 11.386 -12.724 0.484 1.00 0.00 C ATOM 1439 CD2 LEU A 93 10.961 -10.910 -1.168 1.00 0.00 C ATOM 0 H LEU A 93 13.369 -9.713 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 93 12.007 -8.333 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.103 -10.888 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.460 -9.748 0.989 1.00 0.00 H new ATOM 0 HG LEU A 93 12.808 -11.192 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.657 -13.391 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.936 -13.008 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.316 -12.801 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.235 -11.594 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.891 -10.985 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.207 -9.889 -1.461 1.00 0.00 H new ATOM 1451 N ALA A 94 13.866 -10.853 2.847 1.00 0.00 N ATOM 1452 CA ALA A 94 14.616 -11.440 4.018 1.00 0.00 C ATOM 1453 C ALA A 94 14.670 -10.439 5.177 1.00 0.00 C ATOM 1454 O ALA A 94 14.245 -10.711 6.282 1.00 0.00 O ATOM 1455 CB ALA A 94 16.029 -11.773 3.544 1.00 0.00 C ATOM 0 H ALA A 94 13.932 -11.416 1.999 1.00 0.00 H new ATOM 0 HA ALA A 94 14.111 -12.337 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.598 -12.200 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.979 -12.493 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.520 -10.864 3.197 1.00 0.00 H new ATOM 1461 N GLY A 95 15.138 -9.254 4.891 1.00 0.00 N ATOM 1462 CA GLY A 95 15.169 -8.177 5.924 1.00 0.00 C ATOM 1463 C GLY A 95 13.709 -7.788 6.227 1.00 0.00 C ATOM 1464 O GLY A 95 12.826 -8.602 6.054 1.00 0.00 O ATOM 0 H GLY A 95 15.503 -8.983 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.669 -8.526 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.729 -7.315 5.563 1.00 0.00 H new ATOM 1468 N PRO A 96 13.459 -6.575 6.673 1.00 0.00 N ATOM 1469 CA PRO A 96 12.069 -6.163 6.953 1.00 0.00 C ATOM 1470 C PRO A 96 11.337 -5.967 5.604 1.00 0.00 C ATOM 1471 O PRO A 96 11.967 -6.010 4.566 1.00 0.00 O ATOM 1472 CB PRO A 96 12.210 -4.844 7.740 1.00 0.00 C ATOM 1473 CG PRO A 96 13.719 -4.438 7.692 1.00 0.00 C ATOM 1474 CD PRO A 96 14.489 -5.573 6.972 1.00 0.00 C ATOM 0 HA PRO A 96 11.490 -6.890 7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.587 -4.065 7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.879 -4.973 8.770 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.844 -3.494 7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.108 -4.291 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.970 -5.213 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.274 -5.986 7.606 1.00 0.00 H new ATOM 1482 N LEU A 97 10.039 -5.750 5.570 1.00 0.00 N ATOM 1483 CA LEU A 97 9.376 -5.560 4.234 1.00 0.00 C ATOM 1484 C LEU A 97 9.733 -4.166 3.688 1.00 0.00 C ATOM 1485 O LEU A 97 10.231 -4.042 2.585 1.00 0.00 O ATOM 1486 CB LEU A 97 7.857 -5.706 4.367 1.00 0.00 C ATOM 1487 CG LEU A 97 7.486 -7.190 4.434 1.00 0.00 C ATOM 1488 CD1 LEU A 97 8.267 -7.865 5.565 1.00 0.00 C ATOM 1489 CD2 LEU A 97 5.984 -7.327 4.698 1.00 0.00 C ATOM 0 H LEU A 97 9.425 -5.697 6.383 1.00 0.00 H new ATOM 0 HA LEU A 97 9.732 -6.323 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.510 -5.193 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.361 -5.235 3.518 1.00 0.00 H new ATOM 0 HG LEU A 97 7.736 -7.669 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.001 -8.921 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.336 -7.768 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.020 -7.387 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.718 -8.383 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.736 -6.847 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.428 -6.849 3.892 1.00 0.00 H new ATOM 1501 N ARG A 98 9.440 -3.115 4.427 1.00 0.00 N ATOM 1502 CA ARG A 98 9.748 -1.719 3.946 1.00 0.00 C ATOM 1503 C ARG A 98 11.105 -1.708 3.221 1.00 0.00 C ATOM 1504 O ARG A 98 11.386 -0.870 2.395 1.00 0.00 O ATOM 1505 CB ARG A 98 9.840 -0.783 5.161 1.00 0.00 C ATOM 1506 CG ARG A 98 8.438 -0.454 5.679 1.00 0.00 C ATOM 1507 CD ARG A 98 8.540 0.176 7.069 1.00 0.00 C ATOM 1508 NE ARG A 98 7.172 0.386 7.621 1.00 0.00 N ATOM 1509 CZ ARG A 98 7.013 0.639 8.891 1.00 0.00 C ATOM 1510 NH1 ARG A 98 8.053 0.709 9.677 1.00 0.00 N ATOM 1511 NH2 ARG A 98 5.816 0.825 9.374 1.00 0.00 N ATOM 0 H ARG A 98 8.999 -3.163 5.346 1.00 0.00 H new ATOM 0 HA ARG A 98 8.962 -1.390 3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.426 -1.255 5.950 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.359 0.135 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.938 0.231 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.833 -1.360 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.116 -0.470 7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.070 1.127 7.011 1.00 0.00 H new ATOM 0 HE ARG A 98 6.360 0.332 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.989 0.566 9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.929 0.907 