USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Set 2.1: A 80 CYS SG : rot -147:sc= -0.12 USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 42 CYS SG : rot -19:sc= -1.2 USER MOD Set 3.2: A 66 ASN : amide:sc= -0.575 K(o=-1.8,f=-1.1) USER MOD Set 4.1: A 30 ASN : amide:sc= -0.582 K(o=-0.58,f=0.52) USER MOD Set 4.2: A 34 SER OG : rot -100:sc= 0.00156 USER MOD Set 5.1: A 33 SER OG : rot 36:sc= 1.23 USER MOD Set 5.2: A 36 SER OG : rot -42:sc= 2.22 USER MOD Set 6.1: A 23 TYR OH : rot -120:sc= -3.13 USER MOD Set 6.2: A 46 HIS : no HD1:sc= -3.01! C(o=-8.9!,f=-9.5!) USER MOD Set 6.3: A 47 ASN : amide:sc= -2.76! C(o=-8.9!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ 155:sc= 0.0206 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.077) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 77:sc= 1.15 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 25 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.91) USER MOD Single : A 29 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.8) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.9!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.396 USER MOD Single : A 73 SER OG : rot -159:sc= 1.67 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 77 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-4.3!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 89 MET CE :methyl 169:sc= -2.42 (180deg=-2.65!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 83:sc= 0.28 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc=-0.00366 X(o=-0.0037,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -119:sc= -0.282 (180deg=-1.73!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc=0.000335 USER MOD Single : A 120 LYS NZ :NH3+ -104:sc= -0.73 (180deg=-2.7!) USER MOD Single : A 121 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0511) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.456 -14.765 8.252 1.00 0.00 N ATOM 2 CA GLY A 1 -3.606 -15.766 7.634 1.00 0.00 C ATOM 3 C GLY A 1 -4.357 -17.041 7.305 1.00 0.00 C ATOM 4 O GLY A 1 -3.912 -18.137 7.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.874 -14.122 8.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.946 -14.222 7.513 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.158 -15.233 8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.173 -15.357 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.778 -15.998 8.303 1.00 0.00 H new ATOM 8 N SER A 2 -5.501 -16.899 6.643 1.00 0.00 N ATOM 9 CA SER A 2 -6.318 -18.048 6.273 1.00 0.00 C ATOM 10 C SER A 2 -6.123 -18.403 4.802 1.00 0.00 C ATOM 11 O SER A 2 -5.980 -17.522 3.953 1.00 0.00 O ATOM 12 CB SER A 2 -7.795 -17.760 6.548 1.00 0.00 C ATOM 13 OG SER A 2 -8.090 -17.881 7.929 1.00 0.00 O ATOM 0 H SER A 2 -5.883 -15.999 6.352 1.00 0.00 H new ATOM 0 HA SER A 2 -6.002 -18.897 6.879 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.042 -16.755 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.416 -18.452 5.978 1.00 0.00 H new ATOM 0 HG SER A 2 -9.040 -17.690 8.079 1.00 0.00 H new ATOM 19 N SER A 3 -6.119 -19.699 4.507 1.00 0.00 N ATOM 20 CA SER A 3 -5.938 -20.172 3.140 1.00 0.00 C ATOM 21 C SER A 3 -7.265 -20.627 2.542 1.00 0.00 C ATOM 22 O SER A 3 -7.751 -21.718 2.837 1.00 0.00 O ATOM 23 CB SER A 3 -4.929 -21.322 3.105 1.00 0.00 C ATOM 24 OG SER A 3 -3.601 -20.833 3.024 1.00 0.00 O ATOM 0 H SER A 3 -6.239 -20.440 5.197 1.00 0.00 H new ATOM 0 HA SER A 3 -5.556 -19.344 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.040 -21.935 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.136 -21.965 2.250 1.00 0.00 H new ATOM 0 HG SER A 3 -2.975 -21.587 3.005 1.00 0.00 H new ATOM 30 N GLY A 4 -7.849 -19.780 1.699 1.00 0.00 N ATOM 31 CA GLY A 4 -9.115 -20.111 1.072 1.00 0.00 C ATOM 32 C GLY A 4 -10.266 -19.294 1.623 1.00 0.00 C ATOM 33 O GLY A 4 -11.178 -19.836 2.248 1.00 0.00 O ATOM 0 H GLY A 4 -7.467 -18.870 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.039 -19.946 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.323 -21.171 1.218 1.00 0.00 H new ATOM 37 N SER A 5 -10.224 -17.986 1.394 1.00 0.00 N ATOM 38 CA SER A 5 -11.269 -17.091 1.878 1.00 0.00 C ATOM 39 C SER A 5 -11.647 -16.069 0.809 1.00 0.00 C ATOM 40 O SER A 5 -10.803 -15.629 0.029 1.00 0.00 O ATOM 41 CB SER A 5 -10.808 -16.372 3.147 1.00 0.00 C ATOM 42 OG SER A 5 -10.856 -17.236 4.269 1.00 0.00 O ATOM 0 H SER A 5 -9.478 -17.522 0.876 1.00 0.00 H new ATOM 0 HA SER A 5 -12.149 -17.692 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.791 -16.004 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.441 -15.503 3.326 1.00 0.00 H new ATOM 0 HG SER A 5 -10.555 -16.753 5.067 1.00 0.00 H new ATOM 48 N SER A 6 -12.923 -15.697 0.780 1.00 0.00 N ATOM 49 CA SER A 6 -13.415 -14.730 -0.194 1.00 0.00 C ATOM 50 C SER A 6 -13.785 -13.414 0.485 1.00 0.00 C ATOM 51 O SER A 6 -14.914 -12.940 0.371 1.00 0.00 O ATOM 52 CB SER A 6 -14.629 -15.294 -0.935 1.00 0.00 C ATOM 53 OG SER A 6 -14.343 -16.567 -1.487 1.00 0.00 O ATOM 0 H SER A 6 -13.634 -16.051 1.420 1.00 0.00 H new ATOM 0 HA SER A 6 -12.618 -14.536 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.473 -15.373 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.925 -14.608 -1.729 1.00 0.00 H new ATOM 0 HG SER A 6 -15.135 -16.907 -1.954 1.00 0.00 H new ATOM 59 N GLY A 7 -12.822 -12.829 1.192 1.00 0.00 N ATOM 60 CA GLY A 7 -13.065 -11.575 1.879 1.00 0.00 C ATOM 61 C GLY A 7 -12.380 -10.403 1.206 1.00 0.00 C ATOM 62 O GLY A 7 -11.996 -10.486 0.039 1.00 0.00 O ATOM 0 H GLY A 7 -11.879 -13.202 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.138 -11.389 1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.715 -11.654 2.908 1.00 0.00 H new ATOM 66 N ILE A 8 -12.227 -9.307 1.942 1.00 0.00 N ATOM 67 CA ILE A 8 -11.583 -8.113 1.408 1.00 0.00 C ATOM 68 C ILE A 8 -10.066 -8.206 1.527 1.00 0.00 C ATOM 69 O ILE A 8 -9.343 -7.288 1.137 1.00 0.00 O ATOM 70 CB ILE A 8 -12.067 -6.841 2.131 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.595 -6.818 2.200 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.543 -5.599 1.425 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.135 -6.026 3.370 1.00 0.00 C ATOM 0 H ILE A 8 -12.540 -9.221 2.909 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.859 -8.050 0.355 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.677 -6.848 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.986 -6.396 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.963 -7.842 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.893 -4.709 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.453 -5.614 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.907 -5.584 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.225 -6.053 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.773 -6.461 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.797 -4.992 3.297 1.00 0.00 H new ATOM 85 N LYS A 9 -9.588 -9.322 2.068 1.00 0.00 N ATOM 86 CA LYS A 