USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 68:sc= 0.801 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.227 K(o=0.57,f=-1.5!) USER MOD Set 2.1: A 91 HIS : no HD1:sc= -1.66 K(o=-0.73,f=0.26) USER MOD Set 2.2: A 95 THR OG1 : rot -118:sc= 0.926 USER MOD Set 3.1: A 46 SER OG : rot 80:sc= 0.00387 USER MOD Set 3.2: A 64 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-4.4!) USER MOD Set 4.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 17 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.225 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 4:sc= 1.3 USER MOD Single : A 10 HIS : no HD1:sc= 0.56 K(o=0.56,f=-2.4!) USER MOD Single : A 12 HIS : no HD1:sc= -1.07! C(o=-1.1!,f=-0.92!) USER MOD Single : A 13 MET CE :methyl 166:sc= 0 (180deg=-0.35) USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.0499 USER MOD Single : A 23 GLN : amide:sc= -1.53! C(o=-1.5!,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.8) USER MOD Single : A 49 SER OG : rot -30:sc= -0.505 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -57:sc= 0.693 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= 0.0909 (180deg=-0.0476) USER MOD Single : A 68 MET CE :methyl -142:sc= -2.36 (180deg=-4.57!) USER MOD Single : A 69 CYS SG : rot 97:sc= 0.934 USER MOD Single : A 74 TYR OH : rot -58:sc= 1.41 USER MOD Single : A 75 THR OG1 : rot 170:sc= 1.13 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 71:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -173:sc= 0 (180deg=-0.102) USER MOD Single : B 3 ASN : amide:sc= 0.126 K(o=0.13,f=-4!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -2.68! C(o=-2.7!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.922 -12.534 -19.058 1.00 0.00 N ATOM 2 CA GLY A 1 13.886 -11.957 -17.726 1.00 0.00 C ATOM 3 C GLY A 1 13.600 -10.469 -17.746 1.00 0.00 C ATOM 4 O GLY A 1 12.729 -9.988 -17.021 1.00 0.00 O ATOM 0 H1 GLY A 1 14.121 -13.553 -18.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.003 -12.391 -19.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.668 -12.072 -19.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.122 -12.463 -17.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.841 -12.134 -17.231 1.00 0.00 H new ATOM 8 N SER A 2 14.336 -9.738 -18.576 1.00 0.00 N ATOM 9 CA SER A 2 14.162 -8.294 -18.683 1.00 0.00 C ATOM 10 C SER A 2 12.684 -7.920 -18.617 1.00 0.00 C ATOM 11 O SER A 2 11.834 -8.598 -19.194 1.00 0.00 O ATOM 12 CB SER A 2 14.773 -7.780 -19.987 1.00 0.00 C ATOM 13 OG SER A 2 14.794 -6.363 -20.017 1.00 0.00 O ATOM 0 H SER A 2 15.059 -10.122 -19.185 1.00 0.00 H new ATOM 0 HA SER A 2 14.675 -7.827 -17.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.788 -8.164 -20.093 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.199 -8.156 -20.834 1.00 0.00 H new ATOM 0 HG SER A 2 15.191 -6.059 -20.860 1.00 0.00 H new ATOM 19 N SER A 3 12.386 -6.834 -17.910 1.00 0.00 N ATOM 20 CA SER A 3 11.011 -6.370 -17.765 1.00 0.00 C ATOM 21 C SER A 3 10.924 -4.859 -17.957 1.00 0.00 C ATOM 22 O SER A 3 11.869 -4.130 -17.660 1.00 0.00 O ATOM 23 CB SER A 3 10.463 -6.754 -16.389 1.00 0.00 C ATOM 24 OG SER A 3 9.050 -6.649 -16.357 1.00 0.00 O ATOM 0 H SER A 3 13.078 -6.259 -17.429 1.00 0.00 H new ATOM 0 HA SER A 3 10.408 -6.851 -18.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.761 -7.774 -16.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.897 -6.106 -15.627 1.00 0.00 H new ATOM 0 HG SER A 3 8.723 -6.901 -15.468 1.00 0.00 H new ATOM 30 N GLY A 4 9.782 -4.396 -18.456 1.00 0.00 N ATOM 31 CA GLY A 4 9.592 -2.974 -18.679 1.00 0.00 C ATOM 32 C GLY A 4 8.640 -2.353 -17.678 1.00 0.00 C ATOM 33 O GLY A 4 7.517 -1.984 -18.023 1.00 0.00 O ATOM 0 H GLY A 4 8.985 -4.980 -18.710 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.556 -2.468 -18.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.209 -2.815 -19.687 1.00 0.00 H new ATOM 37 N SER A 5 9.088 -2.236 -16.431 1.00 0.00 N ATOM 38 CA SER A 5 8.266 -1.660 -15.374 1.00 0.00 C ATOM 39 C SER A 5 6.906 -2.348 -15.307 1.00 0.00 C ATOM 40 O SER A 5 5.868 -1.689 -15.247 1.00 0.00 O ATOM 41 CB SER A 5 8.080 -0.159 -15.605 1.00 0.00 C ATOM 42 OG SER A 5 9.236 0.564 -15.217 1.00 0.00 O ATOM 0 H SER A 5 10.016 -2.533 -16.129 1.00 0.00 H new ATOM 0 HA SER A 5 8.778 -1.814 -14.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.868 0.027 -16.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.219 0.195 -15.039 1.00 0.00 H new ATOM 0 HG SER A 5 9.092 1.520 -15.376 1.00 0.00 H new ATOM 48 N SER A 6 6.921 -3.677 -15.318 1.00 0.00 N ATOM 49 CA SER A 6 5.689 -4.455 -15.263 1.00 0.00 C ATOM 50 C SER A 6 5.462 -5.013 -13.861 1.00 0.00 C ATOM 51 O SER A 6 6.356 -5.614 -13.268 1.00 0.00 O ATOM 52 CB SER A 6 5.738 -5.600 -16.277 1.00 0.00 C ATOM 53 OG SER A 6 4.703 -6.538 -16.039 1.00 0.00 O ATOM 0 H SER A 6 7.772 -4.237 -15.364 1.00 0.00 H new ATOM 0 HA SER A 6 4.859 -3.794 -15.512 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.645 -5.200 -17.287 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.705 -6.099 -16.220 1.00 0.00 H new ATOM 0 HG SER A 6 4.756 -7.258 -16.701 1.00 0.00 H new ATOM 59 N GLY A 7 4.257 -4.807 -13.338 1.00 0.00 N ATOM 60 CA GLY A 7 3.931 -5.295 -12.011 1.00 0.00 C ATOM 61 C GLY A 7 4.153 -4.247 -10.938 1.00 0.00 C ATOM 62 O GLY A 7 4.865 -3.266 -11.156 1.00 0.00 O ATOM 0 H GLY A 7 3.501 -4.311 -13.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.890 -5.616 -11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.540 -6.172 -11.790 1.00 0.00 H new ATOM 66 N TRP A 8 3.543 -4.453 -9.776 1.00 0.00 N ATOM 67 CA TRP A 8 3.676 -3.517 -8.666 1.00 0.00 C ATOM 68 C TRP A 8 4.223 -4.216 -7.426 1.00 0.00 C ATOM 69 O TRP A 8 3.902 -3.842 -6.298 1.00 0.00 O ATOM 70 CB TRP A 8 2.324 -2.874 -8.350 1.00 0.00 C ATOM 71 CG TRP A 8 1.156 -3.737 -8.715 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.139 -3.421 -9.570 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.883 -5.058 -8.235 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.751 -4.466 -9.650 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.316 -5.482 -8.841 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.535 -5.925 -7.354 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.873 -6.734 -8.592 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.980 -7.166 -7.107 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.214 -7.561 -7.725 1.00 0.00 C ATOM 0 H TRP A 8 2.951 -5.260 -9.578 1.00 0.00 H new ATOM 0 HA TRP A 8 4.380 -2.739 -8.961 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.279 -2.645 -7.285 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.247 -1.926 -8.883 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.047 -2.487 -10.105 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.597 -4.482 -10.219 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.457 -5.630 -6.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.793 -7.041 -9.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.475 -7.843 -6.426 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.622 -8.538 -7.512 1.00 0.00 H new ATOM 90 N TYR A 9 5.049 -5.234 -7.643 1.00 0.00 N ATOM 91 CA TYR A 9 5.638 -5.987 -6.542 1.00 0.00 C ATOM 92 C TYR A 9 7.109 -5.623 -6.359 1.00 0.00 C ATOM 93 O TYR A 9 7.913 -5.753 -7.284 1.00 0.00 O ATOM 94 CB TYR A 9 5.501 -7.490 -6.793 1.00 0.00 C ATOM 95 CG TYR A 9 5.541 -8.321 -5.531 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.438 -8.394 -4.689 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.681 -9.032 -5.180 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.470 -9.151 -3.534 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.722 -9.793 -4.028 1.00 0.00 C ATOM 100 CZ TYR A 9 5.613 -9.849 -3.208 1.00 0.00 C ATOM 101 OH TYR A 9 5.651 -10.605 -2.058 1.00 0.00 O ATOM 0 H TYR A 9 5.325 -5.556 -8.570 1.00 0.00 H new ATOM 0 HA TYR A 9 5.101 -5.727 -5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.562 -7.679 -7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.303 -7.814 -7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.540 -7.850 -4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.551 -8.989 -5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.604 -9.196 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.616 -10.341 -3.770 1.00 0.00 H new ATOM 0 HH TYR A 9 4.772 -10.588 -1.626 1.00 0.00 H new ATOM 111 N HIS A 10 7.454 -5.168 -5.159 1.00 0.00 N ATOM 112 CA HIS A 10 8.828 -4.785 -4.853 1.00 0.00 C ATOM 113 C HIS A 10 9.542 -5.895 -4.085 1.00 0.00 C ATOM 114 O HIS A 10 10.614 -6.348 -4.484 1.00 0.00 O ATOM 115 CB HIS A 10 8.851 -3.492 -4.040 1.00 0.00 C ATOM 116 CG HIS A 10 8.684 -2.258 -4.872 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.730 -1.421 -5.197 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.583 -1.722 -5.449 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.280 -0.423 -5.935 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.980 -0.582 -6.104 1.00 0.00 N ATOM 0 H HIS A 10 6.802 -5.055 -4.383 1.00 0.00 H new ATOM 0 HA HIS A 10 9.352 -4.622 -5.795 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.057 -3.527 -3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.795 -3.430 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.579 -2.117 -5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.874 0.386 -6.333 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.370 0.040 -6.634 1.00 0.00 H new ATOM 129 N GLY A 11 8.940 -6.327 -2.981 1.00 0.00 N ATOM 130 CA GLY A 11 9.533 -7.379 -2.176 1.00 0.00 C ATOM 131 C GLY A 11 9.947 -6.892 -0.802 1.00 0.00 C ATOM 132 O GLY A 11 9.206 -6.163 -0.143 1.00 0.00 O ATOM 0 H GLY A 11 8.052 -5.967 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.820 -8.196 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.404 -7.781 -2.693 1.00 0.00 H new ATOM 136 N HIS A 12 11.137 -7.296 -0.367 1.00 0.00 N ATOM 137 CA HIS A 12 11.649 -6.897 0.940 1.00 0.00 C ATOM 138 C HIS A 12 11.662 -5.378 1.078 1.00 0.00 C ATOM 139 O HIS A 12 12.447 -4.693 0.422 1.00 0.00 O ATOM 140 CB HIS A 12 13.058 -7.452 1.150 1.00 0.00 C ATOM 141 CG HIS A 12 14.119 -6.683 0.424 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.300 -6.754 -0.941 1.00 0.00 N ATOM 143 CD2 HIS A 12 15.057 -5.821 0.881 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.304 -5.970 -1.292 1.00 0.00 C ATOM 145 NE2 HIS A 12 15.780 -5.393 -0.203 1.00 0.00 N ATOM 0 H HIS A 12 11.764 -7.899 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 12 10.987 -7.308 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.285 -7.451 2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.083 -8.491 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.208 -5.525 1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.672 -5.826 -2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.559 -4.736 -0.173 1.00 0.00 H new ATOM 154 N MET A 13 10.787 -4.859 1.933 1.00 0.00 N ATOM 155 CA MET A 13 10.700 -3.419 2.156 1.00 0.00 C ATOM 156 C MET A 13 9.970 -3.116 3.461 1.00 0.00 C ATOM 157 O MET A 13 8.858 -3.593 3.687 1.00 0.00 O ATOM 158 CB MET A 13 9.981 -2.744 0.987 1.00 0.00 C ATOM 159 CG MET A 13 10.205 -1.242 0.922 1.00 0.00 C ATOM 160 SD MET A 13 11.676 -0.799 -0.022 1.00 0.00 S ATOM 161 CE MET A 13 11.002 -0.717 -1.680 1.00 0.00 C ATOM 0 H MET A 13 10.129 -5.412 2.482 1.00 0.00 H new ATOM 0 HA MET A 13 11.713 -3.024 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.320 -3.194 0.054 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.912 -2.941 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.333 -0.768 0.472 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.295 -0.848 1.934 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.714 -0.219 -2.338 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.814 -1.726 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.067 -0.156 -1.666 1.00 0.00 H new ATOM 171 N SER A 14 10.603 -2.320 4.316 1.00 0.00 N ATOM 172 CA SER A 14 10.016 -1.956 5.600 1.00 0.00 C ATOM 173 C SER A 14 9.013 -0.817 5.436 1.00 0.00 C ATOM 174 O SER A 14 8.780 -0.336 4.328 1.00 0.00 O ATOM 175 CB SER A 14 11.110 -1.548 6.589 1.00 0.00 C ATOM 176 OG SER A 14 11.650 -0.281 6.258 1.00 0.00 O ATOM 0 H SER A 14 11.523 -1.915 4.143 1.00 0.00 H new ATOM 0 HA SER A 14 9.490 -2.827 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.700 -1.519 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.903 -2.296 6.588 1.00 0.00 H new ATOM 0 HG SER A 14 12.346 -0.042 6.906 1.00 0.00 H new ATOM 182 N GLY A 15 8.424 -0.391 6.549 1.00 0.00 N ATOM 183 CA GLY A 15 7.453 0.688 6.508 1.00 0.00 C ATOM 184 C GLY A 15 8.097 2.038 6.262 1.00 0.00 C ATOM 185 O GLY A 15 7.798 2.704 5.271 1.00 0.00 O ATOM 0 H GLY A 15 8.601 -0.773 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.725 0.488 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.906 0.716 7.450 1.00 0.00 H new ATOM 189 N GLY A 16 8.982 2.443 7.167 1.00 0.00 N ATOM 190 CA GLY A 16 9.654 3.722 7.026 1.00 0.00 C ATOM 191 C GLY A 16 10.176 3.951 5.621 1.00 0.00 C ATOM 192 O GLY A 16 10.255 5.090 5.161 1.00 0.00 O ATOM 0 H GLY A 16 9.246 1.909 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.963 4.523 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.484 3.773 7.731 1.00 0.00 H new ATOM 196 N GLN A 17 10.533 2.867 4.940 1.00 0.00 N ATOM 197 CA GLN A 17 11.052 2.957 3.580 1.00 0.00 C ATOM 198 C GLN A 17 9.941 3.302 2.595 1.00 0.00 C ATOM 199 O GLN A 17 9.955 4.365 1.975 1.00 0.00 O ATOM 200 CB GLN A 17 11.715 1.639 3.178 1.00 0.00 C ATOM 201 CG GLN A 17 12.858 1.810 2.189 1.00 0.00 C ATOM 202 CD GLN A 17 13.907 0.721 2.315 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.840 -0.119 3.213 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.882 0.732 1.415 1.00 0.00 N ATOM 0 H GLN A 17 10.473 1.917 5.307 1.00 0.00 H new ATOM 0 HA GLN A 17 11.796 3.753 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.091 1.143 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.963 0.982 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.459 1.809 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.327 2.781 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.897 1.448 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.616 0.025 1.450 1.00 0.00 H new ATOM 213 N ALA A 18 8.978 2.397 2.455 1.00 0.00 N ATOM 214 CA ALA A 18 7.858 2.607 1.546 1.00 0.00 C ATOM 215 C ALA A 18 7.385 4.055 1.582 1.00 0.00 C ATOM 216 O ALA A 18 7.153 4.669 0.541 1.00 0.00 O ATOM 217 CB ALA A 18 6.713 1.667 1.893 1.00 0.00 C ATOM 0 H ALA A 18 8.951 1.511 2.960 1.00 0.00 H new ATOM 0 HA ALA A 18 8.199 2.389 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.883 1.835 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.051 0.634 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.383 1.857 2.914 1.00 0.00 H new ATOM 223 N GLU A 19 7.244 4.596 2.789 1.00 0.00 N ATOM 224 CA GLU A 19 6.796 5.974 2.960 1.00 0.00 C ATOM 225 C GLU A 19 7.659 6.931 2.142 1.00 0.00 C ATOM 226 O GLU A 19 7.145 7.807 1.446 1.00 0.00 O ATOM 227 CB GLU A 19 6.838 6.367 4.438 1.00 0.00 C ATOM 228 CG GLU A 19 5.533 6.110 5.173 1.00 0.00 C ATOM 229 CD GLU A 19 5.523 6.704 6.569 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.281 7.666 6.810 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.757 6.205 7.420 1.00 0.00 O ATOM 0 H GLU A 19 7.433 4.102 3.661 1.00 0.00 H new ATOM 0 HA GLU A 19 5.769 6.043 