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.004 0.773 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.692 1.023 10.367 1.00 0.00 H new ATOM 1525 N VAL A 99 11.918 -2.675 3.534 1.00 0.00 N ATOM 1526 CA VAL A 99 13.258 -2.805 2.890 1.00 0.00 C ATOM 1527 C VAL A 99 13.071 -3.519 1.545 1.00 0.00 C ATOM 1528 O VAL A 99 13.648 -3.149 0.543 1.00 0.00 O ATOM 1529 CB VAL A 99 14.192 -3.601 3.838 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.217 -4.425 3.042 1.00 0.00 C ATOM 1531 CG2 VAL A 99 14.946 -2.615 4.748 1.00 0.00 C ATOM 0 H VAL A 99 11.708 -3.397 4.223 1.00 0.00 H new ATOM 0 HA VAL A 99 13.714 -1.832 2.709 1.00 0.00 H new ATOM 0 HB VAL A 99 13.581 -4.282 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.858 -4.973 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.694 -5.130 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.826 -3.757 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.605 -3.168 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.539 -1.935 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.229 -2.042 5.336 1.00 0.00 H new ATOM 1541 N GLN A 100 12.249 -4.522 1.525 1.00 0.00 N ATOM 1542 CA GLN A 100 11.970 -5.266 0.280 1.00 0.00 C ATOM 1543 C GLN A 100 11.789 -4.307 -0.898 1.00 0.00 C ATOM 1544 O GLN A 100 12.473 -4.402 -1.898 1.00 0.00 O ATOM 1545 CB GLN A 100 10.666 -6.028 0.497 1.00 0.00 C ATOM 1546 CG GLN A 100 10.509 -7.112 -0.548 1.00 0.00 C ATOM 1547 CD GLN A 100 9.059 -7.609 -0.528 1.00 0.00 C ATOM 1548 OE1 GLN A 100 8.310 -7.374 -1.454 1.00 0.00 O ATOM 1549 NE2 GLN A 100 8.627 -8.283 0.502 1.00 0.00 N ATOM 0 H GLN A 100 11.746 -4.864 2.344 1.00 0.00 H new ATOM 0 HA GLN A 100 12.800 -5.934 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.657 -6.470 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.822 -5.340 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.762 -6.725 -1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.193 -7.935 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.255 -8.482 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.662 -8.611 0.528 1.00 0.00 H new ATOM 1558 N ALA A 101 10.840 -3.408 -0.807 1.00 0.00 N ATOM 1559 CA ALA A 101 10.585 -2.475 -1.956 1.00 0.00 C ATOM 1560 C ALA A 101 11.433 -1.202 -1.844 1.00 0.00 C ATOM 1561 O ALA A 101 11.839 -0.647 -2.846 1.00 0.00 O ATOM 1562 CB ALA A 101 9.099 -2.116 -2.002 1.00 0.00 C ATOM 0 H ALA A 101 10.235 -3.278 0.003 1.00 0.00 H new ATOM 0 HA ALA A 101 10.869 -2.981 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.914 -1.439 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.509 -3.023 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.813 -1.630 -1.069 1.00 0.00 H new ATOM 1568 N ASN A 102 11.725 -0.728 -0.668 1.00 0.00 N ATOM 1569 CA ASN A 102 12.565 0.504 -0.579 1.00 0.00 C ATOM 1570 C ASN A 102 13.993 0.152 -1.006 1.00 0.00 C ATOM 1571 O ASN A 102 14.954 0.622 -0.430 1.00 0.00 O ATOM 1572 CB ASN A 102 12.583 1.035 0.855 1.00 0.00 C ATOM 1573 CG ASN A 102 13.261 2.407 0.880 1.00 0.00 C ATOM 1574 OD1 ASN A 102 12.677 3.393 0.478 1.00 0.00 O ATOM 1575 ND2 ASN A 102 14.479 2.511 1.339 1.00 0.00 N ATOM 0 H ASN A 102 11.427 -1.128 0.222 1.00 0.00 H new ATOM 0 HA ASN A 102 12.150 1.273 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.566 1.113 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.117 0.341 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 102 14.940 3.421 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.969 1.683 1.677 1.00 0.00 H new ATOM 1582 N ASN A 103 14.135 -0.683 -2.010 1.00 0.00 N ATOM 1583 CA ASN A 103 15.493 -1.094 -2.489 1.00 0.00 C ATOM 1584 C ASN A 103 15.580 -0.877 -4.012 1.00 0.00 C ATOM 1585 O ASN A 103 15.315 -1.794 -4.764 1.00 0.00 O ATOM 1586 CB ASN A 103 15.684 -2.583 -2.193 1.00 0.00 C ATOM 1587 CG ASN A 103 17.129 -2.983 -2.493 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.533 -3.041 -3.731 1.00 0.00 O flip ATOM 1589 ND2 ASN A 103 17.898 -3.247 -1.590 1.00 0.00 N flip ATOM 0 H ASN A 103 13.358 -1.101 -2.523 1.00 0.00 H new ATOM 0 HA ASN A 103 16.260 -0.504 -1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.448 -2.790 -1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.998 -3.176 -2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.582 -3.202 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.860 -3.514 -1.801 1.00 0.00 H new ATOM 1596 N PRO A 104 15.934 0.321 -4.443 1.00 0.00 N ATOM 1597 CA PRO A 104 16.028 0.618 -5.887 1.00 0.00 C ATOM 1598 C PRO A 104 16.986 -0.363 -6.579 1.00 0.00 C ATOM 1599 O PRO A 104 16.777 -0.745 -7.713 1.00 0.00 O ATOM 1600 CB PRO A 104 16.539 2.076 -5.961 1.00 0.00 C ATOM 1601 CG PRO A 104 16.510 2.647 -4.515 1.00 0.00 C ATOM 1602 CD PRO A 104 16.266 1.460 -3.557 1.00 0.00 C ATOM 0 HA PRO A 104 15.073 0.508 -6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.550 2.109 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.910 2.671 -6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.451 3.144 