9 -8.156 -9.538 2.237 1.00 0.00 C ATOM 87 C LYS A 9 -7.519 -10.008 0.932 1.00 0.00 C ATOM 88 O LYS A 9 -6.355 -9.716 0.660 1.00 0.00 O ATOM 89 CB LYS A 9 -7.902 -10.568 3.340 1.00 0.00 C ATOM 90 CG LYS A 9 -6.471 -10.571 3.851 1.00 0.00 C ATOM 91 CD LYS A 9 -5.574 -11.446 2.993 1.00 0.00 C ATOM 92 CE LYS A 9 -4.404 -11.999 3.793 1.00 0.00 C ATOM 93 NZ LYS A 9 -3.470 -12.783 2.939 1.00 0.00 N ATOM 0 H LYS A 9 -10.172 -10.091 2.397 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.702 -8.589 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.576 -10.370 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.146 -11.561 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.085 -9.552 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.452 -10.928 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.155 -12.270 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.198 -10.867 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.864 -11.177 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.780 -12.632 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.687 -13.143 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.979 -13.583 2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.091 -12.172 2.188 1.00 0.00 H new ATOM 107 N GLN A 10 -8.291 -10.734 0.130 1.00 0.00 N ATOM 108 CA GLN A 10 -7.801 -11.242 -1.146 1.00 0.00 C ATOM 109 C GLN A 10 -7.860 -10.161 -2.221 1.00 0.00 C ATOM 110 O GLN A 10 -6.851 -9.843 -2.850 1.00 0.00 O ATOM 111 CB GLN A 10 -8.620 -12.457 -1.583 1.00 0.00 C ATOM 112 CG GLN A 10 -8.036 -13.783 -1.122 1.00 0.00 C ATOM 113 CD GLN A 10 -6.769 -14.153 -1.868 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.819 -14.783 -2.925 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.624 -13.763 -1.320 1.00 0.00 N ATOM 0 H GLN A 10 -9.257 -10.983 0.341 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.761 -11.542 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.633 -12.361 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.696 -12.461 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.822 -13.730 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.777 -14.570 -1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.630 -13.243 -0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.739 -13.984 -1.776 1.00 0.00 H new ATOM 124 N MET A 11 -9.048 -9.602 -2.426 1.00 0.00 N ATOM 125 CA MET A 11 -9.237 -8.556 -3.425 1.00 0.00 C ATOM 126 C MET A 11 -8.167 -7.477 -3.292 1.00 0.00 C ATOM 127 O MET A 11 -7.704 -6.921 -4.289 1.00 0.00 O ATOM 128 CB MET A 11 -10.627 -7.932 -3.284 1.00 0.00 C ATOM 129 CG MET A 11 -10.669 -6.752 -2.327 1.00 0.00 C ATOM 130 SD MET A 11 -10.253 -5.192 -3.129 1.00 0.00 S ATOM 131 CE MET A 11 -11.796 -4.299 -2.954 1.00 0.00 C ATOM 0 H MET A 11 -9.893 -9.855 -1.915 1.00 0.00 H new ATOM 0 HA MET A 11 -9.149 -9.011 -4.412 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.971 -7.606 -4.265 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.325 -8.694 -2.939 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.665 -6.678 -1.892 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.975 -6.930 -1.506 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.697 -3.311 -3.403 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.593 -4.848 -3.456 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.038 -4.194 -1.896 1.00 0.00 H new ATOM 141 N LEU A 12 -7.777 -7.185 -2.056 1.00 0.00 N ATOM 142 CA LEU A 12 -6.761 -6.172 -1.792 1.00 0.00 C ATOM 143 C LEU A 12 -5.422 -6.572 -2.404 1.00 0.00 C ATOM 144 O LEU A 12 -4.736 -5.750 -3.013 1.00 0.00 O ATOM 145 CB LEU A 12 -6.603 -5.960 -0.286 1.00 0.00 C ATOM 146 CG LEU A 12 -7.711 -5.158 0.399 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.673 -5.373 1.904 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.583 -3.679 0.066 1.00 0.00 C ATOM 0 H LEU A 12 -8.149 -7.636 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.086 -5.239 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.540 -6.937 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.653 -5.455 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.672 -5.512 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.468 -4.795 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.815 -6.431 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.709 -5.048 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.379 -3.124 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.616 -3.311 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.662 -3.541 -1.012 1.00 0.00 H new ATOM 160 N LEU A 13 -5.058 -7.839 -2.240 1.00 0.00 N ATOM 161 CA LEU A 13 -3.802 -8.349 -2.778 1.00 0.00 C ATOM 162 C LEU A 13 -3.829 -8.366 -4.303 1.00 0.00 C ATOM 163 O LEU A 13 -2.866 -7.963 -4.956 1.00 0.00 O ATOM 164 CB LEU A 13 -3.531 -9.758 -2.247 1.00 0.00 C ATOM 165 CG LEU A 13 -2.205 -10.391 -2.670 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.106 -10.041 -1.680 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.352 -11.901 -2.794 1.00 0.00 C ATOM 0 H LEU A 13 -5.615 -8.532 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.001 -7.684 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.565 -9.727 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.342 -10.410 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.928 -9.990 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.170 -10.500 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.984 -8.959 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.375 -10.413 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.399 -12.336 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.653 -12.317 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.110 -12.133 -3.543 1.00 0.00 H new ATOM 179 N ASP A 14 -4.939 -8.832 -4.865 1.00 0.00 N ATOM 180 CA ASP A 14 -5.094 -8.898 -6.313 1.00 0.00 C ATOM 181 C ASP A 14 -5.146 -7.498 -6.918 1.00 0.00 C ATOM 182 O ASP A 14 -4.730 -7.289 -8.058 1.00 0.00 O ATOM 183 CB ASP A 14 -6.363 -9.671 -6.677 1.00 0.00 C ATOM 184 CG ASP A 14 -6.136 -11.169 -6.717 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.328 -11.669 -5.905 1.00 0.00 O ATOM 186 OD2 ASP A 14 -6.767 -11.843 -7.558 1.00 0.00 O ATOM 0 H ASP A 14 -5.745 -9.170 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.229 -9.420 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.144 -9.444 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.724 -9.335 -7.649 1.00 0.00 H new ATOM 191 N TRP A 15 -5.659 -6.545 -6.149 1.00 0.00 N ATOM 192 CA TRP A 15 -5.765 -5.165 -6.610 1.00 0.00 C ATOM 193 C TRP A 15 -4.406 -4.476 -6.584 1.00 0.00 C ATOM 194 O TRP A 15 -3.942 -3.960 -7.601 1.00 0.00 O ATOM 195 CB TRP A 15 -6.760 -4.392 -5.742 1.00 0.00 C ATOM 196 CG TRP A 15 -6.754 -2.916 -6.005 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.507 -2.244 -6.925 1.00 0.00 C ATOM 198 CD2 TRP A 15 -5.955 -1.931 -5.341 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.225 -0.901 -6.873 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.277 -0.682 -5.909 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.001 -1.981 -4.321 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.676 0.502 -5.490 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.407 -0.805 -3.907 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.746 0.423 -4.490 1.00 0.00 C ATOM 0 H TRP A 15 -6.008 -6.702 -5.204 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.124 -5.178 -7.639 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.763 -4.781 -5.917 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.528 -4.568 -4.692 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.220 -2.702 -7.595 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.652 -0.183 -7.458 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.733 -2.922 -3.