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.638 5.813 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.088 7.425 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.708 6.529 4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.362 5.035 5.238 1.00 0.00 H new ATOM 238 N THR A 20 8.974 6.758 2.234 1.00 0.00 N ATOM 239 CA THR A 20 9.908 7.607 1.506 1.00 0.00 C ATOM 240 C THR A 20 9.703 7.485 0.000 1.00 0.00 C ATOM 241 O THR A 20 9.369 8.461 -0.672 1.00 0.00 O ATOM 242 CB THR A 20 11.369 7.253 1.843 1.00 0.00 C ATOM 243 OG1 THR A 20 11.584 7.356 3.256 1.00 0.00 O ATOM 244 CG2 THR A 20 12.332 8.174 1.110 1.00 0.00 C ATOM 0 H THR A 20 9.416 6.038 2.805 1.00 0.00 H new ATOM 0 HA THR A 20 9.709 8.633 1.816 1.00 0.00 H new ATOM 0 HB THR A 20 11.555 6.229 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.144 6.607 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.357 7.905 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.186 8.072 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.144 9.206 1.405 1.00 0.00 H new ATOM 252 N LEU A 21 9.904 6.281 -0.525 1.00 0.00 N ATOM 253 CA LEU A 21 9.741 6.032 -1.952 1.00 0.00 C ATOM 254 C LEU A 21 8.443 6.645 -2.467 1.00 0.00 C ATOM 255 O LEU A 21 8.438 7.371 -3.462 1.00 0.00 O ATOM 256 CB LEU A 21 9.753 4.528 -2.231 1.00 0.00 C ATOM 257 CG LEU A 21 11.004 3.771 -1.785 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.855 3.293 -0.349 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.280 2.599 -2.714 1.00 0.00 C ATOM 0 H LEU A 21 10.180 5.462 0.017 1.00 0.00 H new ATOM 0 HA LEU A 21 10.575 6.500 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.888 4.081 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.624 4.377 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 21 11.853 4.453 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.755 2.756 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.709 4.151 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.994 2.628 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.174 2.073 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.431 1.916 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.433 2.967 -3.728 1.00 0.00 H new ATOM 271 N LEU A 22 7.343 6.352 -1.782 1.00 0.00 N ATOM 272 CA LEU A 22 6.038 6.876 -2.168 1.00 0.00 C ATOM 273 C LEU A 22 6.038 8.401 -2.151 1.00 0.00 C ATOM 274 O LEU A 22 5.965 9.043 -3.199 1.00 0.00 O ATOM 275 CB LEU A 22 4.954 6.344 -1.230 1.00 0.00 C ATOM 276 CG LEU A 22 4.455 4.928 -1.516 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.590 4.425 -0.370 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.682 4.889 -2.826 1.00 0.00 C ATOM 0 H LEU A 22 7.329 5.754 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 22 5.826 6.542 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.338 6.373 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.102 7.023 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 22 5.320 4.271 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.244 3.415 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.175 4.415 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.731 5.084 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.334 3.873 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.825 5.560 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.332 5.206 -3.642 1.00 0.00 H new ATOM 290 N GLN A 23 6.122 8.975 -0.955 1.00 0.00 N ATOM 291 CA GLN A 23 6.134 10.425 -0.802 1.00 0.00 C ATOM 292 C GLN A 23 7.009 11.077 -1.867 1.00 0.00 C ATOM 293 O GLN A 23 6.629 12.083 -2.466 1.00 0.00 O ATOM 294 CB GLN A 23 6.633 10.808 0.591 1.00 0.00 C ATOM 295 CG GLN A 23 5.611 10.571 1.690 1.00 0.00 C ATOM 296 CD GLN A 23 6.133 10.942 3.064 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.343 11.010 3.283 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.223 11.185 4.000 1.00 0.00 N ATOM 0 H GLN A 23 6.183 8.458 -0.078 1.00 0.00 H new ATOM 0 HA GLN A 23 5.113 10.787 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.534 10.237 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.915 11.861 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.714 11.152 1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.318 9.521 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.230 11.117 3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.517 11.439 4.943 1.00 0.00 H new ATOM 307 N ALA A 24 8.183 10.499 -2.097 1.00 0.00 N ATOM 308 CA ALA A 24 9.112 11.023 -3.090 1.00 0.00 C ATOM 309 C ALA A 24 8.446 11.141 -4.456 1.00 0.00 C ATOM 310 O ALA A 24 8.659 12.113 -5.181 1.00 0.00 O ATOM 311 CB ALA A 24 10.347 10.139 -3.177 1.00 0.00 C ATOM 0 H ALA A 24 8.513 9.667 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 24 9.416 12.021 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.032 10.543 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.843 10.110 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.052 9.130 -3.464 1.00 0.00 H new ATOM 317 N LYS A 25 7.639 10.144 -4.804 1.00 0.00 N ATOM 318 CA LYS A 25 6.940 10.135 -6.083 1.00 0.00 C ATOM 319 C LYS A 25 6.033 11.355 -6.217 1.00 0.00 C ATOM 320 O LYS A 25 5.882 11.912 -7.303 1.00 0.00 O ATOM 321 CB LYS A 25 6.115 8.855 -6.228 1.00 0.00 C ATOM 322 CG LYS A 25 5.237 8.834 -7.467 1.00 0.00 C ATOM 323 CD LYS A 25 5.992 8.311 -8.678 1.00 0.00 C ATOM 324 CE LYS A 25 6.652 9.440 -9.454 1.00 0.00 C ATOM 325 NZ LYS A 25 7.779 8.952 -10.295 1.00 0.00 N ATOM 0 H LYS A 25 7.453 9.331 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 25 7.687 10.171 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.790 7.999 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.486 8.736 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.363 8.209 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.871 9.840 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.751 7.598 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.306 7.772 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.911 9.927 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.019 10.193 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.202 9.752 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.499 8.510 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.425 8.252 -10.978 1.00 0.00 H new ATOM 339 N GLY A 26 5.434 11.765 -5.104 1.00 0.00 N ATOM 340 CA GLY A 26 4.551 12.917 -5.119 1.00 0.00 C ATOM 341 C GLY A 26 3.331 12.702 -5.994 1.00 0.00 C ATOM 342 O GLY A 26 2.794 13.651 -6.563 1.00 0.00 O ATOM 0 H GLY A 26 5.544 11.321 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.230 13.138 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.101 13.788 -5.476 1.00 0.00 H new ATOM 346 N GLU A 27 2.896 11.451 -6.103 1.00 0.00 N ATOM 347 CA GLU A 27 1.735 11.114 -6.918 1.00 0.00 C ATOM 348 C GLU A 27 0.621 10.525 -6.059 1.00 0.00 C ATOM 349 O GLU A 27 0.804 9.533 -5.353 1.00 0.00 O ATOM 350 CB GLU A 27 2.125 10.124 -8.018 1.00 0.00 C ATOM 351 CG GLU A 27 2.712 10.787 -9.253 1.00 0.00 C ATOM 352 CD GLU A 27 2.495 9.970 -10.511 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.424 8.727 -10.407 1.00 0.00 O ATOM 354 OE2 GLU A 27 2.396 10.572 -11.600 1.00 0.00 O ATOM 0 H GLU A 27 3.330 10.654 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 27 1.368 12.031 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.850 9.415 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.245 9.550 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.262 11.771 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.781 10.942 -9.105 1.00 0.00 H new ATOM 361 N PRO A 28 -0.565 11.149 -6.118 1.00 0.00 N ATOM 362 CA PRO A 28 -1.734 10.705 -5.353 1.00 0.00 C ATOM 363 C PRO A 28 -2.294 9.383 -5.867 1.00 0.00 C ATOM 364 O PRO A 28 -2.303 9.128 -7.071 1.00 0.00 O ATOM 365 CB PRO A 28 -2.746 11.833 -5.564 1.00 0.00 C ATOM 366 CG PRO A 28 -2.354 12.457 -6.858 1.00 0.00 C ATOM 367 CD PRO A 28 -0.856 12.338 -6.938 1.00 0.00 C ATOM 0 HA PRO A 28 -1.491 10.523 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.765 11.448 -5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.709 12.556 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.831 11.950 -7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.665 13.501 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.517 12.210 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.361 13.227 -6.547 1.00 0.00 H new ATOM 375 N TRP A 29 -2.761 8.547 -4.947 1.00 0.00 N ATOM 376 CA TRP A 29 -3.323 7.250 -5.307 1.00 0.00 C ATOM 377 C TRP A 29 -2.246 6.323 -5.857 1.00 0.00 C ATOM 378 O TRP A 29 -2.503 5.516 -6.751 1.00 0.00 O ATOM 379 CB TRP A 29 -4.438 7.425 -6.339 1.00 0.00 C ATOM 380 CG TRP A 29 -5.324 8.603 -6.064 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.745 9.539 -6.965 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.892 8.971 -4.803 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.543 10.466 -6.339 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.649 10.141 -5.013 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.838 8.426 -3.518 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.344 10.773 -3.984 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.528 9.054 -2.497 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.273 10.217 -2.737 1.00 0.00 C ATOM 0 H TRP A 29 -2.762 8.744 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.738 6.799 -4.406 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.993 7.537 -7.328 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.046 6.520 -6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.489 9.549 -8.014 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.985 11.267 -6.789 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.267 7.530 -3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.918 11.670 -4.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.492 8.642 -1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.802 10.684 -1.919 1.00 0.00 H new ATOM 399 N THR A 30 -1.036 6.442 -5.317 1.00 0.00 N ATOM 400 CA THR A 30 0.081 5.615 -5.755 1.00 0.00 C ATOM 401 C THR A 30 0.273 4.417 -4.831 1.00 0.00 C ATOM 402 O THR A 30 0.904 4.526 -3.780 1.00 0.00 O ATOM 403 CB THR A 30 1.391 6.423 -5.808 1.00 0.00 C ATOM 404 OG1 THR A 30 1.252 7.522 -6.716 1.00 0.00 O ATOM 405 CG2 THR A 30 2.553 5.542 -6.244 1.00 0.00 C ATOM 0 H THR A 30 -0.806 7.103 -4.576 1.00 0.00 H new ATOM 0 HA THR A 30 -0.160 5.262 -6.758 1.00 0.00 H new ATOM 0 HB THR A 30 1.599 6.803 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.613 8.169 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.467 6.134 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.674 4.723 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.350 5.137 -7.235 1.00 0.00 H new ATOM 413 N PHE A 31 -0.274 3.274 -5.232 1.00 0.00 N ATOM 414 CA PHE A 31 -0.163 2.055 -4.440 1.00 0.00 C ATOM 415 C PHE A 31 1.102 1.282 -4.804 1.00 0.00 C ATOM 416 O PHE A 31 1.732 1.547 -5.829 1.00 0.00 O ATOM 417 CB PHE A 31 -1.393 1.170 -4.650 1.00 0.00 C ATOM 418 CG PHE A 31 -1.424 0.497 -5.993 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.866 1.180 -7.114 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.012 -0.819 -6.133 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.896 0.566 -8.351 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.040 -1.439 -7.369 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.484 -0.747 -8.479 1.00 0.00 C ATOM 0 H PHE A 31 -0.798 3.167 -6.100 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.104 2.339 -3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.421 0.409 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.291 1.777 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.191 2.206 -7.020 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.666 -1.366 -5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.241 1.111 -9.217 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.715 -2.464 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.509 -1.231 -9.444 1.00 0.00 H new ATOM 433 N LEU A 32 1.469 0.326 -3.958 1.00 0.00 N ATOM 434 CA LEU A 32 2.659 -0.486 -4.190 1.00 0.00 C ATOM 435 C LEU A 32 2.678 -1.700 -3.267 1.00 0.00 C ATOM 436 O LEU A 32 2.511 -1.573 -2.053 1.00 0.00 O ATOM 437 CB LEU A 32 3.921 0.352 -3.975 1.00 0.00 C ATOM 438 CG LEU A 32 4.431 0.441 -2.537 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.373 -0.713 -2.232 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.124 1.775 -2.298 1.00 0.00 C ATOM 0 H LEU A 32 0.960 0.094 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 32 2.634 -0.837 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.716 -0.060 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.727 1.363 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 32 3.576 0.373 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.726 -0.633 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.845 -1.658 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.224 -0.677 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.481 1.821 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.969 1.873 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.419 2.588 -2.474 1.00 0.00 H new ATOM 452 N VAL A 33 2.884 -2.876 -3.850 1.00 0.00 N ATOM 453 CA VAL A 33 2.928 -4.114 -3.079 1.00 0.00 C ATOM 454 C VAL A 33 4.355 -4.447 -2.656 1.00 0.00 C ATOM 455 O VAL A 33 5.280 -4.405 -3.467 1.00 0.00 O ATOM 456 CB VAL A 33 2.354 -5.296 -3.884 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.260 -6.539 -3.011 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.994 -4.936 -4.462 1.00 0.00 C ATOM 0 H VAL A 33 3.023 -2.998 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 33 2.316 -3.957 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 33 3.029 -5.512 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.853 -7.364 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.253 -6.806 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.607 -6.339 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.603 -5.782 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.307 -4.693 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.096 -4.075 -5.122 1.00 0.00 H new ATOM 468 N ARG A 34 4.524 -4.778 -1.380 1.00 0.00 N ATOM 469 CA ARG A 34 5.839 -5.117 -0.848 1.00 0.00 C ATOM 470 C ARG A 34 5.724 -6.165 0.256 1.00 0.00 C ATOM 471 O ARG A 34 4.950 -6.003 1.199 1.00 0.00 O ATOM 472 CB ARG A 34 6.533 -3.866 -0.308 1.00 0.00 C ATOM 473 CG ARG A 34 5.693 -3.088 0.692 1.00 0.00 C ATOM 474 CD ARG A 34 6.533 -2.076 1.456 1.00 0.00 C ATOM 475 NE ARG A 34 5.711 -1.195 2.282 1.00 0.00 N ATOM 476 CZ ARG A 34 5.294 -1.512 3.502 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.618 -2.682 4.036 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.549 -0.657 4.193 1.00 0.00 N ATOM 0 H ARG A 34 3.768 -4.819 -0.696 1.00 0.00 H new ATOM 0 HA ARG A 34 6.436 -5.532 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.470 -4.157 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.787 -3.213 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.887 -2.573 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.227 -3.780 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.249 -2.602 2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.110 -1.478 0.751 1.00 0.00 H new ATOM 0 HE ARG A 34 5.443 -0.288 1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.190 -3.342 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.296 -2.921 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.297 0.244 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.229 -0.901 5.130 1.00 0.00 H new ATOM 492 N GLU A 35 6.499 -7.238 0.130 1.00 0.00 N ATOM 493 CA GLU A 35 6.483 -8.311 1.117 1.00 0.00 C ATOM 494 C GLU A 35 6.476 -7.747 2.535 1.00 0.00 C ATOM 495 O GLU A 35 6.989 -6.655 2.782 1.00 0.00 O ATOM 496 CB GLU A 35 7.693 -9.227 0.926 1.00 0.00 C ATOM 497 CG GLU A 35 7.423 -10.677 1.294 1.00 0.00 C ATOM 498 CD GLU A 35 8.652 -11.379 1.838 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.977 -11.170 3.025 1.00 0.00 O ATOM 500 OE2 GLU A 35 9.288 -12.138 1.077 1.00 0.00 O ATOM 0 H GLU A 35 7.145 -7.387 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 35 5.571 -8.890 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.014 -9.179 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.519 -8.855 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.627 -10.717 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.064 -11.211 0.414 1.00 0.00 H new ATOM 507 N SER A 36 5.891 -8.498 3.461 1.00 0.00 N ATOM 508 CA SER A 36 5.814 -8.073 4.854 1.00 0.00 C ATOM 509 C SER A 36 7.089 -8.439 5.606 1.00 0.00 C ATOM 510 O SER A 36 7.828 -9.337 5.199 1.00 0.00 O ATOM 511 CB SER A 36 4.603 -8.712 5.538 1.00 0.00 C ATOM 512 OG SER A 36 4.193 -7.952 6.662 1.00 0.00 O ATOM 0 H SER A 36 5.463 -9.404 3.272 1.00 0.00 H new ATOM 0 HA SER A 36 5.702 -6.989 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.780 -8.790 4.828 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.851 -9.726 5.851 1.00 0.00 H new ATOM 0 HG SER A 36 3.417 -8.380 7.081 1.00 0.00 H new ATOM 518 N LEU A 37 7.341 -7.739 6.706 1.00 0.00 N ATOM 519 CA LEU A 37 8.528 -7.989 7.518 1.00 0.00 C ATOM 520 C LEU A 37 8.168 -8.760 8.784 1.00 0.00 C ATOM 521 O LEU A 37 8.566 -9.912 8.956 1.00 0.00 O ATOM 522 CB LEU A 37 9.206 -6.669 7.887 1.00 0.00 C ATOM 523 CG LEU A 37 10.289 -6.179 6.925 1.00 0.00 C ATOM 524 CD1 LEU A 37 11.609 -6.880 7.207 1.00 0.00 C ATOM 525 CD2 LEU A 37 9.862 -6.403 5.482 1.00 0.00 C ATOM 0 H LEU A 37 6.740 -6.994 7.057 1.00 0.00 H new ATOM 0 HA LEU A 37 9.219 -8.593 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.439 -5.898 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.649 -6.775 8.877 1.00 0.00 H new ATOM 0 HG LEU A 37 10.428 -5.109 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.368 -6.519 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.922 -6.669 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.484 -7.955 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.645 -6.048 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.694 -7.467 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.941 -5.855 5.286 1.00 0.00 H new ATOM 537 N SER A 38 7.412 -8.117 9.668 1.00 0.00 N ATOM 538 CA SER A 38 7.000 -8.742 10.920 1.00 0.00 C ATOM 539 C SER A 38 6.554 -10.182 10.687 1.00 0.00 C ATOM 540 O SER A 38 7.272 -11.125 11.018 1.00 0.00 O ATOM 541 CB SER A 38 5.866 -7.943 11.564 1.00 0.00 C ATOM 542 OG SER A 38 5.286 -8.658 12.641 1.00 0.00 O ATOM 0 H SER A 38 7.072 -7.164 9.541 1.00 0.00 H new ATOM 0 HA SER A 38 7.857 -8.750 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.248 -6.987 11.922 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.103 -7.722 10.817 1.00 0.00 H new ATOM 0 HG SER A 38 4.565 -8.125 13.037 1.00 0.00 H new ATOM 548 N GLN A 39 5.364 -10.342 10.116 1.00 0.00 N ATOM 549 CA GLN A 39 4.822 -11.667 9.840 1.00 0.00 C ATOM 550 C GLN A 39 5.374 -12.218 8.529 1.00 0.00 C ATOM 551 O GLN A 39 5.374 -11.549 7.496 1.00 0.00 O ATOM 552 CB GLN A 39 3.294 -11.613 9.781 1.00 0.00 C ATOM 553 CG GLN A 39 2.635 -12.982 9.837 1.00 0.00 C ATOM 554 CD GLN A 39 2.392 -13.455 11.256 1.00 0.00 C ATOM 555 OE1 GLN A 39 2.849 -14.528 11.653 1.00 0.00 O ATOM 556 NE2 GLN A 39 1.670 -12.655 12.032 1.00 0.00 N ATOM 0 H GLN A 39 4.758 -9.571 9.836 1.00 0.00 H new ATOM 0 HA GLN A 39 5.124 -12.332 10.649 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.928 -11.008 10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.992 -11.110 8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.686 -12.946 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.265 -13.706 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.311 -11.775 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.475 -12.921 12.997 1.00 0.00 H new ATOM 565 N PRO A 40 5.858 -13.469 8.570 1.00 0.00 N ATOM 566 CA PRO A 40 6.422 -14.138 7.395 1.00 0.00 C ATOM 567 C PRO A 40 5.360 -14.480 6.356 1.00 0.00 C ATOM 568 O PRO A 40 4.225 -14.804 6.699 1.00 0.00 O ATOM 569 CB PRO A 40 7.034 -15.416 7.975 1.00 0.00 C ATOM 570 CG PRO A 40 6.259 -15.677 9.220 1.00 0.00 C ATOM 571 CD PRO A 40 5.891 -14.326 9.768 1.00 0.00 C ATOM 0 HA PRO A 40 7.138 -13.505 6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.951 -16.248 7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.095 -15.285 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.368 -16.268 9.009 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.853 -16.241 9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.926 -14.347 10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.624 -13.974 10.494 1.00 0.00 H new ATOM 579 N GLY A 41 5.738 -14.404 5.084 1.00 0.00 N ATOM 580 CA GLY A 41 4.804 -14.707 4.014 1.00 0.00 C ATOM 581 C GLY A 41 3.799 -13.596 3.788 1.00 0.00 C ATOM 582 O GLY A 41 3.556 -13.192 2.650 1.00 0.00 O ATOM 0 H GLY A 41 6.673 -14.138 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.358 -14.884 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.274 -15.630 4.250 1.00 0.00 H new ATOM 586 N ASP A 42 3.212 -13.102 4.872 1.00 0.00 N ATOM 587 CA ASP A 42 2.227 -12.030 4.787 1.00 0.00 C ATOM 588 C ASP A 42 2.683 -10.949 3.811 1.00 0.00 C ATOM 589 O ASP A 42 3.842 -10.918 3.400 1.00 0.00 O ATOM 590 CB ASP A 42 1.987 -11.417 6.168 1.00 0.00 C ATOM 591 CG ASP A 42 0.821 -10.449 6.177 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.337 -10.913 6.108 1.00 0.00 O ATOM 593 OD2 ASP A 42 1.064 -9.228 6.255 1.00 0.00 O ATOM 0 H ASP A 42 3.401 -13.427 5.820 1.00 0.00 H new ATOM 0 HA ASP A 42 1.294 -12.457 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.800 -12.213 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.889 -10.898 6.494 1.00 0.00 H new ATOM 598 N PHE A 43 1.761 -10.066 3.441 1.00 0.00 N ATOM 599 CA PHE A 43 2.066 -8.985 2.512 1.00 0.00 C ATOM 600 C PHE A 43 1.569 -7.647 3.050 1.00 0.00 C ATOM 601 O PHE A 43 0.879 -7.593 4.069 1.00 0.00 O ATOM 602 CB PHE A 43 1.435 -9.265 1.146 1.00 0.00 C ATOM 603 CG PHE A 43 1.861 -10.575 0.546 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.479 -11.774 1.126 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.643 -10.607 -0.597 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.868 -12.981 0.577 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.035 -11.811 -1.151 1.00 0.00 C ATOM 608 CZ PHE A 43 2.648 -12.999 -0.563 1.00 0.00 C ATOM 0 H PHE A 43 0.796 -10.078 3.771 1.00 0.00 H new ATOM 0 HA PHE A 43 3.149 -8.931 2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.350 -9.257 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.697 -8.458 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.870 -11.765 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.950 -9.681 -1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.563 -13.909 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.644 -11.823 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.955 -13.941 -0.994 1.00 0.00 H new ATOM 618 N VAL A 44 1.923 -6.569 2.359 1.00 0.00 N ATOM 619 CA VAL A 44 1.512 -5.230 2.766 1.00 0.00 C ATOM 620 C VAL A 44 1.086 -4.397 1.562 1.00 0.00 C ATOM 621 O VAL A 44 1.569 -4.601 0.448 1.00 0.00 O ATOM 622 CB VAL A 44 2.645 -4.497 3.508 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.161 -3.151 4.025 1.00 0.00 C ATOM 624 CG2 VAL A 44 3.178 -5.354 4.646 1.00 0.00 C ATOM 0 H VAL A 44 2.494 -6.596 1.514 1.00 0.00 H new ATOM 0 HA VAL A 44 0.664 -5.350 3.440 1.00 0.00 H new ATOM 0 HB VAL A 44 3.460 -4.318 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.975 -2.647 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.832 -2.536 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.329 -3.303 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.978 -4.821 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.373 -5.566 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.565 -6.291 4.245 1.00 0.00 H new ATOM 634 N LEU A 45 0.177 -3.456 1.794 1.00 0.00 N ATOM 635 CA LEU A 45 -0.316 -2.589 0.729 1.00 0.00 C ATOM 636 C LEU A 45 -0.165 -1.120 1.109 1.00 0.00 C ATOM 637 O LEU A 45 -0.952 -0.586 1.890 1.00 0.00 O ATOM 638 CB LEU A 45 -1.783 -2.902 0.428 1.00 0.00 C ATOM 639 CG LEU A 45 -2.470 -1.986 -0.585 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.808 -2.108 -1.949 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.953 -2.314 -0.681 1.00 0.00 C ATOM 0 H LEU A 45 -0.234 -3.274 2.710 1.00 0.00 H new ATOM 0 HA LEU A 45 0.280 -2.777 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.848 -3.927 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.342 -2.861 1.363 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.367 -0.956 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.310 -1.449 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.758 -1.824 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.880 -3.138 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.426 -1.652 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.077 -3.349 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.420 -2.176 0.294 1.00 0.00 H new ATOM 653 N SER A 46 0.850 -0.470 0.549 1.00 0.00 N ATOM 654 CA SER A 46 1.106 0.938 0.830 1.00 0.00 C ATOM 655 C SER A 46 0.550 1.823 -0.282 1.00 0.00 C ATOM 656 O SER A 46 0.720 1.533 -1.466 1.00 0.00 O ATOM 657 CB SER A 46 2.608 1.183 0.991 1.00 0.00 C ATOM 658 OG SER A 46 3.205 0.179 1.792 1.00 0.00 O ATOM 0 H SER A 46 1.509 -0.896 -0.102 1.00 0.00 H new ATOM 0 HA SER A 46 0.602 1.195 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.084 1.201 0.011 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.774 2.160 1.444 1.00 0.00 H new ATOM 0 HG SER A 46 3.360 -0.623 1.250 1.00 0.00 H new ATOM 664 N VAL A 47 -0.116 2.905 0.110 1.00 0.00 N ATOM 665 CA VAL A 47 -0.697 3.834 -0.852 1.00 0.00 C ATOM 666 C VAL A 47 -0.490 5.280 -0.413 1.00 0.00 C ATOM 667 O VAL A 47 -0.550 5.593 0.776 1.00 0.00 O ATOM 668 CB VAL A 47 -2.204 3.577 -1.041 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.812 4.622 -1.965 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.442 2.175 -1.580 1.00 0.00 C ATOM 0 H VAL A 47 -0.266 3.159 1.086 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.186 3.668 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.693 3.656 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.877 4.424 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.674 5.613 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.321 4.578 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.512 2.011 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.941 2.065 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.044 1.443 -0.878 1.00 0.00 H new ATOM 680 N LEU A 48 -0.247 6.157 -1.381 1.00 0.00 N ATOM 681 CA LEU A 48 -0.031 7.570 -1.095 1.00 0.00 C ATOM 682 C LEU A 48 -1.308 8.373 -1.326 1.00 0.00 C ATOM 683 O LEU A 48 -1.616 8.758 -2.453 1.00 0.00 O ATOM 684 CB LEU A 48 1.096 8.122 -1.970 1.00 0.00 C ATOM 685 CG LEU A 48 1.687 9.464 -1.537 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.375 9.333 -0.186 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.662 9.981 -2.584 1.00 0.00 C ATOM 0 H LEU A 48 -0.195 5.914 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 48 0.252 7.664 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.900 7.386 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.721 8.225 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 48 0.873 10.183 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.790 10.298 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.651 9.008 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.178 8.599 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.072 10.937 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.472 9.263 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.141 10.114 -3.532 1.00 0.00 H new ATOM 699 N SER A 49 -2.045 8.625 -0.248 1.00 0.00 N ATOM 700 CA SER A 49 -3.289 9.381 -0.333 1.00 0.00 C ATOM 701 C SER A 49 -3.061 10.727 -1.012 1.00 0.00 C ATOM 702 O SER A 49 -1.944 11.246 -1.028 1.00 0.00 O ATOM 703 CB SER A 49 -3.876 9.594 1.064 1.00 0.00 C ATOM 704 OG SER A 49 -2.899 10.103 1.955 1.00 0.00 O ATOM 0 H SER A 49 -1.802 8.317 0.693 1.00 0.00 H new ATOM 0 HA SER A 49 -3.995 8.807 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.717 10.286 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.265 8.650 1.446 1.00 0.00 H new ATOM 0 HG SER A 49 -2.013 9.783 1.686 1.00 0.00 H new ATOM 710 N ASP A 50 -4.127 11.288 -1.572 1.00 0.00 N ATOM 711 CA ASP A 50 -4.046 12.575 -2.254 1.00 0.00 C ATOM 712 C ASP A 50 -4.088 13.724 -1.251 1.00 0.00 C ATOM 713 O ASP A 50 -4.057 14.894 -1.632 1.00 0.00 O ATOM 714 CB ASP A 50 -5.189 12.717 -3.260 1.00 0.00 C ATOM 715 CG ASP A 50 -5.193 14.071 -3.943 1.00 0.00 C ATOM 716 OD1 ASP A 50 -5.771 15.021 -3.375 1.00 0.00 O ATOM 717 OD2 ASP A 50 -4.618 14.179 -5.046 1.00 0.00 O ATOM 0 H ASP A 50 -5.058 10.872 -1.567 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.097 12.617 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.106 11.933 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.140 12.568 -2.749 1.00 0.00 H new ATOM 722 N GLN A 51 -4.162 13.380 0.032 1.00 0.00 N ATOM 723 CA GLN A 51 -4.212 14.385 1.089 1.00 0.00 C ATOM 724 C GLN A 51 -2.816 14.672 1.631 1.00 0.00 C ATOM 725 O GLN A 51 -2.162 13.810 2.220 1.00 0.00 O ATOM 726 CB GLN A 51 -5.126 13.917 2.222 1.00 0.00 C ATOM 727 CG GLN A 51 -6.593 13.851 1.831 1.00 0.00 C ATOM 728 CD GLN A 51 -7.438 13.121 2.856 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.736 13.654 3.926 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.830 11.893 2.536 1.00 0.00 N ATOM 0 H GLN A 51 -4.189 12.416 0.364 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.614 15.305 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.802 12.931 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.015 14.592 3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.977 14.863 1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.686 13.351 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.561 11.489 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.400 11.354 3.187 1.00 0.00 H new ATOM 739 N PRO A 52 -2.346 15.912 1.430 1.00 0.00 N ATOM 740 CA PRO A 52 -1.022 16.342 1.892 1.00 0.00 C ATOM 741 C PRO A 52 -0.947 16.454 3.411 1.00 0.00 C ATOM 742 O PRO A 52 -1.952 16.707 4.076 1.00 0.00 O ATOM 743 CB PRO A 52 -0.850 17.718 1.245 1.00 0.00 C ATOM 744 CG PRO A 52 -2.239 18.210 1.025 1.00 0.00 C ATOM 745 CD PRO A 52 -3.069 16.990 0.735 1.00 0.00 C ATOM 0 HA PRO A 52 -0.244 15.629 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.289 18.392 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.301 17.648 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.611 