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.721 3.392 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.150 1.249 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.452 1.672 -2.864 1.00 0.00 H new ATOM 1610 N GLN A 105 18.026 -0.783 -5.912 1.00 0.00 N ATOM 1611 CA GLN A 105 18.968 -1.744 -6.555 1.00 0.00 C ATOM 1612 C GLN A 105 18.218 -3.049 -6.842 1.00 0.00 C ATOM 1613 O GLN A 105 18.692 -3.910 -7.556 1.00 0.00 O ATOM 1614 CB GLN A 105 20.150 -2.015 -5.621 1.00 0.00 C ATOM 1615 CG GLN A 105 20.998 -0.747 -5.490 1.00 0.00 C ATOM 1616 CD GLN A 105 22.126 -0.986 -4.484 1.00 0.00 C ATOM 1617 OE1 GLN A 105 22.897 -1.914 -4.628 1.00 0.00 O ATOM 1618 NE2 GLN A 105 22.256 -0.181 -3.465 1.00 0.00 N ATOM 0 H GLN A 105 18.263 -0.506 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 105 19.348 -1.325 -7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.789 -2.327 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.756 -2.832 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 105 21.414 -0.474 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.376 0.086 -5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.609 0.598 -3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.005 -0.331 -2.789 1.00 0.00 H new ATOM 1627 N GLN A 106 17.040 -3.186 -6.292 1.00 0.00 N ATOM 1628 CA GLN A 106 16.222 -4.416 -6.520 1.00 0.00 C ATOM 1629 C GLN A 106 14.744 -4.023 -6.464 1.00 0.00 C ATOM 1630 O GLN A 106 14.073 -4.221 -5.470 1.00 0.00 O ATOM 1631 CB GLN A 106 16.524 -5.444 -5.426 1.00 0.00 C ATOM 1632 CG GLN A 106 18.031 -5.711 -5.374 1.00 0.00 C ATOM 1633 CD GLN A 106 18.309 -6.913 -4.469 1.00 0.00 C ATOM 1634 OE1 GLN A 106 18.239 -6.807 -3.261 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.624 -8.059 -5.007 1.00 0.00 N ATOM 0 H GLN A 106 16.604 -2.490 -5.687 1.00 0.00 H new ATOM 0 HA GLN A 106 16.459 -4.854 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.176 -5.076 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.987 -6.371 -5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.411 -5.903 -6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.554 -4.831 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 106 18.683 -8.147 -6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.812 -8.867 -4.413 1.00 0.00 H new ATOM 1644 N GLN A 107 14.242 -3.434 -7.517 1.00 0.00 N ATOM 1645 CA GLN A 107 12.817 -2.985 -7.527 1.00 0.00 C ATOM 1646 C GLN A 107 11.879 -4.118 -7.975 1.00 0.00 C ATOM 1647 O GLN A 107 10.677 -3.955 -7.985 1.00 0.00 O ATOM 1648 CB GLN A 107 12.671 -1.804 -8.488 1.00 0.00 C ATOM 1649 CG GLN A 107 13.149 -2.213 -9.883 1.00 0.00 C ATOM 1650 CD GLN A 107 13.075 -1.007 -10.822 1.00 0.00 C ATOM 1651 OE1 GLN A 107 12.053 -0.757 -11.429 1.00 0.00 O ATOM 1652 NE2 GLN A 107 14.123 -0.243 -10.966 1.00 0.00 N ATOM 0 H GLN A 107 14.760 -3.243 -8.375 1.00 0.00 H new ATOM 0 HA GLN A 107 12.542 -2.691 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.630 -1.483 -8.529 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.253 -0.955 -8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.172 -2.587 -9.834 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.531 -3.025 -10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.981 -0.453 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 107 14.084 0.564 -11.588 1.00 0.00 H new ATOM 1661 N GLY A 108 12.400 -5.260 -8.348 1.00 0.00 N ATOM 1662 CA GLY A 108 11.500 -6.378 -8.789 1.00 0.00 C ATOM 1663 C GLY A 108 10.357 -6.527 -7.786 1.00 0.00 C ATOM 1664 O GLY A 108 9.199 -6.427 -8.107 1.00 0.00 O ATOM 0 H GLY A 108 13.398 -5.469 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.103 -6.171 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.063 -7.309 -8.858 1.00 0.00 H new ATOM 1668 N LEU A 109 10.684 -6.730 -6.562 1.00 0.00 N ATOM 1669 CA LEU A 109 9.614 -6.834 -5.541 1.00 0.00 C ATOM 1670 C LEU A 109 8.740 -5.584 -5.652 1.00 0.00 C ATOM 1671 O LEU A 109 7.539 -5.677 -5.693 1.00 0.00 O ATOM 1672 CB LEU A 109 10.226 -6.965 -4.145 1.00 0.00 C ATOM 1673 CG LEU A 109 10.807 -8.386 -3.933 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.705 -9.378 -3.523 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.495 -8.917 -5.201 1.00 0.00 C ATOM 0 H LEU A 109 11.638 -6.829 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 109 9.005 -7.722 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.013 -6.222 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.468 -6.760 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 109 11.545 -8.302 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.140 -10.367 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.245 -9.047 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.947 -9.424 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.889 -9.915 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.772 -8.961 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.313 -8.251 -5.477 1.00 0.00 H new ATOM 1687 N ARG A 110 9.316 -4.419 -5.699 1.00 0.00 N ATOM 1688 CA ARG A 110 8.477 -3.180 -5.806 1.00 0.00 C ATOM 1689 C ARG A 110 7.323 -3.385 -6.811 1.00 0.00 C ATOM 1690 O ARG A 110 6.212 -2.950 -6.578 1.00 0.00 O ATOM 1691 CB ARG A 110 9.347 -2.000 -6.260 1.00 0.00 C ATOM 1692 CG ARG A 110 8.642 -0.682 -5.926 1.00 0.00 C ATOM 1693 CD ARG A 110 9.478 0.489 -6.445 1.00 0.00 C ATOM 1694 NE ARG A 110 10.677 0.667 -5.578 1.00 0.00 N ATOM 1695 CZ ARG A 110 11.674 1.404 -5.986 1.00 0.00 C ATOM 1696 NH1 ARG A 110 11.618 1.990 -7.150 1.00 0.00 N ATOM 1697 NH2 ARG A 110 12.725 1.557 -5.228 1.00 0.00 N ATOM 0 H ARG A 110 10.324 -4.263 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 110 8.053 -2.967 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.318 -2.040 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.532 -2.063 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.650 -0.663 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.503 -0.594 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.785 0.303 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.881 1.401 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 110 10.719 0.213 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.795 1.872 -7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.397 2.566 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.767 1.101 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.504 2.133 -5.547 1.00 0.00 H new ATOM 1711 N ARG A 111 7.560 -4.061 -7.913 1.00 0.00 N ATOM 1712 CA ARG A 111 6.452 -4.286 -8.903 1.00 0.00 C ATOM 1713 C ARG A 111 5.704 -5.584 -8.565 1.00 0.00 C ATOM 1714 O ARG A 111 4.493 -5.646 -8.667 1.00 0.00 O ATOM 1715 CB ARG A 111 7.010 -4.363 -10.327 1.00 0.00 C ATOM 1716 CG ARG A 111 8.199 -5.315 -10.356 1.00 0.00 C ATOM 1717 CD ARG A 111 8.684 -5.498 -11.786 1.00 0.00 C ATOM 1718 NE ARG A 111 7.741 -6.388 -12.520 1.00 0.00 N ATOM 1719 CZ ARG A 111 7.793 -6.464 -13.822 1.00 0.00 C ATOM 1720 NH1 ARG A 111 8.675 -5.765 -14.482 1.00 0.00 N ATOM 1721 NH2 ARG A 111 6.965 -7.242 -14.464 1.00 0.00 N ATOM 0 H ARG A 111 8.462 -4.463 -8.169 1.00 0.00 H new ATOM 0 HA ARG A 111 5.760 -3.446 -8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.237 -4.708 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.316 -3.372 -10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.006 -4.922 -9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.914 -6.279 -9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.751 -4.531 -12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.685 -5.929 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 111 7.054 -6.938 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.324 -5.159 -13.981 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.715 -5.825 -15.499 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.277 -7.791 -13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.006 -7.301 -15.481 1.00 0.00 H new ATOM 1735 N GLU A 112 6.388 -6.611 -8.135 1.00 0.00 N ATOM 1736 CA GLU A 112 5.663 -7.865 -7.773 1.00 0.00 C ATOM 1737 C GLU A 112 4.975 -7.629 -6.435 1.00 0.00 C ATOM 1738 O GLU A 112 3.795 -7.871 -6.276 1.00 0.00 O ATOM 1739 CB GLU A 112 6.641 -9.035 -7.650 1.00 0.00 C ATOM 1740 CG GLU A 112 5.855 -10.331 -7.428 1.00 0.00 C ATOM 1741 CD GLU A 112 6.830 -11.483 -7.174 1.00 0.00 C ATOM 1742 OE1 GLU A 112 7.563 -11.409 -6.201 1.00 0.00 O ATOM 1743 OE2 GLU A 112 6.826 -12.419 -7.955 1.00 0.00 O ATOM 0 H GLU A 112 7.401 -6.638 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 112 4.936 -8.113 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.247 -9.114 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.326 -8.865 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.180 -10.218 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.238 -10.548 -8.300 1.00 0.00 H new ATOM 1750 N TYR A 113 5.712 -7.128 -5.479 1.00 0.00 N ATOM 1751 CA TYR A 113 5.129 -6.826 -4.143 1.00 0.00 C ATOM 1752 C TYR A 113 3.788 -6.130 -4.354 1.00 0.00 C ATOM 1753 O TYR A 113 2.754 -6.645 -3.978 1.00 0.00 O ATOM 1754 CB TYR A 113 6.073 -5.902 -3.371 1.00 0.00 C ATOM 1755 CG TYR A 113 5.501 -5.618 -2.001 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.512 -6.614 -1.017 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.962 -4.357 -1.713 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.986 -6.349 0.253 1.00 0.00 C ATOM 1759 CE2 TYR A 113 4.435 -4.093 -0.444 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.447 -5.088 0.539 1.00 0.00 C ATOM 1761 OH TYR A 113 3.929 -4.827 1.791 1.00 0.00 O ATOM 0 H TYR A 113 6.705 -6.913 -5.570 1.00 0.00 H new ATOM 0 HA TYR A 113 4.990 -7.745 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 113 7.055 -6.366 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.212 -4.969 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.926 -7.587 -1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.953 -3.588 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.996 -7.117 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.019 -3.121 -0.224 1.00 0.00 H new ATOM 0 HH TYR A 113 3.597 -3.906 1.822 1.00 0.00 H new ATOM 1771 N GLN A 114 3.794 -4.962 -4.957 1.00 0.00 N ATOM 1772 CA GLN A 114 2.514 -4.236 -5.201 1.00 0.00 C ATOM 1773 C GLN A 114 1.435 -5.218 -5.675 1.00 0.00 C ATOM 1774 O GLN A 114 0.314 -5.197 -5.210 1.00 0.00 O ATOM 1775 CB GLN A 114 2.736 -3.170 -6.277 1.00 0.00 C ATOM 1776 CG GLN A 114 3.620 -2.047 -5.718 1.00 0.00 C ATOM 1777 CD GLN A 114 2.789 -1.122 -4.825 1.00 0.00 C ATOM 1778 OE1 GLN A 114 1.713 -1.480 -4.390 1.00 0.00 O ATOM 1779 NE2 GLN A 114 3.249 0.063 -4.530 1.00 0.00 N ATOM 0 H GLN A 114 4.632 -4.484 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 114 2.186 -3.766 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.208 -3.616 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 114 1.779 -2.764 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.445 -2.473 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.060 -1.477 -6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.153 0.365 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.705 0.688 -3.935 1.00 0.00 H new ATOM 1788 N GLN A 115 1.774 -6.086 -6.589 1.00 0.00 N ATOM 1789 CA GLN A 115 0.778 -7.074 -7.093 1.00 0.00 C ATOM 1790 C GLN A 115 0.164 -7.824 -5.908 1.00 0.00 C ATOM 1791 O GLN A 115 -1.017 -8.114 -5.884 1.00 0.00 O ATOM 1792 CB GLN A 115 1.477 -8.067 -8.034 1.00 0.00 C ATOM 1793 CG GLN A 115 0.444 -8.747 -8.937 1.00 0.00 C ATOM 1794 CD GLN A 115 -0.510 -9.588 -8.087 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -0.130 -10.616 -7.564 1.00 0.00 O ATOM 1796 NE2 GLN A 115 -1.743 -9.191 -7.927 1.00 0.00 N ATOM 0 H GLN A 115 2.701 -6.154 -7.010 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.011 -6.557 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.217 -7.546 -8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 115 2.013 -8.817 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.116 -7.996 -9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 115 0.947 -9.379 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.062 -8.327 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.388 -9.744 -7.363 1.00 0.00 H new ATOM 1805 N LEU A 116 0.952 -8.117 -4.911 1.00 0.00 N ATOM 1806 CA LEU A 116 0.413 -8.826 -3.715 1.00 0.00 C ATOM 1807 C LEU A 116 -0.213 -7.789 -2.784 1.00 0.00 C ATOM 1808 O LEU A 116 -1.049 -8.094 -1.952 1.00 0.00 O ATOM 1809 CB LEU A 116 1.550 -9.553 -2.986 1.00 0.00 C ATOM 1810 CG LEU A 116 2.433 -10.284 -4.001 1.00 0.00 C ATOM 1811 CD1 LEU A 116 3.563 -11.007 -3.266 1.00 0.00 C ATOM 1812 CD2 LEU A 116 1.590 -11.306 -4.769 1.00 0.00 C ATOM 0 H LEU A 116 1.947 -7.896 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.334 -9.559 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.147 -8.838 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.139 -10.264 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 116 2.856 -9.562 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.192 -11.528 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.164 -10.281 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.139 -11.728 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.218 -11.826 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.167 -12.027 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.784 -10.793 -5.293 1.00 0.00 H new ATOM 1824 N TRP A 117 0.170 -6.556 -2.942 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.400 -5.481 -2.097 1.00 0.00 C ATOM 1826 C TRP A 117 -1.829 -5.199 -2.559 1.00 0.00 C ATOM 1827 O TRP A 117 -2.710 -4.976 -1.754 1.00 0.00 O ATOM 1828 CB TRP A 117 0.462 -4.223 -2.241 1.00 0.00 C ATOM 1829 CG TRP A 117 0.246 -3.300 -1.083 1.00 0.00 C ATOM 1830 CD1 TRP A 117 1.009 -3.269 0.033 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.769 -2.268 -0.913 1.00 0.00 C ATOM 1832 NE1 TRP A 117 0.522 -2.293 0.882 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.571 -1.645 0.342 1.00 0.00 C ATOM 1834 CE3 TRP A 117 -1.832 -1.817 -1.715 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -1.397 -0.613 0.785 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 -2.666 -0.776 -1.273 1.00 0.00 C ATOM 1837 CH2 TRP A 117 -2.448 -0.175 -0.025 1.00 0.00 C ATOM 0 H TRP A 117 0.860 -6.247 -3.627 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.413 -5.784 -1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.514 -4.502 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.216 -3.711 -3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 117 1.861 -3.904 0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 117 0.921 -2.078 1.796 1.00 0.00 H new ATOM 0 HE3 TRP A 117 -2.009 -2.274 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.226 -0.155 1.