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.935 1.450 -5.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.668 -0.832 -3.120 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.264 1.325 -4.143 1.00 0.00 H new ATOM 215 N CYS A 16 -3.771 -4.472 -5.417 1.00 0.00 N ATOM 216 CA CYS A 16 -2.464 -3.845 -5.259 1.00 0.00 C ATOM 217 C CYS A 16 -1.598 -4.075 -6.494 1.00 0.00 C ATOM 218 O CYS A 16 -1.051 -3.132 -7.065 1.00 0.00 O ATOM 219 CB CYS A 16 -1.759 -4.392 -4.017 1.00 0.00 C ATOM 220 SG CYS A 16 -2.556 -3.943 -2.458 1.00 0.00 S ATOM 0 H CYS A 16 -4.141 -4.896 -4.566 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.615 -2.772 -5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.711 -5.479 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.732 -4.028 -4.006 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.612 -4.681 -2.282 1.00 0.00 H new ATOM 226 N ARG A 17 -1.477 -5.335 -6.898 1.00 0.00 N ATOM 227 CA ARG A 17 -0.676 -5.690 -8.063 1.00 0.00 C ATOM 228 C ARG A 17 -1.123 -4.903 -9.291 1.00 0.00 C ATOM 229 O ARG A 17 -0.336 -4.176 -9.896 1.00 0.00 O ATOM 230 CB ARG A 17 -0.778 -7.191 -8.341 1.00 0.00 C ATOM 231 CG ARG A 17 -0.450 -8.057 -7.135 1.00 0.00 C ATOM 232 CD ARG A 17 -1.121 -9.419 -7.229 1.00 0.00 C ATOM 233 NE ARG A 17 -0.349 -10.457 -6.552 1.00 0.00 N ATOM 234 CZ ARG A 17 0.761 -10.990 -7.050 1.00 0.00 C ATOM 235 NH1 ARG A 17 1.227 -10.585 -8.223 1.00 0.00 N ATOM 236 NH2 ARG A 17 1.408 -11.931 -6.373 1.00 0.00 N ATOM 0 H ARG A 17 -1.923 -6.127 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 17 0.362 -5.437 -7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.788 -7.422 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.102 -7.448 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.630 -8.186 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.774 -7.553 -6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.117 -9.363 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.249 -9.688 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.680 -10.791 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.733 -9.862 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.080 -10.996 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.053 -12.245 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.260 -12.340 -6.756 1.00 0.00 H new ATOM 250 N ALA A 18 -2.393 -5.054 -9.654 1.00 0.00 N ATOM 251 CA ALA A 18 -2.945 -4.357 -10.809 1.00 0.00 C ATOM 252 C ALA A 18 -2.404 -2.934 -10.902 1.00 0.00 C ATOM 253 O ALA A 18 -1.941 -2.502 -11.958 1.00 0.00 O ATOM 254 CB ALA A 18 -4.465 -4.342 -10.739 1.00 0.00 C ATOM 0 H ALA A 18 -3.058 -5.653 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.638 -4.894 -11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.864 -3.818 -11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.839 -5.366 -10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.782 -3.831 -9.830 1.00 0.00 H new ATOM 260 N LYS A 19 -2.466 -2.209 -9.790 1.00 0.00 N ATOM 261 CA LYS A 19 -1.982 -0.834 -9.745 1.00 0.00 C ATOM 262 C LYS A 19 -0.459 -0.791 -9.821 1.00 0.00 C ATOM 263 O LYS A 19 0.121 0.167 -10.334 1.00 0.00 O ATOM 264 CB LYS A 19 -2.459 -0.146 -8.464 1.00 0.00 C ATOM 265 CG LYS A 19 -3.970 -0.037 -8.358 1.00 0.00 C ATOM 266 CD LYS A 19 -4.520 1.021 -9.299 1.00 0.00 C ATOM 267 CE LYS A 19 -5.931 0.682 -9.754 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.713 1.904 -10.093 1.00 0.00 N ATOM 0 H LYS A 19 -2.847 -2.551 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.386 -0.304 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.082 -0.698 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.027 0.854 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.422 -1.001 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.247 0.207 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.521 1.990 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.868 1.111 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.885 0.027 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.444 0.129 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.669 1.631 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.779 2.517 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.238 2.418 -10.862 1.00 0.00 H new ATOM 282 N THR A 20 0.185 -1.836 -9.310 1.00 0.00 N ATOM 283 CA THR A 20 1.640 -1.917 -9.321 1.00 0.00 C ATOM 284 C THR A 20 2.139 -2.669 -10.549 1.00 0.00 C ATOM 285 O THR A 20 3.297 -3.083 -10.607 1.00 0.00 O ATOM 286 CB THR A 20 2.173 -2.613 -8.054 1.00 0.00 C ATOM 287 OG1 THR A 20 1.334 -2.305 -6.936 1.00 0.00 O ATOM 288 CG2 THR A 20 3.601 -2.179 -7.759 1.00 0.00 C ATOM 0 H THR A 20 -0.279 -2.638 -8.883 1.00 0.00 H new ATOM 0 HA THR A 20 2.014 -0.894 -9.349 1.00 0.00 H new ATOM 0 HB THR A 20 2.166 -3.689 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.582 -2.933 -6.908 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.956 -2.683 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.242 -2.442 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.629 -1.100 -7.605 1.00 0.00 H new ATOM 296 N ARG A 21 1.259 -2.842 -11.530 1.00 0.00 N ATOM 297 CA ARG A 21 1.612 -3.545 -12.757 1.00 0.00 C ATOM 298 C ARG A 21 2.336 -2.616 -13.727 1.00 0.00 C ATOM 299 O ARG A 21 1.716 -1.779 -14.382 1.00 0.00 O ATOM 300 CB ARG A 21 0.357 -4.115 -13.422 1.00 0.00 C ATOM 301 CG ARG A 21 -0.089 -5.447 -12.839 1.00 0.00 C ATOM 302 CD ARG A 21 -1.056 -6.165 -13.768 1.00 0.00 C ATOM 303 NE ARG A 21 -1.604 -7.374 -13.158 1.00 0.00 N ATOM 304 CZ ARG A 21 -0.988 -8.550 -13.177 1.00 0.00 C ATOM 305 NH1 ARG A 21 0.191 -8.676 -13.770 1.00 0.00 N ATOM 306 NH2 ARG A 21 -1.550 -9.604 -12.600 1.00 0.00 N ATOM 0 H ARG A 21 0.297 -2.505 -11.499 1.00 0.00 H new ATOM 0 HA ARG A 21 2.282 -4.364 -12.497 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.455 -3.395 -13.324 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.546 -4.239 -14.488 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.782 -6.077 -12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.566 -5.281 -11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.871 -5.492 -14.034 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.543 -6.426 -14.694 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.509 -7.311 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.628 -7.868 -14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.661 -9.581 -13.783 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.456 -9.511 -12.141 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.076 -10.507 -12.615 1.00 0.00 H new ATOM 320 N GLY A 22 3.654 -2.770 -13.813 1.00 0.00 N ATOM 321 CA GLY A 22 4.442 -1.938 -14.704 1.00 0.00 C ATOM 322 C GLY A 22 5.843 -1.693 -14.181 1.00 0.00 C ATOM 323 O GLY A 22 6.780 -1.507 -14.959 1.00 0.00 O ATOM 0 H GLY A 22 4.190 -3.456 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.501 -2.414 -15.683 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.938 -0.982 -14.844 1.00 0.00 H new ATOM 327 N TYR A 23 5.988 -1.690 -12.861 1.00 0.00 N ATOM 328 CA TYR A 23 7.284 -1.461 -12.234 1.00 0.00 C ATOM 329 C TYR A 23 8.150 -2.716 -12.299 1.00 0.00 C ATOM 330 O TYR A 23 7.693 -3.776 -12.726 1.00 0.00 O ATOM 331 CB TYR A 23 7.102 -1.029 -10.779 1.00 0.00 C ATOM 332 CG TYR A 23 6.185 0.162 -10.611 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.806 -0.001 -10.558 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.697 1.449 -10.506 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.964 1.084 -10.406 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.862 2.539 -10.352 1.00 0.00 C ATOM 337 CZ TYR A 23 4.497 2.351 -10.303 1.00 0.00 C ATOM 338 OH TYR A 23 3.662 3.435 -10.151 1.00 0.00 O ATOM 0 H TYR A 23 5.223 -1.844 -12.204 1.00 0.00 H new ATOM 0 HA TYR A 23 7.788 -0.664 -12.782 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.704 -1.867 -10.207 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.077 -0.789 -10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.385 -0.993 -10.637 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.766 1.600 -10.545 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.894 0.940 -10.368 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.276 3.533 -10.270 1.00 0.00 H new ATOM 0 HH TYR A 23 3.791 4.055 -10.899 1.00 0.00 H new ATOM 348 N GLU A 24 9.402 -2.586 -11.872 1.00 0.00 N ATOM 349 CA GLU A 24 10.332 -3.709 -11.881 1.00 0.00 C ATOM 350 C GLU A 24 10.809 -4.033 -10.468 1.00 0.00 C ATOM 351 O GLU A 24 10.601 -3.254 -9.537 1.00 0.00 O ATOM 352 CB GLU A 24 11.532 -3.399 -12.778 1.00 0.00 C ATOM 353 CG GLU A 24 12.398 -4.611 -13.077 1.00 0.00 C ATOM 354 CD GLU A 24 13.184 -4.462 -14.365 1.00 0.00 C ATOM 355 OE1 GLU A 24 12.739 -3.698 -15.247 1.00 0.00 O ATOM 356 OE2 GLU A 24 14.244 -5.110 -14.492 1.00 0.00 O ATOM 0 H GLU A 24 9.795 -1.715 -11.516 1.00 0.00 H new ATOM 0 HA GLU A 24 9.807 -4.579 -12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.173 -2.979 -13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.144 -2.635 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.090 -4.772 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.767 -5.497 -13.141 1.00 0.00 H new ATOM 363 N HIS A 25 11.449 -5.188 -10.316 1.00 0.00 N ATOM 364 CA HIS A 25 11.956 -5.615 -9.017 1.00 0.00 C ATOM 365 C HIS A 25 10.874 -5.501 -7.947 1.00 0.00 C ATOM 366 O HIS A 25 11.148 -5.112 -6.811 1.00 0.00 O ATOM 367 CB HIS A 25 13.172 -4.778 -8.620 1.00 0.00 C ATOM 368 CG HIS A 25 14.181 -4.630 -9.717 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.668 -5.697 -10.441 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.793 -3.529 -10.213 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.538 -5.260 -11.334 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.631 -3.948 -11.217 1.00 0.00 N ATOM 0 H HIS A 25 11.629 -5.844 -11.076 1.00 0.00 H new ATOM 0 HA HIS A 25 12.254 -6.660 -9.097 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.836 -3.788 -8.310 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.652 -5.237 -7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.649 -2.511 -9.881 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.081 -5.872 -12.040 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.229 -3.344 -11.781 1.00 0.00 H new ATOM 381 N VAL A 26 9.643 -5.842 -8.318 1.00 0.00 N ATOM 382 CA VAL A 26 8.520 -5.778 -7.390 1.00 0.00 C ATOM 383 C VAL A 26 7.609 -6.990 -7.546 1.00 0.00 C ATOM 384 O VAL A 26 7.399 -7.483 -8.654 1.00 0.00 O ATOM 385 CB VAL A 26 7.692 -4.496 -7.600 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.541 -4.436 -6.606 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.576 -3.265 -7.479 1.00 0.00 C ATOM 0 H VAL A 26 9.399 -6.165 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 26 8.940 -5.770 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 26 7.272 -4.516 -8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.967 -3.524 -6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.894 -5.302 -6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.937 -4.439 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.974 -2.369 -7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.026 -3.237 -6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.362 -3.306 -8.233 1.00 0.00 H new ATOM 397 N ASP A 27 7.071 -7.466 -6.429 1.00 0.00 N ATOM 398 CA ASP A 27 6.180 -8.620 -6.441 1.00 0.00 C ATOM 399 C ASP A 27 5.369 -8.695 -5.150 1.00 0.00 C ATOM 400 O ASP A 27 5.914 -8.958 -4.078 1.00 0.00 O ATOM 401 CB ASP A 27 6.983 -9.909 -6.628 1.00 0.00 C ATOM 402 CG ASP A 27 8.284 -9.899 -5.850 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.257 -9.282 -6.331 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.329 -10.508 -4.761 1.00 0.00 O ATOM 0 H ASP A 27 7.236 -7.071 -5.503 1.00 0.00 H new ATOM 0 HA ASP A 27 5.490 -8.506 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.379 -10.759 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.198 -10.049 -7.687 1.00 0.00 H new ATOM 409 N ILE A 28 4.066 -8.460 -5.262 1.00 0.00 N ATOM 410 CA ILE A 28 3.181 -8.500 -4.105 1.00 0.00 C ATOM 411 C ILE A 28 2.503 -9.860 -3.979 1.00 0.00 C ATOM 412 O ILE A 28 1.498 -10.126 -4.638 1.00 0.00 O ATOM 413 CB ILE A 28 2.101 -7.405 -4.183 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.749 -6.031 -4.364 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.233 -7.427 -2.934 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.822 -5.001 -4.971 1.00 0.00 C ATOM 0 H ILE A 28 3.600 -8.240 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 28 3.802 -8.323 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 28 1.466 -7.603 -5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.095 -5.671 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.629 -6.134 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.475 -6.647 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.747 -8.399 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.854 -7.251 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.348 -4.051 -5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.496 -5.340 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.953 -4.869 -4.326 1.00 0.00 H new ATOM 428 N GLN A 29 3.058 -10.716 -3.127 1.00 0.00 N ATOM 429 CA GLN A 29 2.505 -12.048 -2.913 1.00 0.00 C ATOM 430 C GLN A 29 1.768 -12.125 -1.580 1.00 0.00 C ATOM 431 O GLN A 29 0.891 -12.966 -1.393 1.00 0.00 O ATOM 432 CB GLN A 29 3.617 -13.097 -2.956 1.00 0.00 C ATOM 433 CG GLN A 29 4.588 -12.909 -4.110 1.00 0.00 C ATOM 434 CD GLN A 29 4.042 -13.433 -5.424 1.00 0.00 C ATOM 435 OE1 GLN A 29 3.395 -14.479 -5.467 1.00 0.00 O ATOM 436 NE2 GLN A 29 4.301 -12.706 -6.505 1.00 0.00 N ATOM 0 H GLN A 29 3.890 -10.511 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 29 1.792 -12.251 -3.713 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.171 -13.066 -2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.168 -14.088 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.821 -11.849 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.523 -13.420 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.842 -11.845 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.959 -13.009 -7.417 1.00 0.00 H new ATOM 445 N ASN A 30 2.131 -11.240 -0.657 1.00 0.00 N ATOM 446 CA ASN A 30 1.504 -11.208 0.659 1.00 0.00 C ATOM 447 C ASN A 30 1.994 -10.009 1.466 1.00 0.00 C ATOM 448 O ASN A 30 3.061 -9.459 1.194 1.00 0.00 O ATOM 449 CB ASN A 30 1.799 -12.503 1.419 1.00 0.00 C ATOM 450 CG ASN A 30 3.148 -13.093 1.053 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.244 -14.258 0.667 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.198 -12.289 1.174 1.00 0.00 N ATOM 0 H ASN A 30 2.856 -10.536 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 30 0.427 -11.114 0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.770 -12.307 2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.017 -13.232 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.131 -12.630 0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.071 -11.330 1.498 1.00 0.00 H new ATOM 459 N PHE A 31 1.207 -9.611 2.460 1.00 0.00 N ATOM 460 CA PHE A 31 1.560 -8.477 3.307 1.00 0.00 C ATOM 461 C PHE A 31 2.466 -8.916 4.453 1.00 0.00 C ATOM 462 O PHE A 31 2.353 -8.419 5.573 1.00 0.00 O ATOM 463 CB PHE A 31 0.297 -7.817 3.864 1.00 0.00 C ATOM 464 CG PHE A 31 -0.798 -7.663 2.847 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.748 -6.649 1.905 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.876 -8.533 2.834 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.754 -6.505 0.967 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.884 -8.394 1.899 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.824 -7.378 0.965 1.00 0.00 C ATOM 0 H PHE A 31 0.321 -10.056 2.699 1.00 0.00 H new ATOM 0 HA PHE A 31 2.101 -7.754 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.075 -8.410 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.555 -6.835 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.086 -5.963 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.929 -9.329 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.703 -5.711 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.719 -9.080 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.612 -7.267 0.235 1.00 0.00 H new ATOM 479 N SER A 32 3.365 -9.851 4.164 1.00 0.00 N ATOM 480 CA SER A 32 4.289 -10.361 5.171 1.00 0.00 C ATOM 481 C SER A 32 5.655 -9.694 5.042 1.00 0.00 C ATOM 482 O SER A 32 6.087 -8.962 5.933 1.00 0.00 O ATOM 483 CB SER A 32 4.435 -11.878 5.038 1.00 0.00 C ATOM 484 OG SER A 32 4.805 -12.465 6.273 1.00 0.00 O ATOM 0 H SER A 32 3.474 -10.271 3.241 1.00 0.00 H new ATOM 0 HA SER A 32 3.881 -10.127 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.494 -12.308 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.186 -12.109 4.282 1.00 0.00 H new ATOM 0 HG SER A 32 4.890 -13.435 6.162 1.00 0.00 H new ATOM 490 N SER A 33 6.331 -9.954 3.928 1.00 0.00 N ATOM 491 CA SER A 33 7.650 -9.383 3.683 1.00 0.00 C ATOM 492 C SER A 33 7.701 -8.697 2.320 1.00 0.00 C ATOM 493 O SER A 33 8.432 -7.726 2.129 1.00 0.00 O ATOM 494 CB SER A 33 8.722 -10.471 3.759 1.00 0.00 C ATOM 495 OG SER A 33 9.951 -10.015 3.221 1.00 0.00 O ATOM 0 H SER A 33 5.987 -10.557 3.180 1.00 0.00 H new ATOM 0 HA SER A 33 7.844 -8.637 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.865 -10.773 4.797 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.388 -11.354 3.214 1.00 0.00 H new ATOM 0 HG SER A 33 10.069 -9.066 3.434 1.00 0.00 H new ATOM 501 N SER A 34 6.918 -9.211 1.377 1.00 0.00 N ATOM 502 CA SER A 34 6.876 -8.652 0.031 1.00 0.00 C ATOM 503 C SER A 34 7.016 -7.134 0.069 1.00 0.00 C ATOM 504 O SER A 34 7.615 -6.532 -0.823 1.00 0.00 O ATOM 505 CB SER A 34 5.568 -9.038 -0.663 1.00 0.00 C ATOM 506 OG SER A 34 5.438 -10.446 -0.761 1.00 0.00 O ATOM 0 H SER A 34 6.304 -10.013 1.520 1.00 0.00 H new ATOM 0 HA SER A 34 7.713 -9.062 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.724 -8.630 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.537 -8.597 -1.659 1.00 0.00 H new ATOM 0 HG SER A 34 5.687 -10.736 -1.663 1.00 0.00 H new ATOM 512 N TRP A 35 6.459 -6.520 1.107 1.00 0.00 N ATOM 513 CA TRP A 35 6.521 -5.071 1.262 1.00 0.00 C ATOM 514 C TRP A 35 7.762 -4.661 2.047 1.00 0.00 C ATOM 515 O TRP A 35 8.389 -3.644 1.749 1.00 0.00 O ATOM 516 CB TRP A 35 5.264 -4.559 1.965 1.00 0.00 C ATOM 517 CG TRP A 35 3.993 -4.987 1.297 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.482 -6.252 1.240 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.073 -4.149 0.589 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.301 -6.252 0.539 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.027 -4.974 0.130 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.029 -2.783 0.299 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.953 -4.475 -0.603 1.00 0.00 C ATOM 524 CZ3 TRP A 35 1.963 -2.289 -0.428 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.936 -3.133 -0.872 1.00 0.00 C ATOM 0 H TRP A 35 5.959 -7.003 1.854 1.00 0.00 H new ATOM 0 HA TRP A 35 6.579 -4.626 0.269 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.262 -4.915 2.995 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.296 -3.470 2.004 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.940 -7.125 1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.722 -7.071 0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.815 -2.124 0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.161 -5.124 -0.