18.735 1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.277 18.914 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.087 17.098 1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.142 16.799 -0.336 1.00 0.00 H new ATOM 753 N LYS A 53 0.250 16.265 3.955 1.00 0.00 N ATOM 754 CA LYS A 53 0.458 16.347 5.396 1.00 0.00 C ATOM 755 C LYS A 53 0.038 17.714 5.929 1.00 0.00 C ATOM 756 O LYS A 53 -0.586 17.813 6.985 1.00 0.00 O ATOM 757 CB LYS A 53 1.927 16.085 5.735 1.00 0.00 C ATOM 758 CG LYS A 53 2.294 14.611 5.753 1.00 0.00 C ATOM 759 CD LYS A 53 3.570 14.363 6.539 1.00 0.00 C ATOM 760 CE LYS A 53 3.279 14.101 8.008 1.00 0.00 C ATOM 761 NZ LYS A 53 4.520 13.804 8.776 1.00 0.00 N ATOM 0 H LYS A 53 1.092 16.054 3.419 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.160 15.585 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.556 16.598 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.149 16.518 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.478 14.037 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.420 14.254 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.100 13.510 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.229 15.226 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.784 14.970 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.588 13.263 8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.278 13.631 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.980 12.959 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.170 14.614 8.713 1.00 0.00 H new ATOM 775 N ALA A 54 0.383 18.763 5.191 1.00 0.00 N ATOM 776 CA ALA A 54 0.039 20.123 5.588 1.00 0.00 C ATOM 777 C ALA A 54 -0.713 20.846 4.476 1.00 0.00 C ATOM 778 O ALA A 54 -1.842 21.295 4.667 1.00 0.00 O ATOM 779 CB ALA A 54 1.293 20.895 5.970 1.00 0.00 C ATOM 0 H ALA A 54 0.901 18.698 4.315 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.617 20.067 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.021 21.909 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.788 20.396 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.970 20.934 5.117 1.00 0.00 H new ATOM 785 N GLY A 55 -0.078 20.955 3.313 1.00 0.00 N ATOM 786 CA GLY A 55 -0.701 21.627 2.187 1.00 0.00 C ATOM 787 C GLY A 55 0.056 21.412 0.892 1.00 0.00 C ATOM 788 O GLY A 55 0.683 20.374 0.679 1.00 0.00 O ATOM 0 H GLY A 55 0.857 20.590 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.722 21.265 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.763 22.695 2.395 1.00 0.00 H new ATOM 792 N PRO A 56 0.004 22.410 -0.002 1.00 0.00 N ATOM 793 CA PRO A 56 0.684 22.349 -1.298 1.00 0.00 C ATOM 794 C PRO A 56 2.201 22.421 -1.162 1.00 0.00 C ATOM 795 O PRO A 56 2.791 23.497 -1.242 1.00 0.00 O ATOM 796 CB PRO A 56 0.155 23.582 -2.035 1.00 0.00 C ATOM 797 CG PRO A 56 -0.239 24.529 -0.955 1.00 0.00 C ATOM 798 CD PRO A 56 -0.724 23.678 0.186 1.00 0.00 C ATOM 0 HA PRO A 56 0.490 21.410 -1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.919 24.015 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.695 23.330 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.606 25.146 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.022 25.207 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.498 24.132 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.803 23.531 0.148 1.00 0.00 H new ATOM 806 N GLY A 57 2.828 21.266 -0.955 1.00 0.00 N ATOM 807 CA GLY A 57 4.270 21.221 -0.810 1.00 0.00 C ATOM 808 C GLY A 57 4.729 20.082 0.079 1.00 0.00 C ATOM 809 O GLY A 57 5.846 19.585 -0.063 1.00 0.00 O ATOM 0 H GLY A 57 2.362 20.361 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.728 21.117 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.620 22.166 -0.394 1.00 0.00 H new ATOM 813 N SER A 58 3.864 19.668 1.000 1.00 0.00 N ATOM 814 CA SER A 58 4.189 18.584 1.919 1.00 0.00 C ATOM 815 C SER A 58 4.027 17.227 1.240 1.00 0.00 C ATOM 816 O SER A 58 3.248 17.064 0.300 1.00 0.00 O ATOM 817 CB SER A 58 3.296 18.655 3.160 1.00 0.00 C ATOM 818 OG SER A 58 1.935 18.445 2.821 1.00 0.00 O ATOM 0 H SER A 58 2.934 20.067 1.129 1.00 0.00 H new ATOM 0 HA SER A 58 5.230 18.697 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.614 17.905 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.409 19.628 3.638 1.00 0.00 H new ATOM 0 HG SER A 58 1.660 19.104 2.150 1.00 0.00 H new ATOM 824 N PRO A 59 4.782 16.230 1.724 1.00 0.00 N ATOM 825 CA PRO A 59 4.741 14.870 1.179 1.00 0.00 C ATOM 826 C PRO A 59 3.428 14.160 1.491 1.00 0.00 C ATOM 827 O PRO A 59 3.118 13.886 2.651 1.00 0.00 O ATOM 828 CB PRO A 59 5.908 14.171 1.882 1.00 0.00 C ATOM 829 CG PRO A 59 6.091 14.927 3.154 1.00 0.00 C ATOM 830 CD PRO A 59 5.732 16.353 2.842 1.00 0.00 C ATOM 0 HA PRO A 59 4.815 14.864 0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.684 13.122 2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.811 14.198 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.452 14.527 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.119 14.852 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.280 16.850 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.609 16.936 2.561 1.00 0.00 H new ATOM 838 N LEU A 60 2.660 13.863 0.448 1.00 0.00 N ATOM 839 CA LEU A 60 1.380 13.183 0.612 1.00 0.00 C ATOM 840 C LEU A 60 1.449 12.151 1.732 1.00 0.00 C ATOM 841 O LEU A 60 2.502 11.565 1.986 1.00 0.00 O ATOM 842 CB LEU A 60 0.969 12.505 -0.697 1.00 0.00 C ATOM 843 CG LEU A 60 0.484 13.434 -1.811 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.173 12.639 -3.070 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.739 14.217 -1.356 1.00 0.00 C ATOM 0 H LEU A 60 2.901 14.082 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 60 0.632 13.930 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.820 11.936 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.177 11.788 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 60 1.280 14.143 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.171 13.316 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.072 12.123 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.606 11.907 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.071 14.873 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.540 13.524 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.483 14.816 -0.482 1.00 0.00 H new ATOM 857 N ARG A 61 0.320 11.932 2.399 1.00 0.00 N ATOM 858 CA ARG A 61 0.253 10.970 3.492 1.00 0.00 C ATOM 859 C ARG A 61 0.284 9.539 2.960 1.00 0.00 C ATOM 860 O ARG A 61 -0.223 9.260 1.873 1.00 0.00 O ATOM 861 CB ARG A 61 -1.015 11.191 4.318 1.00 0.00 C ATOM 862 CG ARG A 61 -0.861 10.817 5.783 1.00 0.00 C ATOM 863 CD ARG A 61 -0.336 11.985 6.603 1.00 0.00 C ATOM 864 NE ARG A 61 -0.337 11.693 8.034 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.220 12.625 8.974 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.092 13.900 8.637 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.229 12.280 10.255 1.00 0.00 N ATOM 0 H ARG A 61 -0.560 12.408 2.201 1.00 0.00 H new ATOM 0 HA ARG A 61 1.124 11.121 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.306 12.239 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.827 10.606 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.823 10.495 6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.179 9.971 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.678 12.226 6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.949 12.866 6.412 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.433 10.721 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.083 14.169 7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.002 14.612 9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.326 11.299 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.139 12.995 10.976 1.00 0.00 H new ATOM 881 N VAL A 62 0.880 8.638 3.733 1.00 0.00 N ATOM 882 CA VAL A 62 0.977 7.238 3.341 1.00 0.00 C ATOM 883 C VAL A 62 0.082 6.361 4.210 1.00 0.00 C ATOM 884 O VAL A 62 -0.141 6.654 5.385 1.00 0.00 O ATOM 885 CB VAL A 62 2.427 6.726 3.436 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.548 5.345 2.811 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.381 7.706 2.772 1.00 0.00 C ATOM 0 H VAL A 62 1.304 8.853 4.636 1.00 0.00 H new ATOM 0 HA VAL A 62 0.646 7.177 2.304 1.00 0.00 H new ATOM 0 HB VAL A 62 2.698 6.646 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.579 5.000 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.893 4.650 3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.259 5.394 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.401 7.329 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.113 7.819 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.314 8.673 3.270 1.00 0.00 H new ATOM 897 N THR A 63 -0.429 5.282 3.624 1.00 0.00 N ATOM 898 CA THR A 63 -1.300 4.362 4.344 1.00 0.00 C ATOM 899 C THR A 63 -0.775 2.933 4.268 1.00 0.00 C ATOM 900 O THR A 63 -0.677 2.354 3.186 1.00 0.00 O ATOM 901 CB THR A 63 -2.737 4.398 3.790 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.316 5.688 4.015 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.597 3.329 4.445 1.00 0.00 C ATOM 0 H THR A 63 -0.254 5.024 2.653 1.00 0.00 H new ATOM 0 HA THR A 63 -1.311 4.688 5.384 1.00 0.00 H new ATOM 0 HB THR A 63 -2.695 4.201 2.719 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.229 5.704 3.659 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.607 3.374 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.170 2.346 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.632 3.499 5.521 1.00 0.00 H new ATOM 911 N HIS A 64 -0.437 2.369 5.423 1.00 0.00 N ATOM 912 CA HIS A 64 0.079 1.006 5.486 1.00 0.00 C ATOM 913 C HIS A 64 -1.022 0.028 5.885 1.00 0.00 C ATOM 914 O HIS A 64 -1.612 0.146 6.959 1.00 0.00 O ATOM 915 CB HIS A 64 1.237 0.922 6.481 1.00 0.00 C ATOM 916 CG HIS A 64 2.293 1.961 6.259 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.058 2.024 5.114 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.708 2.983 7.044 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.900 3.039 5.205 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.707 3.637 6.366 1.00 0.00 N ATOM 0 H HIS A 64 -0.511 2.834 6.328 1.00 0.00 H new ATOM 0 HA HIS A 64 0.442 0.734 4.495 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.844 1.025 7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.692 -0.066 6.415 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.325 3.237 8.021 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.623 3.330 4.457 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.217 4.453 6.705 1.00 0.00 H new ATOM 929 N ILE A 65 -1.293 -0.938 5.013 1.00 0.00 N ATOM 930 CA ILE A 65 -2.322 -1.937 5.275 1.00 0.00 C ATOM 931 C ILE A 65 -1.770 -3.349 5.115 1.00 0.00 C ATOM 932 O ILE A 65 -1.438 -3.777 4.010 1.00 0.00 O ATOM 933 CB ILE A 65 -3.530 -1.760 4.337 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.201 -0.407 4.584 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.524 -2.894 4.534 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.020 0.084 3.410 1.00 0.00 C ATOM 0 H ILE A 65 -0.814 -1.050 4.119 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.648 -1.792 6.305 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.178 -1.787 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.846 -0.485 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.435 0.332 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.372 -2.755 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.039 -3.845 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.874 -2.896 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.466 1.048 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.376 0.194 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.809 -0.636 3.190 1.00 0.00 H new ATOM 948 N LYS A 66 -1.677 -4.071 6.227 1.00 0.00 N ATOM 949 CA LYS A 66 -1.168 -5.438 6.212 1.00 0.00 C ATOM 950 C LYS A 66 -2.150 -6.375 5.514 1.00 0.00 C ATOM 951 O LYS A 66 -3.280 -6.556 5.966 1.00 0.00 O ATOM 952 CB LYS A 66 -0.911 -5.924 7.640 1.00 0.00 C ATOM 953 CG LYS A 66 0.411 -5.446 8.216 1.00 0.00 C ATOM 954 CD LYS A 66 0.868 -6.323 9.368 1.00 0.00 C ATOM 955 CE LYS A 66 2.334 -6.092 9.697 1.00 0.00 C ATOM 956 NZ LYS A 66 2.531 -4.874 10.529 1.00 0.00 N ATOM 0 H LYS A 66 -1.948 -3.732 7.150 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.229 -5.444 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.722 -5.583 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.931 -7.014 7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.171 -5.446 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.308 -4.417 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.259 -6.115 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.712 -7.371 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.729 -6.960 10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.903 -5.996 8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.425 -4.413 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.742 -4.215 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.564 -5.141 11.533 1.00 0.00 H new ATOM 970 N VAL A 67 -1.709 -6.970 4.410 1.00 0.00 N ATOM 971 CA VAL A 67 -2.546 -7.891 3.651 1.00 0.00 C ATOM 972 C VAL A 67 -2.446 -9.309 4.204 1.00 0.00 C ATOM 973 O VAL A 67 -1.439 -9.990 4.013 1.00 0.00 O ATOM 974 CB VAL A 67 -2.159 -7.904 2.160 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.015 -8.902 1.395 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.287 -6.511 1.565 1.00 0.00 C ATOM 0 H VAL A 67 -0.776 -6.830 4.021 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.573 -7.538 3.749 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.118 -8.215 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.727 -8.897 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.867 -9.900 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.065 -8.625 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.010 -6.539 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.317 -6.168 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.626 -5.826 2.096 1.00 0.00 H new ATOM 986 N MET A 68 -3.497 -9.746 4.890 1.00 0.00 N ATOM 987 CA MET A 68 -3.528 -11.084 5.470 1.00 0.00 C ATOM 988 C MET A 68 -3.607 -12.147 4.379 1.00 0.00 C ATOM 989 O MET A 68 -4.050 -11.874 3.263 1.00 0.00 O ATOM 990 CB MET A 68 -4.717 -11.224 6.421 1.00 0.00 C ATOM 991 CG MET A 68 -4.422 -10.754 7.837 1.00 0.00 C ATOM 992 SD MET A 68 -5.909 -10.617 8.848 1.00 0.00 S ATOM 993 CE MET A 68 -6.932 -9.581 7.805 1.00 0.00 C ATOM 0 H MET A 68 -4.338 -9.194 5.058 1.00 0.00 H new ATOM 0 HA MET A 68 -2.605 -11.231 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.557 -10.654 6.025 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.027 -12.269 6.451 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.729 -11.450 8.310 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.924 -9.785 7.798 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.493 -8.882 8.425 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.300 -9.025 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.626 -10.205 7.242 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.174 -13.360 4.707 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.194 -14.464 3.755 1.00 0.00 C ATOM 1005 C CYS A 69 -3.765 -15.724 4.396 1.00 