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 -3.479 -0.437 -1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -3.091 0.625 0.310 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.087 -5.241 -3.845 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.474 -5.004 -4.316 1.00 0.00 C ATOM 1850 C LEU A 118 -4.293 -6.258 -4.012 1.00 0.00 C ATOM 1851 O LEU A 118 -5.484 -6.191 -3.794 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.488 -4.722 -5.831 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.101 -3.258 -6.159 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -3.988 -2.248 -5.400 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -1.624 -3.008 -5.829 1.00 0.00 C ATOM 0 H LEU A 118 -1.400 -5.428 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.898 -4.137 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.796 -5.399 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.481 -4.931 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.262 -3.110 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.685 -1.233 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.031 -2.397 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.875 -2.400 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.368 -1.975 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.452 -3.191 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -1.001 -3.680 -6.419 1.00 0.00 H new ATOM 1867 N ALA A 119 -3.661 -7.403 -3.954 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.419 -8.638 -3.616 1.00 0.00 C ATOM 1869 C ALA A 119 -4.855 -8.522 -2.158 1.00 0.00 C ATOM 1870 O ALA A 119 -5.816 -9.134 -1.735 1.00 0.00 O ATOM 1871 CB ALA A 119 -3.547 -9.879 -3.819 1.00 0.00 C ATOM 0 H ALA A 119 -2.664 -7.532 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.287 -8.742 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.120 -10.771 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.229 -9.934 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -2.670 -9.817 -3.175 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.203 -7.676 -1.405 1.00 0.00 N ATOM 1878 CA ALA A 120 -4.624 -7.439 0.007 1.00 0.00 C ATOM 1879 C ALA A 120 -5.437 -6.149 0.027 1.00 0.00 C ATOM 1880 O ALA A 120 -5.960 -5.759 1.051 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.407 -7.256 0.910 1.00 0.00 C ATOM 0 H ALA A 120 -3.393 -7.136 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.201 -8.291 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.737 -7.084 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.788 -8.153 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.826 -6.400 0.568 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.543 -5.480 -1.106 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.325 -4.203 -1.175 1.00 0.00 C ATOM 1889 C PHE A 121 -7.575 -4.398 -2.060 1.00 0.00 C ATOM 1890 O PHE A 121 -8.528 -3.650 -1.969 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.423 -3.075 -1.735 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.562 -1.821 -0.892 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -5.057 -1.805 0.414 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -6.189 -0.685 -1.412 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -5.178 -0.654 1.199 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -6.309 0.468 -0.626 1.00 0.00 C ATOM 1897 CZ PHE A 121 -5.804 0.484 0.679 1.00 0.00 C ATOM 0 H PHE A 121 -5.118 -5.769 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.656 -3.922 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.383 -3.402 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.698 -2.859 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.573 -2.683 0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.580 -0.696 -2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.788 -0.644 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -6.792 1.346 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.897 1.374 1.284 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.575 -5.396 -2.916 1.00 0.00 N ATOM 1908 CA ALA A 122 -8.760 -5.642 -3.812 1.00 0.00 C ATOM 1909 C ALA A 122 -9.643 -6.748 -3.235 1.00 0.00 C ATOM 1910 O ALA A 122 -10.848 -6.699 -3.384 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.296 -5.982 -5.235 1.00 0.00 C ATOM 0 H ALA A 122 -6.804 -6.054 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.356 -4.731 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.165 -6.157 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.715 -5.152 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.678 -6.879 -5.211 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.116 -7.687 -2.523 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.017 -8.695 -1.897 1.00 0.00 C ATOM 1919 C ALA A 123 -10.412 -8.104 -0.546 1.00 0.00 C ATOM 1920 O ALA A 123 -10.707 -8.806 0.400 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.266 -10.012 -1.692 1.00 0.00 C ATOM 0 H ALA A 123 -8.119 -7.808 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.887 -8.906 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -9.932 -10.743 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -8.922 -10.388 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.408 -9.844 -1.040 