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.920 -1.235 -0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.115 -2.717 -1.437 1.00 0.00 H new ATOM 536 N SER A 36 8.111 -5.457 3.053 1.00 0.00 N ATOM 537 CA SER A 36 9.275 -5.174 3.883 1.00 0.00 C ATOM 538 C SER A 36 10.409 -4.586 3.048 1.00 0.00 C ATOM 539 O SER A 36 11.179 -3.753 3.526 1.00 0.00 O ATOM 540 CB SER A 36 9.751 -6.448 4.584 1.00 0.00 C ATOM 541 OG SER A 36 10.388 -7.324 3.670 1.00 0.00 O ATOM 0 H SER A 36 7.604 -6.303 3.312 1.00 0.00 H new ATOM 0 HA SER A 36 8.983 -4.441 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.442 -6.189 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.902 -6.953 5.045 1.00 0.00 H new ATOM 0 HG SER A 36 9.885 -7.341 2.829 1.00 0.00 H new ATOM 547 N ASP A 37 10.503 -5.025 1.798 1.00 0.00 N ATOM 548 CA ASP A 37 11.541 -4.542 0.894 1.00 0.00 C ATOM 549 C ASP A 37 11.570 -3.018 0.865 1.00 0.00 C ATOM 550 O ASP A 37 12.593 -2.401 1.158 1.00 0.00 O ATOM 551 CB ASP A 37 11.312 -5.088 -0.516 1.00 0.00 C ATOM 552 CG ASP A 37 11.653 -6.560 -0.630 1.00 0.00 C ATOM 553 OD1 ASP A 37 11.439 -7.297 0.355 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.134 -6.976 -1.705 1.00 0.00 O ATOM 0 H ASP A 37 9.873 -5.714 1.387 1.00 0.00 H new ATOM 0 HA ASP A 37 12.504 -4.898 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.269 -4.937 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.917 -4.522 -1.224 1.00 0.00 H new ATOM 559 N GLY A 38 10.440 -2.415 0.508 1.00 0.00 N ATOM 560 CA GLY A 38 10.358 -0.968 0.446 1.00 0.00 C ATOM 561 C GLY A 38 9.754 -0.477 -0.855 1.00 0.00 C ATOM 562 O GLY A 38 8.610 -0.024 -0.883 1.00 0.00 O ATOM 0 H GLY A 38 9.580 -2.904 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.759 -0.605 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.356 -0.545 0.562 1.00 0.00 H new ATOM 566 N MET A 39 10.525 -0.565 -1.934 1.00 0.00 N ATOM 567 CA MET A 39 10.058 -0.125 -3.243 1.00 0.00 C ATOM 568 C MET A 39 8.580 -0.451 -3.432 1.00 0.00 C ATOM 569 O MET A 39 7.808 0.379 -3.911 1.00 0.00 O ATOM 570 CB MET A 39 10.884 -0.784 -4.350 1.00 0.00 C ATOM 571 CG MET A 39 12.368 -0.465 -4.273 1.00 0.00 C ATOM 572 SD MET A 39 13.282 -1.062 -5.708 1.00 0.00 S ATOM 573 CE MET A 39 13.868 0.481 -6.403 1.00 0.00 C ATOM 0 H MET A 39 11.475 -0.937 -1.928 1.00 0.00 H new ATOM 0 HA MET A 39 10.182 0.956 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.750 -1.864 -4.298 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.501 -0.462 -5.318 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.500 0.614 -4.186 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.785 -0.911 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.453 0.277 -7.300 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.016 1.111 -6.660 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.492 0.995 -5.672 1.00 0.00 H new ATOM 583 N ALA A 40 8.194 -1.665 -3.054 1.00 0.00 N ATOM 584 CA ALA A 40 6.808 -2.100 -3.180 1.00 0.00 C ATOM 585 C ALA A 40 5.846 -0.939 -2.952 1.00 0.00 C ATOM 586 O ALA A 40 5.150 -0.508 -3.871 1.00 0.00 O ATOM 587 CB ALA A 40 6.518 -3.228 -2.202 1.00 0.00 C ATOM 0 H ALA A 40 8.821 -2.365 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 40 6.659 -2.467 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.480 -3.543 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.176 -4.071 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.690 -2.880 -1.184 1.00 0.00 H new ATOM 593 N PHE A 41 5.811 -0.438 -1.722 1.00 0.00 N ATOM 594 CA PHE A 41 4.932 0.672 -1.373 1.00 0.00 C ATOM 595 C PHE A 41 5.123 1.840 -2.336 1.00 0.00 C ATOM 596 O PHE A 41 4.155 2.390 -2.861 1.00 0.00 O ATOM 597 CB PHE A 41 5.199 1.130 0.062 1.00 0.00 C ATOM 598 CG PHE A 41 4.448 0.337 1.094 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.081 0.497 1.249 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.110 -0.566 1.909 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.387 -0.231 2.197 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.422 -1.297 2.859 1.00 0.00 C ATOM 603 CZ PHE A 41 3.058 -1.129 3.004 1.00 0.00 C ATOM 0 H PHE A 41 6.381 -0.783 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 41 3.902 0.325 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.267 1.057 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.928 2.182 0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.551 1.199 0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.176 -0.701 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.321 -0.098 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.950 -1.999 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.518 -1.698 3.746 1.00 0.00 H new ATOM 613 N CYS A 42 6.378 2.214 -2.561 1.00 0.00 N ATOM 614 CA CYS A 42 6.697 3.318 -3.459 1.00 0.00 C ATOM 615 C CYS A 42 5.984 3.154 -4.797 1.00 0.00 C ATOM 616 O CYS A 42 5.334 4.079 -5.283 1.00 0.00 O ATOM 617 CB CYS A 42 8.208 3.402 -3.680 1.00 0.00 C ATOM 618 SG CYS A 42 9.166 3.607 -2.160 1.00 0.00 S ATOM 0 H CYS A 42 7.191 1.769 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 42 6.353 4.242 -2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.541 2.497 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.421 4.238 -4.347 1.00 0.00 H new ATOM 0 HG CYS A 42 8.388 4.035 -1.211 1.00 0.00 H new ATOM 624 N ALA A 43 6.111 1.970 -5.389 1.00 0.00 N ATOM 625 CA ALA A 43 5.479 1.685 -6.670 1.00 0.00 C ATOM 626 C ALA A 43 3.963 1.825 -6.578 1.00 0.00 C ATOM 627 O ALA A 43 3.332 2.437 -7.441 1.00 0.00 O ATOM 628 CB ALA A 43 5.854 0.289 -7.145 1.00 0.00 C ATOM 0 H ALA A 43 6.646 1.193 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 43 5.841 2.413 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.375 0.090 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.936 0.222 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.521 -0.446 -6.413 1.00 0.00 H new ATOM 634 N LEU A 44 3.384 1.254 -5.527 1.00 0.00 N ATOM 635 CA LEU A 44 1.941 1.315 -5.322 1.00 0.00 C ATOM 636 C LEU A 44 1.454 2.760 -5.301 1.00 0.00 C ATOM 637 O LEU A 44 0.447 3.096 -5.924 1.00 0.00 O ATOM 638 CB LEU A 44 1.562 0.618 -4.014 1.00 0.00 C ATOM 639 CG LEU A 44 0.078 0.641 -3.647 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.683 -0.417 -4.432 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.104 0.431 -2.151 1.00 0.00 C ATOM 0 H LEU A 44 3.891 0.744 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 44 1.459 0.801 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.885 -0.421 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.124 1.081 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.326 1.619 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.737 -0.386 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.580 -0.222 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.278 -1.402 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.166 0.450 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.316 -0.533 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.407 1.225 -1.607 1.00 0.00 H new ATOM 653 N VAL A 45 2.178 3.612 -4.582 1.00 0.00 N ATOM 654 CA VAL A 45 1.822 5.023 -4.482 1.00 0.00 C ATOM 655 C VAL A 45 2.141 5.763 -5.776 1.00 0.00 C ATOM 656 O VAL A 45 1.249 6.298 -6.434 1.00 0.00 O ATOM 657 CB VAL A 45 2.560 5.707 -3.316 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.219 7.188 -3.263 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.222 5.026 -1.999 