0.00 C ATOM 1006 O CYS A 69 -3.273 -16.185 5.425 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.785 -14.738 3.229 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.702 -16.054 1.992 1.00 0.00 S ATOM 0 H CYS A 69 -2.805 -13.603 5.626 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.836 -14.180 2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.386 -13.821 2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.140 -15.001 4.068 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.712 -15.532 0.802 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.807 -16.275 3.781 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.446 -17.481 4.295 1.00 0.00 C ATOM 1016 C GLU A 70 -5.256 -18.649 3.332 1.00 0.00 C ATOM 1017 O GLU A 70 -6.077 -18.877 2.444 1.00 0.00 O ATOM 1018 CB GLU A 70 -6.938 -17.235 4.527 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.224 -16.103 5.498 1.00 0.00 C ATOM 1020 CD GLU A 70 -6.976 -16.495 6.942 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.607 -17.467 7.408 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -6.152 -15.831 7.605 1.00 0.00 O ATOM 0 H GLU A 70 -5.226 -15.906 2.927 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.975 -17.735 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.414 -17.012 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.394 -18.150 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.599 -15.246 5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.261 -15.786 5.385 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.164 -19.388 3.514 1.00 0.00 N ATOM 1030 CA GLY A 71 -3.885 -20.523 2.655 1.00 0.00 C ATOM 1031 C GLY A 71 -3.786 -20.133 1.193 1.00 0.00 C ATOM 1032 O GLY A 71 -4.417 -20.750 0.335 1.00 0.00 O ATOM 0 H GLY A 71 -3.469 -19.220 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.951 -20.990 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.671 -21.269 2.777 1.00 0.00 H new ATOM 1036 N GLY A 72 -2.995 -19.104 0.908 1.00 0.00 N ATOM 1037 CA GLY A 72 -2.833 -18.649 -0.460 1.00 0.00 C ATOM 1038 C GLY A 72 -3.655 -17.412 -0.762 1.00 0.00 C ATOM 1039 O GLY A 72 -3.147 -16.443 -1.325 1.00 0.00 O ATOM 0 H GLY A 72 -2.463 -18.577 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.780 -18.436 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.122 -19.449 -1.142 1.00 0.00 H new ATOM 1043 N ARG A 73 -4.930 -17.445 -0.387 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.825 -16.319 -0.623 1.00 0.00 C ATOM 1045 C ARG A 73 -5.391 -15.101 0.188 1.00 0.00 C ATOM 1046 O ARG A 73 -4.684 -15.227 1.187 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.262 -16.699 -0.264 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.799 -17.877 -1.061 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.319 -17.890 -1.080 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.860 -17.029 -2.127 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.814 -17.327 -3.421 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -9.254 -18.458 -3.825 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.329 -16.491 -4.314 1.00 0.00 N ATOM 0 H ARG A 73 -5.366 -18.239 0.081 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.778 -16.065 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.311 -16.938 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.908 -15.836 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.422 -17.829 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.431 -18.808 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.671 -18.910 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.697 -17.563 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.297 -16.150 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.857 -19.103 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.220 -18.684 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.760 -15.619 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.293 -16.720 -5.307 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.821 -13.923 -0.250 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.476 -12.681 0.433 1.00 0.00 C ATOM 1069 C TYR A 74 -6.730 -11.911 0.831 1.00 0.00 C ATOM 1070 O TYR A 74 -7.781 -12.043 0.204 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.592 -11.811 -0.463 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.304 -12.484 -0.881 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.499 -13.127 0.052 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.891 -12.476 -2.207 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.322 -13.744 -0.325 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.716 -13.091 -2.593 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.934 -13.723 -1.648 1.00 0.00 C ATOM 1078 OH TYR A 74 0.237 -14.335 -2.029 1.00 0.00 O ATOM 0 H TYR A 74 -6.409 -13.802 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.926 -12.935 1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.154 -11.535 -1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.355 -10.886 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.799 -13.145 1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.499 -11.980 -2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.709 -14.240 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.411 -13.077 -3.629 1.00 0.00 H new ATOM 0 HH TYR A 74 0.986 -13.945 -1.532 1.00 0.00 H new ATOM 1088 N THR A 75 -6.612 -11.102 1.881 1.00 0.00 N ATOM 1089 CA THR A 75 -7.737 -10.310 2.364 1.00 0.00 C ATOM 1090 C THR A 75 -7.256 -9.128 3.198 1.00 0.00 C ATOM 1091 O THR A 75 -6.065 -8.995 3.478 1.00 0.00 O ATOM 1092 CB THR A 75 -8.702 -11.162 3.210 1.00 0.00 C ATOM 1093 OG1 THR A 75 -9.952 -10.480 3.362 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.107 -11.453 4.581 1.00 0.00 C ATOM 0 H THR A 75 -5.750 -10.979 2.412 1.00 0.00 H new ATOM 0 HA THR A 75 -8.266 -9.941 1.485 1.00 0.00 H new ATOM 0 HB THR A 75 -8.865 -12.108 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.609 -11.087 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.806 -12.056 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.170 -11.997 4.463 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.918 -10.515 5.102 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.191 -8.270 3.593 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.864 -7.099 4.397 1.00 0.00 C ATOM 1104 C VAL A 76 -8.921 -6.852 5.467 1.00 0.00 C ATOM 1105 O VAL A 76 -10.021 -6.388 5.172 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.731 -5.837 3.523 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.589 -5.994 2.530 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.038 -5.549 2.803 1.00 0.00 C ATOM 0 H VAL A 76 -9.182 -8.364 3.369 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.907 -7.304 4.877 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.505 -4.989 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.510 -5.093 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.655 -6.150 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.782 -6.852 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.926 -4.654 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.297 -6.395 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.830 -5.391 3.535 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.580 -7.167 6.713 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.511 -6.974 7.809 1.00 0.00 C ATOM 1120 C GLY A 77 -10.939 -7.302 7.421 1.00 0.00 C ATOM 1121 O GLY A 77 -11.885 -6.762 7.995 1.00 0.00 O ATOM 0 H GLY A 77 -7.675 -7.553 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.213 -7.601 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.458 -5.940 8.148 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.096 -8.188 6.442 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.424 -8.570 5.994 1.00 0.00 C ATOM 1127 C GLY A 78 -12.523 -10.048 5.675 1.00 0.00 C ATOM 1128 O GLY A 78 -11.556 -10.660 5.219 1.00 0.00 O ATOM 0 H GLY A 78 -10.329 -8.648 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.151 -8.318 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.686 -7.992 5.108 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.696 -10.626 5.913 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.919 -12.043 5.649 1.00 0.00 C ATOM 1134 C LEU A 79 -13.694 -12.364 4.174 1.00 0.00 C ATOM 1135 O LEU A 79 -13.335 -13.486 3.822 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.338 -12.441 6.059 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.536 -12.796 7.534 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -15.448 -11.548 8.398 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -16.871 -13.496 7.739 1.00 0.00 C ATOM 0 H LEU A 79 -14.507 -10.135 6.288 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.203 -12.615 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.010 -11.620 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.643 -13.296 5.456 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.741 -13.479 7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.591 -11.819 9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.468 -11.087 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.222 -10.842 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.995 -13.741 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.680 -12.837 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -16.896 -14.412 7.148 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.908 -11.370 3.319 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.727 -11.546 1.883 1.00 0.00 C ATOM 1153 C GLU A 80 -12.348 -12.123 1.574 1.00 0.00 C ATOM 1154 O GLU A 80 -11.515 -12.283 2.468 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.909 -10.213 1.155 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.364 -9.821 0.957 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.563 -8.318 0.918 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.908 -7.654 0.088 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.374 -7.806 1.719 1.00 0.00 O ATOM 0 H GLU A 80 -14.207 -10.435 3.595 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.483 -12.249 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.404 -9.429 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.421 -10.271 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.730 -10.257 0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.963 -10.242 1.764 1.00 0.00 H new ATOM 1166 N THR A 81 -12.114 -12.433 0.303 1.00 0.00 N ATOM 1167 CA THR A 81 -10.837 -12.993 -0.123 1.00 0.00 C ATOM 1168 C THR A 81 -10.587 -12.726 -1.603 1.00 0.00 C ATOM 1169 O THR A 81 -11.483 -12.287 -2.326 1.00 0.00 O ATOM 1170 CB THR A 81 -10.777 -14.511 0.130 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.794 -15.174 -0.628 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.956 -14.821 1.609 1.00 0.00 C ATOM 0 H THR A 81 -12.791 -12.306 -0.449 1.00 0.00 H new ATOM 0 HA THR A 81 -10.064 -12.503 0.468 1.00 0.00 H new ATOM 0 HB THR A 81 -9.797 -14.871 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.748 -16.139 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.910 -15.899 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.163 -14.339 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.924 -14.448 1.945 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.364 -12.993 -2.049 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.995 -12.780 -3.445 1.00 0.00 C ATOM 1182 C PHE A 82 -7.928 -13.778 -3.883 1.00 0.00 C ATOM 1183 O PHE A 82 -6.991 -14.068 -3.138 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.489 -11.351 -3.649 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.497 -10.300 -3.282 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.578 -9.820 -1.985 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.364 -9.790 -4.236 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.505 -8.854 -1.645 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.294 -8.823 -3.902 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.364 -8.354 -2.605 1.00 0.00 C ATOM 0 H PHE A 82 -8.611 -13.357 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.884 -12.933 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.589 -11.204 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.204 -11.221 -4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.908 -10.206 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.312 -10.152 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.558 -8.490 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.965 -8.435 -4.654 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.089 -7.598 -2.341 1.00 0.00 H new ATOM 1200 N ASP A 83 -8.076 -14.299 -5.095 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.124 -15.264 -5.634 1.00 0.00 C ATOM 1202 C ASP A 83 -5.692 -14.859 -5.301 1.00 0.00 C ATOM 1203 O ASP A 83 -4.917 -15.657 -4.773 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.294 -15.388 -7.150 1.00 0.00 C ATOM 1205 CG ASP A 83 -6.359 -16.417 -7.754 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -6.436 -17.596 -7.353 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.550 -16.042 -8.629 1.00 0.00 O ATOM 0 H ASP A 83 -8.846 -14.070 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.325 -16.231 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.325 -15.661 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.112 -14.419 -7.614 1.00 0.00 H new ATOM 1212 N SER A 84 -5.346 -13.614 -5.613 1.00 0.00 N ATOM 1213 CA SER A 84 -4.006 -13.105 -5.352 1.00 0.00 C ATOM 1214 C SER A 84 -4.003 -11.580 -5.303 1.00 0.00 C ATOM 1215 O SER A 84 -5.029 -10.938 -5.536 1.00 0.00 O ATOM 1216 CB SER A 84 -3.033 -13.593 -6.428 1.00 0.00 C ATOM 1217 OG SER A 84 -3.507 -13.276 -7.725 1.00 0.00 O ATOM 0 H SER A 84 -5.976 -12.939 -6.047 1.00 0.00 H new ATOM 0 HA SER A 84 -3.684 -13.483 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.055 -13.136 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.899 -14.671 -6.340 1.00 0.00 H new ATOM 0 HG SER A 84 -2.867 -13.597 -8.395 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.846 -11.005 -4.998 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.708 -9.555 -4.918 1.00 0.00 C ATOM 1225 C LEU A 85 -3.356 -8.879 -6.123 1.00 0.00 C ATOM 1226 O LEU A 85 -3.866 -7.763 -6.023 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.231 -9.167 -4.834 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.629 -9.118 -3.429 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.507 -8.293 -2.501 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.443 -10.524 -2.879 1.00 0.00 C ATOM 0 H LEU A 85 -1.988 -11.521 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.218 -9.215 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.655 -9.875 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.106 -8.187 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 85 0.349 -8.641 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.063 -8.269 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.589 -7.277 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.499 -8.741 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.014 -10.470 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.409 -11.027 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.227 -11.084 -3.531 1.00 0.00 H new ATOM 1242 N THR A 86 -3.332 -9.564 -7.262 1.00 0.00 N ATOM 1243 