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.313 -6.797 -0.437 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.564 -6.131 0.871 1.00 0.00 C ATOM 1929 C LEU A 124 -12.019 -6.294 1.369 1.00 0.00 C ATOM 1930 O LEU A 124 -12.238 -6.878 2.412 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.222 -4.620 0.770 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.912 -4.306 1.519 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.492 -2.860 1.232 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.101 -4.490 3.037 1.00 0.00 C ATOM 0 H LEU A 124 -10.069 -6.168 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.918 -6.623 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.126 -4.333 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.037 -4.029 1.189 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.139 -4.992 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.566 -2.638 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.337 -2.732 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.274 -2.180 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.166 -4.264 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.881 -3.816 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.390 -5.520 3.245 1.00 0.00 H new ATOM 1946 N PRO A 125 -12.982 -5.721 0.627 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.400 -5.748 1.034 1.00 0.00 C ATOM 1948 C PRO A 125 -14.739 -7.112 1.581 1.00 0.00 C ATOM 1949 O PRO A 125 -15.151 -7.252 2.715 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.193 -5.403 -0.251 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.153 -5.037 -1.347 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.759 -5.058 -0.682 1.00 0.00 C ATOM 0 HA PRO A 125 -14.639 -5.040 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.803 -6.250 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.873 -4.570 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.196 -5.749 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.365 -4.053 -1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.038 -5.608 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.365 -4.050 -0.554 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.564 -8.118 0.790 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.875 -9.484 1.268 1.00 0.00 C ATOM 1962 C GLY A 126 -13.619 -10.128 1.855 1.00 0.00 C ATOM 1963 O GLY A 126 -13.209 -11.186 1.427 1.00 0.00 O ATOM 0 H GLY A 126 -14.219 -8.057 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.661 -9.445 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.254 -10.089 0.445 1.00 0.00 H new ATOM 1967 N SER A 127 -13.095 -9.550 2.923 1.00 0.00 N ATOM 1968 CA SER A 127 -11.936 -10.193 3.638 1.00 0.00 C ATOM 1969 C SER A 127 -11.436 -9.340 4.819 1.00 0.00 C ATOM 1970 O SER A 127 -11.619 -9.696 5.967 1.00 0.00 O ATOM 1971 CB SER A 127 -10.753 -10.482 2.695 1.00 0.00 C ATOM 1972 OG SER A 127 -10.007 -11.576 3.210 1.00 0.00 O ATOM 0 H SER A 127 -13.418 -8.670 3.325 1.00 0.00 H new ATOM 0 HA SER A 127 -12.321 -11.139 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.117 -10.713 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.117 -9.601 2.608 1.00 0.00 H new ATOM 0 HG SER A 127 -9.253 -11.767 2.614 1.00 0.00 H new ATOM 1978 N ALA A 128 -10.756 -8.257 4.544 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.173 -7.409 5.645 1.00 0.00 C ATOM 1980 C ALA A 128 -10.642 -5.954 5.547 1.00 0.00 C ATOM 1981 O ALA A 128 -9.839 -5.044 5.512 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.654 -7.433 5.489 1.00 0.00 C ATOM 0 H ALA A 128 -10.575 -7.916 3.600 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.496 -7.807 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.198 -6.827 6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.296 -8.459 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.382 -7.029 4.514 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.922 -5.723 5.466 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.421 -4.308 5.325 1.00 0.00 C ATOM 1990 C LYS A 129 -13.736 -4.087 6.070 1.00 0.00 C ATOM 1991 O LYS A 129 -13.968 -3.045 6.648 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.647 -4.046 3.828 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.647 -2.891 3.606 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.582 -2.383 2.155 1.00 0.00 C ATOM 1995 CE LYS A 129 -12.563 -1.240 2.025 1.00 0.00 C ATOM 1996 NZ LYS A 129 -11.375 -1.515 2.880 1.00 0.00 N ATOM 0 H LYS A 129 -12.647 -6.440 5.490 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.684 -3.629 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -11.697 -3.804 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.022 -4.951 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.658 -3.231 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.424 -2.074 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.305 -3.201 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.567 -2.037 