1.00 0.00 C ATOM 0 H VAL A 45 3.014 3.350 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 45 0.749 5.066 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 45 3.633 5.612 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.750 7.654 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.517 7.664 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.145 7.309 -3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.752 5.522 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.148 5.088 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.523 3.979 -2.043 1.00 0.00 H new ATOM 669 N HIS A 46 3.421 5.789 -6.136 1.00 0.00 N ATOM 670 CA HIS A 46 3.859 6.464 -7.353 1.00 0.00 C ATOM 671 C HIS A 46 2.840 6.278 -8.473 1.00 0.00 C ATOM 672 O HIS A 46 2.522 7.219 -9.198 1.00 0.00 O ATOM 673 CB HIS A 46 5.222 5.931 -7.794 1.00 0.00 C ATOM 674 CG HIS A 46 5.882 6.770 -8.844 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.778 6.507 -10.193 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.658 7.874 -8.736 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.462 7.412 -10.870 1.00 0.00 C ATOM 678 NE2 HIS A 46 7.005 8.254 -10.009 1.00 0.00 N ATOM 0 H HIS A 46 4.172 5.351 -5.603 1.00 0.00 H new ATOM 0 HA HIS A 46 3.946 7.529 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.877 5.869 -6.925 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.101 4.917 -8.174 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.950 8.365 -7.819 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.561 7.456 -11.945 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.587 9.056 -10.251 1.00 0.00 H new ATOM 687 N ASN A 47 2.333 5.057 -8.609 1.00 0.00 N ATOM 688 CA ASN A 47 1.352 4.747 -9.643 1.00 0.00 C ATOM 689 C ASN A 47 0.216 5.766 -9.637 1.00 0.00 C ATOM 690 O ASN A 47 -0.177 6.280 -10.685 1.00 0.00 O ATOM 691 CB ASN A 47 0.789 3.339 -9.436 1.00 0.00 C ATOM 692 CG ASN A 47 0.146 2.784 -10.692 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.790 2.671 -11.735 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.131 2.433 -10.597 1.00 0.00 N ATOM 0 H ASN A 47 2.585 4.266 -8.016 1.00 0.00 H new ATOM 0 HA ASN A 47 1.853 4.792 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.591 2.673 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.053 3.359 -8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.617 2.052 -11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.626 2.544 -9.712 1.00 0.00 H new ATOM 701 N PHE A 48 -0.307 6.055 -8.450 1.00 0.00 N ATOM 702 CA PHE A 48 -1.397 7.012 -8.307 1.00 0.00 C ATOM 703 C PHE A 48 -0.908 8.436 -8.556 1.00 0.00 C ATOM 704 O PHE A 48 -1.465 9.161 -9.380 1.00 0.00 O ATOM 705 CB PHE A 48 -2.015 6.910 -6.911 1.00 0.00 C ATOM 706 CG PHE A 48 -2.051 5.508 -6.373 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.590 4.477 -7.125 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.545 5.222 -5.115 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.625 3.186 -6.631 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.578 3.933 -4.616 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.117 2.914 -5.376 1.00 0.00 C ATOM 0 H PHE A 48 0.007 5.640 -7.573 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.156 6.772 -9.051 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.449 7.540 -6.225 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.030 7.305 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.987 4.684 -8.108 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.120 6.015 -4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.049 2.391 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.183 3.723 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.141 1.906 -4.990 1.00 0.00 H new ATOM 721 N PHE A 49 0.139 8.829 -7.838 1.00 0.00 N ATOM 722 CA PHE A 49 0.704 10.166 -7.978 1.00 0.00 C ATOM 723 C PHE A 49 2.166 10.096 -8.407 1.00 0.00 C ATOM 724 O PHE A 49 3.082 10.110 -7.584 1.00 0.00 O ATOM 725 CB PHE A 49 0.583 10.935 -6.661 1.00 0.00 C ATOM 726 CG PHE A 49 -0.753 10.775 -5.994 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.809 11.612 -6.319 1.00 0.00 C ATOM 728 CD2 PHE A 49 -0.954 9.788 -5.043 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.039 11.468 -5.706 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.182 9.638 -4.427 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.226 10.479 -4.760 1.00 0.00 C ATOM 0 H PHE A 49 0.613 8.240 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 49 0.142 10.692 -8.750 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.363 10.597 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.761 11.994 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.669 12.385 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.141 9.128 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.853 12.128 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.325 8.865 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.187 10.363 -4.281 1.00 0.00 H new ATOM 741 N PRO A 50 2.393 10.017 -9.727 1.00 0.00 N ATOM 742 CA PRO A 50 3.741 9.943 -10.296 1.00 0.00 C ATOM 743 C PRO A 50 4.508 11.253 -10.143 1.00 0.00 C ATOM 744 O PRO A 50 5.735 11.257 -10.050 1.00 0.00 O ATOM 745 CB PRO A 50 3.487 9.642 -11.775 1.00 0.00 C ATOM 746 CG PRO A 50 2.123 10.179 -12.041 1.00 0.00 C ATOM 747 CD PRO A 50 1.349 9.996 -10.765 1.00 0.00 C ATOM 0 HA PRO A 50 4.354 9.194 -9.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.232 10.121 -12.410 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.537 8.572 -11.976 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.166 11.231 -12.324 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.648 9.647 -12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.621 10.794 -10.619 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.797 9.056 -10.761 1.00 0.00 H new ATOM 755 N GLU A 51 3.776 12.362 -10.118 1.00 0.00 N ATOM 756 CA GLU A 51 4.388 13.678 -9.977 1.00 0.00 C ATOM 757 C GLU A 51 4.790 13.938 -8.528 1.00 0.00 C ATOM 758 O GLU A 51 5.853 14.497 -8.259 1.00 0.00 O ATOM 759 CB GLU A 51 3.425 14.767 -10.454 1.00 0.00 C ATOM 760 CG GLU A 51 2.108 14.789 -9.697 1.00 0.00 C ATOM 761 CD GLU A 51 1.267 16.007 -10.026 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.829 17.121 -10.078 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.046 15.846 -10.231 1.00 0.00 O ATOM 0 H GLU A 51 2.759 12.376 -10.194 1.00 0.00 H new ATOM 0 HA GLU A 51 5.286 13.701 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.909 15.738 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.222 14.622 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.543 13.887 -9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.308 14.769 -8.626 1.00 0.00 H new ATOM 770 N ALA A 52 3.932 13.530 -7.600 1.00 0.00 N ATOM 771 CA ALA A 52 4.198 13.717 -6.179 1.00 0.00 C ATOM 772 C ALA A 52 5.662 13.444 -5.853 1.00 0.00 C ATOM 773 O ALA A 52 6.274 14.153 -5.054 1.00 0.00 O ATOM 