CA THR A 86 -3.918 -9.032 -8.486 1.00 0.00 C ATOM 1244 C THR A 86 -5.428 -8.871 -8.350 1.00 0.00 C ATOM 1245 O THR A 86 -5.969 -7.789 -8.574 1.00 0.00 O ATOM 1246 CB THR A 86 -3.617 -9.938 -9.694 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.201 -10.046 -9.885 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.263 -9.391 -10.957 1.00 0.00 C ATOM 0 H THR A 86 -2.913 -10.489 -7.362 1.00 0.00 H new ATOM 0 HA THR A 86 -3.465 -8.055 -8.652 1.00 0.00 H new ATOM 0 HB THR A 86 -4.033 -10.925 -9.491 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.018 -10.625 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.036 -10.049 -11.796 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.343 -9.338 -10.820 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.874 -8.394 -11.162 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.101 -9.954 -7.979 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.550 -9.933 -7.810 1.00 0.00 C ATOM 1258 C ASP A 87 -7.949 -9.024 -6.652 1.00 0.00 C ATOM 1259 O ASP A 87 -9.002 -8.388 -6.683 1.00 0.00 O ATOM 1260 CB ASP A 87 -8.077 -11.348 -7.570 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.588 -11.428 -7.668 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.243 -10.368 -7.593 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.115 -12.550 -7.820 1.00 0.00 O ATOM 0 H ASP A 87 -5.667 -10.857 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.992 -9.540 -8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.632 -12.026 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.761 -11.688 -6.584 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.101 -8.970 -5.631 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.365 -8.140 -4.460 1.00 0.00 C ATOM 1270 C LEU A 88 -7.230 -6.659 -4.801 1.00 0.00 C ATOM 1271 O LEU A 88 -8.192 -5.898 -4.701 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.405 -8.503 -3.325 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.676 -7.833 -1.978 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.216 -8.727 -0.837 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.985 -6.479 -1.908 1.00 0.00 C ATOM 0 H LEU A 88 -6.225 -9.491 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.389 -8.328 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.434 -9.583 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.392 -8.249 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.750 -7.676 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.416 -8.235 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.755 -9.674 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.146 -8.915 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.189 -6.016 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.910 -6.613 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.361 -5.837 -2.705 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.029 -6.257 -5.206 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.769 -4.869 -5.566 1.00 0.00 C ATOM 1289 C VAL A 89 -6.738 -4.388 -6.639 1.00 0.00 C ATOM 1290 O VAL A 89 -7.477 -3.426 -6.436 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.326 -4.680 -6.069 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.075 -3.228 -6.444 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.330 -5.149 -5.020 1.00 0.00 C ATOM 0 H VAL A 89 -5.221 -6.874 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.911 -4.276 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.190 -5.288 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.050 -3.115 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.765 -2.932 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.230 -2.595 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.315 -5.008 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.465 -4.570 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.495 -6.205 -4.808 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.728 -5.064 -7.783 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.607 -4.705 -8.890 1.00 0.00 C ATOM 1305 C GLU A 90 -9.012 -4.387 -8.387 1.00 0.00 C ATOM 1306 O GLU A 90 -9.506 -3.272 -8.553 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.664 -5.841 -9.914 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.447 -5.905 -10.821 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.761 -6.498 -12.180 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.384 -7.580 -12.224 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.384 -5.883 -13.198 1.00 0.00 O ATOM 0 H GLU A 90 -6.121 -5.863 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.201 -3.814 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.764 -6.790 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.557 -5.722 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.043 -4.901 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.671 -6.500 -10.340 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.654 -5.377 -7.773 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.002 -5.205 -7.247 1.00 0.00 C ATOM 1320 C HIS A 91 -11.067 -4.008 -6.302 1.00 0.00 C ATOM 1321 O HIS A 91 -12.139 -3.451 -6.062 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.454 -6.470 -6.518 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.752 -6.310 -5.787 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.944 -6.826 -6.249 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -13.040 -5.687 -4.620 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.910 -6.526 -5.399 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.388 -5.837 -4.401 1.00 0.00 N ATOM 0 H HIS A 91 -9.261 -6.307 -7.628 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.672 -5.020 -8.087 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.551 -7.280 -7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.681 -6.766 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.341 -5.169 -3.981 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.950 -6.798 -5.503 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.902 -5.475 -3.598 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.914 -3.618 -5.769 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.840 -2.489 -4.849 1.00 0.00 C ATOM 1338 C PHE A 92 -9.512 -1.199 -5.596 1.00 0.00 C ATOM 1339 O PHE A 92 -9.737 -0.100 -5.089 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.786 -2.750 -3.772 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.339 -3.403 -2.537 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.488 -2.916 -1.936 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.711 -4.504 -1.979 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.999 -3.514 -0.799 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.216 -5.108 -0.843 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.362 -4.612 -0.253 1.00 0.00 C ATOM 0 H PHE A 92 -9.018 -4.067 -5.958 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.814 -2.375 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.002 -3.383 -4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.319 -1.805 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.990 -2.059 -2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.815 -4.896 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.894 -3.124 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.716 -5.966 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.760 -5.082 0.634 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.979 -1.342 -6.804 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.619 -0.191 -7.624 1.00 0.00 C ATOM 1358 C LYS A 93 -9.864 0.476 -8.200 1.00 0.00 C ATOM 1359 O LYS A 93 -9.823 1.634 -8.620 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.686 -0.618 -8.758 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.386 -1.239 -8.275 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.255 -1.002 -9.262 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.298 -2.000 -10.409 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.352 -1.633 -11.500 1.00 0.00 N ATOM 0 H LYS A 93 -8.786 -2.245 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.102 0.529 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.206 -1.333 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.457 0.251 -9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.119 -0.818 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.525 -2.310 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.322 0.012 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.298 -1.080 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.053 -2.994 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.311 -2.051 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.411 -2.338 -12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.601 -0.695 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.382 -1.609 -11.125 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.971 -0.258 -8.215 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.229 0.263 -8.736 1.00 0.00 C ATOM 1380 C LYS A 94 -13.206 0.561 -7.603 1.00 0.00 C ATOM 1381 O LYS A 94 -13.971 1.524 -7.665 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.854 -0.737 -9.712 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.992 -2.138 -9.143 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.460 -3.126 -10.198 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.286 -3.755 -10.932 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.696 -4.966 -11.697 1.00 0.00 N ATOM 0 H LYS A 94 -11.023 -1.217 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.017 1.193 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.839 -0.376 -10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.245 -0.779 -10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.033 -2.463 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.700 -2.127 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.057 -3.907 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.107 -2.618 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.850 -3.025 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.511 -4.024 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.868 -5.366 -12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.089 -5.673 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.418 -4.705 -12.399 1.00 0.00 H new ATOM 1400 N THR A 95 -13.174 -0.271 -6.567 1.00 0.00 N ATOM 1401 CA THR A 95 -14.057 -0.096 -5.419 1.00 0.00 C ATOM 1402 C THR A 95 -13.433 0.832 -4.383 1.00 0.00 C ATOM 1403 O THR A 95 -14.116 1.669 -3.794 1.00 0.00 O ATOM 1404 CB THR A 95 -14.384 -1.445 -4.753 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.184 -2.059 -4.272 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.081 -2.378 -5.732 1.00 0.00 C ATOM 0 H THR A 95 -12.547 -1.072 -6.499 1.00 0.00 H new ATOM 0 HA THR A 95 -14.979 0.349 -5.793 1.00 0.00 H new ATOM 0 HB THR A 95 -15.055 -1.257 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.047 -2.913 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.302 -3.324 -5.238 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.010 -1.921 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.431 -2.558 -6.588 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.131 0.678 -4.165 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.437 1.510 -3.200 1.00 0.00 C ATOM 1416 C GLY A 96 -11.454 0.917 -1.805 1.00 0.00 C ATOM 1417 O GLY A 96 -12.215 -0.010 -1.526 1.00 0.00 O ATOM 0 H GLY A 96 -11.544 -0.008 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.404 1.648 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.899 2.497 -3.177 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.610 1.449 -0.926 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.531 0.965 0.446 1.00 0.00 C ATOM 1423 C ILE A 97 -10.902 2.063 1.438 1.00 0.00 C ATOM 1424 O ILE A 97 -10.562 3.229 1.244 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.120 0.444 0.778 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.789 -0.779 -0.079 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.016 0.105 2.258 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.314 -1.111 -0.115 1.00 0.00 C ATOM 0 H ILE A 97 -9.972 2.215 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.243 0.144 0.533 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.397 1.228 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.337 -1.640 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.139 -0.605 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.013 -0.262 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.213 0.998 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.747 -0.665 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.154 -1.989 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.761 -0.266 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.963 -1.317 0.896 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.601 1.678 2.502 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.018 2.630 3.525 1.00 0.00 C ATOM 1442 C GLU A 98 -11.228 2.424 4.815 1.00 0.00 C ATOM 1443 O GLU A 98 -10.928 1.293 5.195 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.516 2.491 3.803 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.987 3.288 5.008 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.471 3.602 4.955 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.235 2.764 4.430 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.867 4.683 5.437 1.00 0.00 O ATOM 0 H GLU A 98 -11.890 0.716 2.677 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.817 3.635 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.072 2.815 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.752 1.438 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.770 2.727 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.424 4.220 5.066 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.894 3.525 5.481 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.139 3.464 6.726 1.00 0.00 C ATOM 1457 C GLU A 99 -11.057 3.655 7.930 1.00 0.00 C ATOM 1458 O GLU A 99 -12.095 4.310 7.835 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.041 4.529 6.735 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.758 4.087 6.051 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.798 3.399 7.001 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.950 3.574 8.228 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.895 2.684 6.518 1.00 0.00 O ATOM 0 H GLU A 99 -11.134 4.469 5.179 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.680 2.478 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.414 5.427 6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.818 4.800 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -8.002 3.409 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.268 4.955 5.611 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.668 3.077 9.062 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.454 3.185 10.284 1.00 0.00 C ATOM 1472 C ALA A 100 -11.740 4.643 10.627 1.00 0.00 C ATOM 1473 O ALA A 100 -12.896 5.053 10.723 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.734 2.500 11.436 1.00 0.00 C ATOM 0 H ALA A 100 -9.813 2.529 9.158 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.409 2.686 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.332 2.588 12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.588 1.446 