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -12.255 -1.133 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -13.023 -0.297 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -10.692 -0.737 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -11.673 -1.595 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -10.929 -2.405 2.579 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.605 -5.047 6.017 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.917 -4.857 6.692 1.00 0.00 C ATOM 2012 C ASP A 130 -16.527 -3.532 6.192 1.00 0.00 C ATOM 2013 O ASP A 130 -16.528 -2.556 6.916 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.676 -4.752 8.205 1.00 0.00 C ATOM 2015 CG ASP A 130 -14.719 -5.861 8.646 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -15.161 -6.994 8.741 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -13.561 -5.558 8.881 1.00 0.00 O ATOM 0 H ASP A 130 -14.472 -5.942 5.546 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.587 -5.690 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -15.257 -3.776 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -16.621 -4.837 8.742 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.023 -3.521 4.967 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.627 -2.306 4.376 1.00 0.00 C ATOM 2024 C PRO A 131 -18.890 -1.920 5.163 1.00 0.00 C ATOM 2025 O PRO A 131 -19.842 -1.390 4.626 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.935 -2.663 2.908 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.539 -4.157 2.717 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.029 -4.697 4.078 1.00 0.00 C ATOM 0 HA PRO A 131 -16.965 -1.441 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.991 -2.512 2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.372 -2.024 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.396 -4.737 2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.765 -4.251 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.681 -5.481 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.032 -5.128 3.985 1.00 0.00 H new ATOM 2036 N SER A 132 -18.847 -2.113 6.453 1.00 0.00 N ATOM 2037 CA SER A 132 -19.958 -1.700 7.346 1.00 0.00 C ATOM 2038 C SER A 132 -19.458 -0.431 8.029 1.00 0.00 C ATOM 2039 O SER A 132 -20.060 0.102 8.940 1.00 0.00 O ATOM 2040 CB SER A 132 -20.204 -2.786 8.396 1.00 0.00 C ATOM 2041 OG SER A 132 -19.039 -2.939 9.196 1.00 0.00 O ATOM 0 H SER A 132 -18.063 -2.553 6.935 1.00 0.00 H new ATOM 0 HA SER A 132 -20.890 -1.541 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 132 -21.056 -2.517 9.021 1.00 0.00 H new ATOM 0 HB3 SER A 132 -20.451 -3.729 7.909 1.00 0.00 H new ATOM 0 HG SER A 132 -19.194 -3.633 9.871 1.00 0.00 H new ATOM 2047 N TRP A 133 -18.336 0.041 7.543 1.00 0.00 N ATOM 2048 CA TRP A 133 -17.699 1.278 8.082 1.00 0.00 C ATOM 2049 C TRP A 133 -16.433 1.580 7.273 1.00 0.00 C ATOM 2050 O TRP A 133 -15.421 1.976 7.814 1.00 0.00 O ATOM 2051 CB TRP A 133 -17.311 1.074 9.550 1.00 0.00 C ATOM 2052 CG TRP A 133 -16.928 2.389 10.149 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -17.767 3.435 10.328 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -15.627 2.818 10.647 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -17.065 4.478 10.906 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -15.742 4.146 11.121 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -14.372 2.189 10.733 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -14.651 4.827 11.662 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -13.271 2.872 11.276 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -13.410 4.187 11.740 1.00 0.00 C ATOM 0 H TRP A 133 -17.824 -0.393 6.775 1.00 0.00 H new ATOM 0 HA TRP A 133 -18.405 2.105 8.007 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -18.145 0.640 10.101 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -16.480 0.372 9.624 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -18.814 3.453 10.063 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -17.475 5.381 11.144 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -14.254 1.175 10.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -14.764 5.840 12.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -12.311 2.380 11.336 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -12.560 4.706 12.157 1.00 0.00 H new ATOM 2071 N ALA A 134 -16.479 1.392 5.979 1.00 0.00 N ATOM 2072 CA ALA A 134 -15.283 1.663 5.131 1.00 0.00 C ATOM 2073 C ALA A 134 -15.331 3.111 4.636 1.00 0.00 C ATOM 2074 O ALA A 134 -14.647 3.409 3.671 1.00 0.00 O ATOM 2075 CB ALA A 134 -15.299 0.706 3.932 1.00 0.00 C ATOM 2076 OXT ALA A 134 -16.050 3.897 5.231 1.00 0.00 O ATOM 0 H ALA A 134 -17.300 1.060 5.472 1.00 0.00 H new ATOM 0 HA ALA A 134 -14.372 1.512 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -14.428 0.895 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -15.273 -0.324 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -16.207 0.866 3.351 1.00 0.00 H new TER 2082 ALA A 134