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.765 2.974 11.593 1.00 0.00 H new ATOM 1480 N SER A 101 -10.678 5.421 10.812 1.00 0.00 N ATOM 1481 CA SER A 101 -10.815 6.833 11.149 1.00 0.00 C ATOM 1482 C SER A 101 -11.874 7.499 10.276 1.00 0.00 C ATOM 1483 O SER A 101 -12.978 7.792 10.733 1.00 0.00 O ATOM 1484 CB SER A 101 -9.474 7.550 10.984 1.00 0.00 C ATOM 1485 OG SER A 101 -8.707 7.478 12.173 1.00 0.00 O ATOM 0 H SER A 101 -9.714 5.097 10.734 1.00 0.00 H new ATOM 0 HA SER A 101 -11.131 6.905 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.917 7.102 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.646 8.594 10.721 1.00 0.00 H new ATOM 0 HG SER A 101 -7.854 7.942 12.041 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.528 7.737 9.014 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.458 8.367 8.096 1.00 0.00 C ATOM 1493 C GLY A 102 -11.805 8.747 6.781 1.00 0.00 C ATOM 1494 O GLY A 102 -12.199 9.724 6.145 1.00 0.00 O ATOM 0 H GLY A 102 -10.620 7.504 8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.289 7.689 7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.876 9.259 8.562 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.804 7.974 6.373 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.097 8.234 5.125 1.00 0.00 C ATOM 1500 C ALA A 103 -10.399 7.159 4.088 1.00 0.00 C ATOM 1501 O ALA A 103 -10.768 6.036 4.432 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.600 8.322 5.377 1.00 0.00 C ATOM 0 H ALA A 103 -10.464 7.162 6.889 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.445 9.189 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.084 8.516 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.396 9.132 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.246 7.381 5.798 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.243 7.509 2.816 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.501 6.574 1.727 1.00 0.00 C ATOM 1510 C PHE A 104 -9.303 6.492 0.785 1.00 0.00 C ATOM 1511 O PHE A 104 -8.963 7.463 0.108 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.748 6.996 0.949 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.013 6.364 1.454 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.441 5.144 0.955 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.774 6.989 2.429 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.605 4.561 1.418 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.939 6.410 2.897 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.354 5.193 2.391 1.00 0.00 C ATOM 0 H PHE A 104 -9.939 8.434 2.513 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.668 5.588 2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.848 8.080 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.616 6.736 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.858 4.643 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.453 7.940 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.929 3.611 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.523 6.908 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.262 4.737 2.756 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.666 5.326 0.747 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.507 5.115 -0.111 1.00 0.00 C ATOM 1530 C VAL A 105 -7.931 4.727 -1.523 1.00 0.00 C ATOM 1531 O VAL A 105 -8.776 3.850 -1.709 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.581 4.022 0.454 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.447 3.727 -0.517 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.037 4.435 1.813 1.00 0.00 C ATOM 0 H VAL A 105 -8.934 4.513 1.301 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.963 6.059 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.162 3.109 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.803 2.952 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.860 3.384 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.864 4.633 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.385 3.651 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.471 5.361 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.865 4.589 2.505 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.341 5.384 -2.514 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.659 5.108 -3.910 1.00 0.00 C ATOM 1546 C TYR A 106 -6.418 4.653 -4.672 1.00 0.00 C ATOM 1547 O TYR A 106 -5.354 5.264 -4.571 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.251 6.353 -4.574 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.487 6.880 -3.881 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.492 6.017 -3.461 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.650 8.240 -3.646 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.624 6.494 -2.828 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.776 8.725 -3.012 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.761 7.848 -2.605 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.886 8.328 -1.974 1.00 0.00 O ATOM 0 H TYR A 106 -6.640 6.112 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.394 4.304 -3.937 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.494 7.137 -4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.497 6.120 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.387 4.956 -3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.882 8.929 -3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.397 5.810 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.886 9.785 -2.835 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.825 9.303 -1.894 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.564 3.576 -5.437 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.456 3.037 -6.217 1.00 0.00 C ATOM 1567 C LEU A 107 -5.676 3.274 -7.708 1.00 0.00 C ATOM 1568 O LEU A 107 -6.370 2.504 -8.374 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.296 1.540 -5.945 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.386 1.111 -4.481 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.826 0.796 -4.106 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.490 -0.090 -4.220 1.00 0.00 C ATOM 0 H LEU A 107 -7.438 3.060 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.545 3.554 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.061 1.005 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.331 1.221 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.041 1.937 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.872 0.492 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.443 1.683 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.197 -0.013 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.567 -0.381 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.803 -0.921 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.457 0.170 -4.449 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.079 4.342 -8.228 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.208 4.679 -9.640 1.00 0.00 C ATOM 1586 C ARG A 108 -4.055 4.091 -10.446 1.00 0.00 C ATOM 1587 O ARG A 108 -4.264 3.512 -11.513 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.250 6.197 -9.822 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.391 6.869 -9.076 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.831 8.151 -9.766 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.525 7.885 -11.023 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.149 8.820 -11.730 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.166 10.076 -11.305 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.759 8.500 -12.864 1.00 0.00 N ATOM 0 H ARG A 108 -4.501 4.989 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.141 4.250 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.305 6.621 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.338 6.425 -10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.236 6.183 -9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.078 7.093 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.487 8.714 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.959 8.777 -9.958 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.531 6.929 -11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.699 10.326 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.646 10.792 -11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.749 7.535 -13.194 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.238 9.219 -13.406 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.840 4.245 -9.932 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.654 3.730 -10.606 1.00 0.00 C ATOM 1610 C GLN A 109 -0.633 3.217 -9.595 1.00 0.00 C ATOM 1611 O GLN A 109 -0.453 3.782 -8.516 1.00 0.00 O ATOM 1612 CB GLN A 109 -1.024 4.818 -11.477 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.463 5.986 -10.681 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.495 7.066 -10.425 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.477 7.190 -11.159 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.279 7.857 -9.381 1.00 0.00 N ATOM 0 H GLN A 109 -2.650 4.722 -9.051 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.960 2.898 -11.240 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.224 4.377 -12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.773 5.191 -12.176 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.080 5.621 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.381 6.416 -11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.453 7.719 -8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.939 8.602 -9.161 1.00 0.00 H new ATOM 1625 N PRO A 110 0.051 2.118 -9.950 1.00 0.00 N ATOM 1626 CA PRO A 110 1.066 1.506 -9.088 1.00 0.00 C ATOM 1627 C PRO A 110 2.318 2.365 -8.964 1.00 0.00 C ATOM 1628 O PRO A 110 2.314 3.542 -9.326 1.00 0.00 O ATOM 1629 CB PRO A 110 1.388 0.190 -9.800 1.00 0.00 C ATOM 1630 CG PRO A 110 1.052 0.441 -11.230 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.113 1.392 -11.221 1.00 0.00 C ATOM 0 HA PRO A 110 0.709 1.378 -8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.438 -0.078 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.801 -0.634 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.902 0.870 -11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.794 -0.488 -11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.087 2.067 -12.076 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.065 0.862 -11.262 1.00 0.00 H new ATOM 1639 N TYR A 111 3.390 1.770 -8.453 1.00 0.00 N ATOM 1640 CA TYR A 111 4.651 2.483 -8.280 1.00 0.00 C ATOM 1641 C TYR A 111 5.831 1.610 -8.694 1.00 0.00 C ATOM 1642 O TYR A 111 6.186 0.656 -8.002 1.00 0.00 O ATOM 1643 CB TYR A 111 4.815 2.925 -6.825 1.00 0.00 C ATOM 1644 CG TYR A 111 6.153 3.566 -6.534 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.425 4.868 -6.939 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.147 2.871 -5.857 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.646 5.457 -6.677 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.371 3.452 -5.588 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.616 4.745 -6.000 1.00 0.00 C ATOM 1650 OH TYR A 111 9.834 5.328 -5.736 1.00 0.00 O ATOM 0 H TYR A 111 3.411 0.796 -8.151 1.00 0.00 H new ATOM 0 HA TYR A 111 4.632 3.365 -8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.022 3.630 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.687 2.060 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.668 5.428 -7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.959 1.857 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.841 6.469 -7.000 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.131 2.897 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 111 9.723 6.021 -5.052 1.00 0.00 H new ATOM 1660 N TYR A 112 6.436 1.945 -9.828 1.00 0.00 N ATOM 1661 CA TYR A 112 7.576 1.193 -10.337 1.00 0.00 C ATOM 1662 C TYR A 112 8.891 1.819 -9.880 1.00 0.00 C ATOM 1663 O TYR A 112 8.954 3.012 -9.586 1.00 0.00 O ATOM 1664 CB TYR A 112 7.533 1.132 -11.865 1.00 0.00 C ATOM 1665 CG TYR A 112 6.154 0.858 -12.421 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.514 -0.353 -12.179 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.491 1.807 -13.188 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.254 -0.608 -12.685 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.231 1.561 -13.697 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.617 0.352 -13.443 1.00 0.00 C ATOM 1671 OH TYR A 112 2.361 0.103 -13.949 1.00 0.00 O ATOM 0 H TYR A 112 6.156 2.733 -10.412 1.00 0.00 H new ATOM 0 HA TYR A 112 7.518 0.181 -9.937 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.897 2.077 -12.268 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.215 0.355 -12.209 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.010 -1.107 -11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.969 2.754 -13.390 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.771 -1.554 -12.488 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.729 2.311 -14.291 1.00 0.00 H new ATOM 0 HH TYR A 112 2.053 0.881 -14.459 1.00 0.00 H new ATOM 1681 N SER A 113 9.939 1.003 -9.823 1.00 0.00 N ATOM 1682 CA SER A 113 11.252 1.474 -9.399 1.00 0.00 C ATOM 1683 C SER A 113 12.130 1.794 -10.605 1.00 0.00 C ATOM 1684 O SER A 113 11.999 1.181 -11.664 1.00 0.00 O ATOM 1685 CB SER A 113 11.935 0.423 -8.522 1.00 0.00 C ATOM 1686 OG SER A 113 12.981 0.998 -7.758 1.00 0.00 O ATOM 0 H SER A 113 9.904 0.013 -10.065 1.00 0.00 H new ATOM 0 HA SER A 113 11.114 2.387 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.202 -0.032 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.334 -0.374 -9.149 1.00 0.00 H new ATOM 0 HG SER A 113 13.400 0.306 -7.205 1.00 0.00 H new ATOM 1692 N GLY A 114 13.028 2.760 -10.436 1.00 0.00 N ATOM 1693 CA GLY A 114 13.915 3.146 -11.517 1.00 0.00 C ATOM 1694 C GLY A 114 13.614 4.535 -12.046 1.00 0.00 C ATOM 1695 O GLY A 114 12.544 4.795 -12.596 1.00 0.00 O ATOM 0 H GLY A 114 13.157 3.282 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.947 3.109 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.828 2.424 -12.329 1.00 0.00 H new ATOM 1699 N PRO A 115 14.575 5.457 -11.879 1.00 0.00 N ATOM 1700 CA PRO A 115 14.430 6.842 -12.336 1.00 0.00 C ATOM 1701 C PRO A 115 14.449 6.956 -13.855 1.00 0.00 C ATOM 1702 O PRO A 115 15.139 6.197 -14.536 1.00 0.00 O ATOM 1703 CB PRO A 115 15.649 7.543 -11.731 1.00 0.00 C ATOM 1704 CG PRO A 115 16.657 6.462 -11.548 1.00 0.00 C ATOM 1705 CD PRO A 115 15.875 5.217 -11.231 1.00 0.00 C ATOM 0 HA PRO A 115 13.477 7.275 -12.031 1.00 0.00 H new ATOM 0 HB2 PRO A 115 16.023 8.325 -12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.402 8.018 -10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 115 17.255 6.329 -12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 115 17.348 6.705 -10.741 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.362 4.325 -11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.768 5.073 -10.156 1.00 0.00 H new ATOM 1713 N SER A 116 13.688 7.909 -14.382 1.00 0.00 N ATOM 1714 CA SER A 116 13.615 8.121 -15.823 1.00 0.00 C ATOM 1715 C SER A 116 14.445 9.332 -16.238 1.00 0.00 C ATOM 1716 O SER A 116 13.909 10.415 -16.473 1.00 0.00 O ATOM 1717 CB SER A 116 12.160 8.312 -16.259 1.00 0.00 C ATOM 1718 OG SER A 116 11.427 7.107 -16.131 1.00 0.00 O ATOM 0 H SER A 116 13.113 8.547 -13.833 1.00 0.00 H new ATOM 0 HA SER A 116 14.022 7.238 -16.316 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.695 9.090 -15.654 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.129 8.652 -17.294 1.00 0.00 H new ATOM 0 HG SER A 116 10.501 7.256 -16.414 1.00 0.00 H new ATOM 1724 N SER A 117 15.757 9.139 -16.324 1.00 0.00 N ATOM 1725 CA SER A 117 16.664 10.215 -16.707 1.00 0.00 C ATOM 1726 C SER A 117 16.872 10.240 -18.218 1.00 0.00 C ATOM 1727 O SER A 117 17.738 9.545 -18.749 1.00 0.00 O ATOM 1728 CB SER A 117 18.011 10.052 -15.998 1.00 0.00 C ATOM 1729 OG SER A 117 18.968 10.966 -16.506 1.00 0.00 O ATOM 0 H SER A 117 16.216 8.248 -16.134 1.00 0.00 H new ATOM 0 HA SER A 117 16.214 11.160 -16.405 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.884 10.211 -14.927 1.00 0.00 H new ATOM 0 HB3 SER A 117 18.373 9.032 -16.128 1.00 0.00 H new ATOM 0 HG SER A 117 19.819 10.843 -16.036 1.00 0.00 H new ATOM 1735 N GLY A 118 16.069 11.047 -18.906 1.00 0.00 N ATOM 1736 CA GLY A 118 16.180 11.149 -20.350 1.00 0.00 C ATOM 1737 C GLY A 118 16.136 12.584 -20.835 1.00 0.00 C ATOM 1738 O GLY A 118 17.137 13.070 -21.359 1.00 0.00 O ATOM 0 H GLY A 118 15.344 11.631 -18.489 1.00 0.00 H new ATOM 0 HA2 GLY A 118 17.113 10.688 -20.673 1.00 0.00 H new ATOM 0 HA3 GLY A 118 15.370 10.587 -20.814 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 11.956 11.561 19.126 1.00 0.00 N ATOM 1744 CA MET B 1 12.041 12.027 17.748 1.00 0.00 C ATOM 1745 C MET B 1 12.248 10.858 16.790 1.00 0.00 C ATOM 1746 O MET B 1 11.561 10.748 15.773 1.00 0.00 O ATOM 1747 CB MET B 1 13.184 13.033 17.597 1.00 0.00 C ATOM 1748 CG MET B 1 12.974 14.315 18.388 1.00 0.00 C ATOM 1749 SD MET B 1 11.452 15.170 17.934 1.00 0.00 S ATOM 1750 CE MET B 1 10.752 15.494 19.551 1.00 0.00 C ATOM 0 H1 MET B 1 11.698 12.355 19.746 1.00 0.00 H new ATOM 0 H2 MET B 1 11.233 10.817 19.197 1.00 0.00 H new ATOM 0 H3 MET B 1 12.877 11.178 19.420 1.00 0.00 H new ATOM 0 HA MET B 1 11.100 12.516 17.498 1.00 0.00 H new ATOM 0 HB2 MET B 1 14.114 12.565 17.920 1.00 0.00 H new ATOM 0 HB3 MET B 1 13.301 13.282 16.542 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.951 14.081 19.452 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.822 14.980 18.226 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.804 16.020 19.438 1.00 0.00 H new ATOM 0 HE2 MET B 1 10.584 14.551 20.070 1.00 0.00 H new ATOM 0 HE3 MET B 1 11.442 16.109 20.129 1.00 0.00 H new ATOM 1760 N ASP B 2 13.196 9.989 17.120 1.00 0.00 N ATOM 1761 CA ASP B 2 13.492 8.829 16.289 1.00 0.00 C ATOM 1762 C ASP B 2 12.288 7.897 16.208 1.00 0.00 C ATOM 1763 O ASP B 2 12.023 7.126 17.130 1.00 0.00 O ATOM 1764 CB ASP B 2 14.701 8.073 16.843 1.00 0.00 C ATOM 1765 CG ASP B 2 14.923 6.744 16.147 1.00 0.00 C ATOM 1766 OD1 ASP B 2 14.483 6.601 14.986 1.00 0.00 O ATOM 1767 OD2 ASP B 2 15.536 5.848 16.762 1.00 0.00 O ATOM 0 H ASP B 2 13.773 10.066 17.958 1.00 0.00 H new ATOM 0 HA ASP B 2 13.723 9.183 15.284 1.00 0.00 H new ATOM 0 HB2 ASP B 2 15.593 8.690 16.734 1.00 0.00 H new ATOM 0 HB3 ASP B 2 14.561 7.902 17.910 1.00 0.00 H new ATOM 1772 N ASN B 3 11.560 7.974 15.098 1.00 0.00 N ATOM 1773 CA ASN B 3 10.381 7.138 14.898 1.00 0.00 C ATOM 1774 C ASN B 3 10.777 5.679 14.692 1.00 0.00 C ATOM 1775 O ASN B 3 10.931 5.222 13.560 1.00 0.00 O ATOM 1776 CB ASN B 3 9.577 7.635 13.694 1.00 0.00 C ATOM 1777 CG ASN B 3 10.427 7.764 12.445 1.00 0.00 C ATOM 1778 OD1 ASN B 3 11.385 8.537 12.410 1.00 0.00 O ATOM 1779 ND2 ASN B 3 10.078 7.006 11.412 1.00 0.00 N ATOM 0 H ASN B 3 11.765 8.606 14.324 1.00 0.00 H new ATOM 0 HA ASN B 3 9.762 7.205 15.793 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.754 6.947 13.501 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.134 8.603 13.930 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.612 7.050 10.544 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.276 6.380 11.487 1.00 0.00 H new ATOM 1786 N GLN B 4 10.940 4.955 15.795 1.00 0.00 N ATOM 1787 CA GLN B 4 11.318 3.548 15.734 1.00 0.00 C ATOM 1788 C GLN B 4 10.122 2.679 15.360 1.00 0.00 C ATOM 1789 O GLN B 4 9.420 2.164 16.229 1.00 0.00 O ATOM 1790 CB GLN B 4 11.893 3.095 17.077 1.00 0.00 C ATOM 1791 CG GLN B 4 13.254 3.696 17.391 1.00 0.00 C ATOM 1792 CD GLN B 4 13.798 3.243 18.732 1.00 0.00 C ATOM 1793 OE1 GLN B 4 13.112 3.324 19.751 1.00 0.00 O ATOM 1794 NE2 GLN B 4 15.036 2.764 18.738 1.00 0.00 N ATOM 0 H GLN B 4 10.816 5.319 16.740 1.00 0.00 H new ATOM 0 HA GLN B 4 12.081 3.435 14.963 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.195 3.363 17.870 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.976 2.008 17.079 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.958 3.421 16.606 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.177 4.783 17.383 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.568 2.715 17.869 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.455 2.445 19.611 1.00 0.00 H new ATOM 1803 N GLY B 5 9.897 2.519 14.060 1.00 0.00 N ATOM 1804 CA GLY B 5 8.784 1.711 13.593 1.00 0.00 C ATOM 1805 C GLY B 5 7.574 2.548 13.228 1.00 0.00 C ATOM 1806 O GLY B 5 7.076 3.323 14.043 1.00 0.00 O ATOM 0 H GLY B 5 10.465 2.934 13.321 1.00 0.00 H new ATOM 0 HA2 GLY B 5 9.098 1.133 12.724 1.00 0.00 H new ATOM 0 HA3 GLY B 5 8.507 0.996 14.368 1.00 0.00 H new ATOM 1810 N VAL B 6 7.100 2.391 11.995 1.00 0.00 N ATOM 1811 CA VAL B 6 5.940 3.138 11.523 1.00 0.00 C ATOM 1812 C VAL B 6 4.645 2.396 11.832 1.00 0.00 C ATOM 1813 O VAL B 6 4.585 1.169 11.744 1.00 0.00 O ATOM 1814 CB VAL B 6 6.021 3.399 10.007 1.00 0.00 C ATOM 1815 CG1 VAL B 6 7.214 4.284 9.680 1.00 0.00 C ATOM 1816 CG2 VAL B 6 6.097 2.085 9.243 1.00 0.00 C ATOM 0 H VAL B 6 7.501 1.754 11.306 1.00 0.00 H new ATOM 0 HA VAL B 6 5.942 4.092 12.050 1.00 0.00 H new ATOM 0 HB VAL B 6 5.116 3.921 9.698 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.255 4.457 8.605 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.112 5.238 10.198 1.00 0.00 H new ATOM 0 HG13 VAL B 6 8.131 3.792 10.003 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.154 2.289 8.174 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.984 1.534 9.555 1.00 0.00 H new ATOM 0 HG23 VAL B 6 5.208 1.490 9.452 1.00 0.00 H new ATOM 1826 N ILE B 7 3.611 3.147 12.192 1.00 0.00 N ATOM 1827 CA ILE B 7 2.316 2.560 12.513 1.00 0.00 C ATOM 1828 C ILE B 7 1.639 2.008 11.263 1.00 0.00 C ATOM 1829 O ILE B 7 1.961 2.403 10.143 1.00 0.00 O ATOM 1830 CB ILE B 7 1.381 3.588 13.177 1.00 0.00 C ATOM 1831 CG1 ILE B 7 2.121 4.344 14.283 1.00 0.00 C ATOM 1832 CG2 ILE B 7 0.145 2.897 13.735 1.00 0.00 C ATOM 1833 CD1 ILE B 7 2.504 3.471 15.459 1.00 0.00 C ATOM 0 H ILE B 7 3.644 4.164 12.269 1.00 0.00 H new ATOM 0 HA ILE B 7 2.503 1.746 13.213 1.00 0.00 H new ATOM 0 HB ILE B 7 1.062 4.307 12.423 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.022 4.793 13.865 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.492 5.161 14.637 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.506 3.637 14.201 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.391 2.400 12.926 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.445 2.158 14.478 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.025 4.072 16.204 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.605 3.043 15.902 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.158 2.669 15.119 1.00 0.00 H new HETATM 1845 N PTR B 8 0.696 1.093 11.462 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.027 0.485 10.352 1.00 0.00 C HETATM 1847 C PTR B 8 -1.523 0.769 10.456 1.00 0.00 C HETATM 1848 O PTR B 8 -2.222 0.179 11.281 1.00 0.00 O HETATM 1849 CB PTR B 8 0.217 -1.024 10.323 1.00 0.00 C HETATM 1850 CG PTR B 8 1.468 -1.421 9.571 1.00 0.00 C HETATM 1851 CD1 PTR B 8 2.727 -1.083 10.052 1.00 0.00 C HETATM 1852 CD2 PTR B 8 1.390 -2.134 8.382 1.00 0.00 C HETATM 1853 CE1 PTR B 8 3.872 -1.443 9.368 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.530 -2.498 7.692 1.00 0.00 C HETATM 1855 CZ PTR B 8 3.769 -2.151 8.190 1.00 0.00 C HETATM 1856 OH PTR B 8 4.908 -2.511 7.506 1.00 0.00 O HETATM 1857 P PTR B 8 5.741 -3.854 7.755 1.00 0.00 P HETATM 1858 O1P PTR B 8 7.099 -3.523 8.243 1.00 0.00 O HETATM 1859 O2P PTR B 8 5.059 -4.694 8.765 1.00 0.00 O HETATM 1860 O3P PTR B 8 5.857 -4.620 6.493 1.00 0.00 O HETATM 0 HE2 PTR B 8 2.451 -3.056 6.759 1.00 0.00 H new HETATM 0 HE1 PTR B 8 4.852 -1.168 9.758 1.00 0.00 H new HETATM 0 HD2 PTR B 8 0.413 -2.411 7.986 1.00 0.00 H new HETATM 0 HD1 PTR B 8 2.813 -0.525 10.984 1.00 0.00 H new HETATM 0 HB3 PTR B 8 0.286 -1.392 11.347 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -0.643 -1.514 9.866 1.00 0.00 H new HETATM 0 HA PTR B 8 0.344 0.924 9.426 1.00 0.00 H new ATOM 1869 N SER B 9 -2.006 1.674 9.612 1.00 0.00 N ATOM 1870 CA SER B 9 -3.419 2.039 9.610 1.00 0.00 C ATOM 1871 C SER B 9 -4.301 0.795 9.577 1.00 0.00 C ATOM 1872 O SER B 9 -3.819 -0.316 9.358 1.00 0.00 O ATOM 1873 CB SER B 9 -3.733 2.933 8.410 1.00 0.00 C ATOM 1874 OG SER B 9 -2.909 4.086 8.402 1.00 0.00 O ATOM 0 H SER B 9 -1.441 2.168 8.921 1.00 0.00 H new ATOM 0 HA SER B 9 -3.630 2.588 10.528 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.587 2.372 7.487 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.781 3.232 8.440 1.00 0.00 H new ATOM 0 HG SER B 9 -3.129 4.640 7.624 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.597 0.991 9.795 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.548 -0.114 9.790 1.00 0.00 C ATOM 1882 C ASP B 10 -7.748 0.207 8.905 1.00 0.00 C ATOM 1883 O ASP B 10 -7.782 1.241 8.237 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.016 -0.419 11.214 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.158 -1.469 11.892 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -6.297 -2.661 11.546 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -5.351 -1.100 12.770 1.00 0.00 O ATOM 0 H ASP B 10 -6.013 1.904 9.977 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.045 -0.992 9.386 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -6.998 0.498 11.804 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.051 -0.761 11.188 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.732 -0.686 8.904 1.00 0.00 N ATOM 1893 CA LEU B 11 -9.934 -0.499 8.099 1.00 0.00 C ATOM 1894 C LEU B 11 -11.153 -0.271 8.988 1.00 0.00 C ATOM 1895 O LEU B 11 -11.035 -0.179 10.209 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.164 -1.715 7.200 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.076 -2.001 6.166 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.432 -3.227 5.340 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -8.864 -0.793 5.266 1.00 0.00 C ATOM 0 H LEU B 11 -8.721 -1.546 9.452 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.791 0.383 7.475 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.275 -2.595 7.834 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.110 -1.580 6.675 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.145 -2.203 6.695 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -8.645 -3.414 4.609 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.531 -4.092 5.996 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.375 -3.055 4.821 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.086 -1.015 4.536 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.793 -0.559 4.746 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.561 0.062 5.870 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.324 -0.183 8.365 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.566 0.032 9.100 1.00 0.00 C ATOM 1913 C ASN B 12 -14.057 -1.266 9.731 1.00 0.00 C ATOM 1914 O ASN B 12 -14.371 -1.312 10.921 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.641 0.599 8.171 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.353 -0.483 7.381 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.448 -0.913 7.743 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -14.730 -0.930 6.296 1.00 0.00 N ATOM 0 H ASN B 12 -12.439 -0.257 7.354 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.368 0.749 9.896 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.371 1.154 8.761 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.184 1.308 7.481 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.159 -1.659 5.726 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -13.823 -0.544 6.033 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.121 -2.322 8.926 1.00 0.00 N ATOM 1926 CA LEU B 13 -14.573 -3.623 9.404 1.00 0.00 C ATOM 1927 C LEU B 13 -13.901 -3.980 10.727 1.00 0.00 C ATOM 1928 O LEU B 13 -14.557 -4.317 11.714 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.279 -4.703 8.362 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.137 -4.221 6.918 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -12.688 -3.874 6.611 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.651 -5.276 5.950 1.00 0.00 C ATOM 0 H LEU B 13 -13.865 -2.302 7.939 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.649 -3.568 9.567 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.358 -5.213 8.646 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.078 -5.443 8.400 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.739 -3.321 6.795 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.606 -3.533 5.579 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.353 -3.083 7.282 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.065 -4.757 6.752 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.542 -4.915 4.927 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.077 -6.194 6.074 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.703 -5.475 6.154 1.00 0.00 H new ATOM 1944 N PRO B 14 -12.562 -3.905 10.750 1.00 0.00 N ATOM 1945 CA PRO B 14 -11.773 -4.214 11.945 1.00 0.00 C ATOM 1946 C PRO B 14 -11.948 -3.169 13.042 1.00 0.00 C ATOM 1947 O PRO B 14 -12.041 -1.970 12.781 1.00 0.00 O ATOM 1948 CB PRO B 14 -10.331 -4.210 11.430 1.00 0.00 C ATOM 1949 CG PRO B 14 -10.360 -3.324 10.232 1.00 0.00 C ATOM 1950 CD PRO B 14 -11.716 -3.512 9.611 1.00 0.00 C ATOM 0 HA PRO B 14 -12.076 -5.157 12.399 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -9.642 -3.832 12.185 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.000 -5.216 11.171 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.200 -2.283 10.513 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -9.569 -3.590 9.531 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.074 -2.595 9.142 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -11.701 -4.280 8.838 1.00 0.00 H new ATOM 1958 N PRO B 15 -11.995 -3.633 14.300 1.00 0.00 N ATOM 1959 CA PRO B 15 -12.159 -2.754 15.462 1.00 0.00 C ATOM 1960 C PRO B 15 -10.924 -1.897 15.720 1.00 0.00 C ATOM 1961 O PRO B 15 -10.968 -0.673 15.593 1.00 0.00 O ATOM 1962 CB PRO B 15 -12.382 -3.732 16.618 1.00 0.00 C ATOM 1963 CG PRO B 15 -11.723 -4.994 16.179 1.00 0.00 C ATOM 1964 CD PRO B 15 -11.891 -5.050 14.686 1.00 0.00 C ATOM 0 HA PRO B 15 -12.974 -2.043 15.323 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -11.944 -3.358 17.543 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -13.444 -3.885 16.808 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -10.668 -5.000 16.454 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -12.181 -5.860 16.656 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -11.043 -5.536 14.204 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -12.782 -5.610 14.403 1.00 0.00 H new TER 1972 PRO B 15