774 CB ALA A 52 3.294 12.816 -5.350 1.00 0.00 C ATOM 0 H ALA A 52 3.046 13.068 -7.806 1.00 0.00 H new ATOM 0 HA ALA A 52 3.986 14.756 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.503 12.966 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.251 13.061 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.479 11.774 -5.612 1.00 0.00 H new ATOM 780 N PHE A 53 6.219 12.411 -6.477 1.00 0.00 N ATOM 781 CA PHE A 53 7.612 12.043 -6.252 1.00 0.00 C ATOM 782 C PHE A 53 8.133 11.164 -7.385 1.00 0.00 C ATOM 783 O PHE A 53 7.354 10.578 -8.138 1.00 0.00 O ATOM 784 CB PHE A 53 7.760 11.312 -4.916 1.00 0.00 C ATOM 785 CG PHE A 53 7.131 9.948 -4.906 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.779 9.792 -5.168 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.892 8.822 -4.637 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.198 8.538 -5.159 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.316 7.565 -4.627 1.00 0.00 C ATOM 790 CZ PHE A 53 5.968 7.423 -4.890 1.00 0.00 C ATOM 0 H PHE A 53 5.727 11.814 -7.142 1.00 0.00 H new ATOM 0 HA PHE A 53 8.203 12.959 -6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.820 11.216 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.310 11.917 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.173 10.660 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.947 8.927 -4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.143 8.430 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.920 6.695 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.516 6.442 -4.885 1.00 0.00 H new ATOM 800 N ASP A 54 9.453 11.079 -7.501 1.00 0.00 N ATOM 801 CA ASP A 54 10.079 10.272 -8.542 1.00 0.00 C ATOM 802 C ASP A 54 10.430 8.883 -8.016 1.00 0.00 C ATOM 803 O ASP A 54 11.300 8.736 -7.157 1.00 0.00 O ATOM 804 CB ASP A 54 11.337 10.965 -9.067 1.00 0.00 C ATOM 805 CG ASP A 54 11.026 12.265 -9.783 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.711 12.217 -10.990 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.098 13.330 -9.135 1.00 0.00 O ATOM 0 H ASP A 54 10.111 11.559 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 54 9.366 10.162 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.012 11.164 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.860 10.294 -9.749 1.00 0.00 H new ATOM 812 N TYR A 55 9.747 7.869 -8.536 1.00 0.00 N ATOM 813 CA TYR A 55 9.984 6.493 -8.116 1.00 0.00 C ATOM 814 C TYR A 55 11.365 6.019 -8.559 1.00 0.00 C ATOM 815 O TYR A 55 12.149 5.517 -7.755 1.00 0.00 O ATOM 816 CB TYR A 55 8.907 5.571 -8.688 1.00 0.00 C ATOM 817 CG TYR A 55 9.279 4.106 -8.644 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.032 3.340 -7.511 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.877 3.487 -9.735 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.371 2.001 -7.466 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.218 2.149 -9.700 1.00 0.00 C ATOM 822 CZ TYR A 55 9.963 1.410 -8.563 1.00 0.00 C ATOM 823 OH TYR A 55 10.302 0.077 -8.523 1.00 0.00 O ATOM 0 H TYR A 55 9.025 7.974 -9.249 1.00 0.00 H new ATOM 0 HA TYR A 55 9.940 6.459 -7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.981 5.719 -8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.708 5.856 -9.721 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.567 3.799 -6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.079 4.062 -10.626 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.174 1.420 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.681 1.684 -10.558 1.00 0.00 H new ATOM 0 HH TYR A 55 10.708 -0.183 -9.376 1.00 0.00 H new ATOM 833 N GLY A 56 11.654 6.182 -9.846 1.00 0.00 N ATOM 834 CA GLY A 56 12.940 5.766 -10.376 1.00 0.00 C ATOM 835 C GLY A 56 14.103 6.423 -9.658 1.00 0.00 C ATOM 836 O GLY A 56 15.224 5.916 -9.688 1.00 0.00 O ATOM 0 H GLY A 56 11.021 6.595 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.031 4.683 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.988 6.009 -11.437 1.00 0.00 H new ATOM 840 N GLN A 57 13.835 7.553 -9.012 1.00 0.00 N ATOM 841 CA GLN A 57 14.869 8.280 -8.286 1.00 0.00 C ATOM 842 C GLN A 57 15.275 7.531 -7.021 1.00 0.00 C ATOM 843 O GLN A 57 16.442 7.542 -6.628 1.00 0.00 O ATOM 844 CB GLN A 57 14.379 9.684 -7.927 1.00 0.00 C ATOM 845 CG GLN A 57 14.488 10.678 -9.071 1.00 0.00 C ATOM 846 CD GLN A 57 15.916 10.871 -9.543 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.838 10.988 -8.736 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.106 10.904 -10.857 1.00 0.00 N ATOM 0 H GLN A 57 12.911 7.984 -8.977 1.00 0.00 H new ATOM 0 HA GLN A 57 15.742 8.362 -8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.339 9.626 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.955 10.055 -7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.877 10.334 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.082 11.638 -8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.312 10.803 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.046 11.030 -11.233 1.00 0.00 H new ATOM 857 N LEU A 58 14.305 6.883 -6.387 1.00 0.00 N ATOM 858 CA LEU A 58 14.560 6.128 -5.165 1.00 0.00 C ATOM 859 C LEU A 58 15.439 4.914 -5.449 1.00 0.00 C ATOM 860 O LEU A 58 15.443 4.384 -6.560 1.00 0.00 O ATOM 861 CB LEU A 58 13.241 5.680 -4.533 1.00 0.00 C ATOM 862 CG LEU A 58 12.237 6.789 -4.219 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.843 6.210 -4.034 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.665 7.561 -2.980 1.00 0.00 C ATOM 0 H LEU A 58 13.334 6.865 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 58 15.086 6.780 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.764 4.965 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.466 5.149 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 58 12.212 7.480 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.142 7.014 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.535 5.703 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.852 5.497 -3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.938 8.346 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.719 6.882 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.644 8.008 -3.150 1.00 0.00 H new ATOM 876 N SER A 59 16.182 4.478 -4.436 1.00 0.00 N ATOM 877 CA SER A 59 17.067 3.327 -4.577 1.00 0.00 C ATOM 878 C SER A 59 16.546 2.140 -3.772 1.00 0.00 C ATOM 879 O SER A 59 15.872 2.295 -2.754 1.00 0.00 O ATOM 880 CB SER A 59 18.482 3.686 -4.120 1.00 0.00 C ATOM 881 OG SER A 59 19.223 4.276 -5.174 1.00 0.00 O ATOM 0 H SER A 59 16.189 4.904 -3.509 1.00 0.00 H new ATOM 0 HA SER A 59 17.093 3.047 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.432 4.375 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.993 2.789 -3.769 1.00 0.00 H new ATOM 0 HG SER A 59 20.123 4.498 -4.857 1.00 0.00 H new ATOM 887 N PRO A 60 16.865 0.924 -4.240 1.00 0.00 N ATOM 888 CA PRO A 60 16.441 -0.314 -3.579 1.00 0.00 C ATOM 889 C PRO A 60 17.149 -0.533 -2.247 1.00 0.00 C ATOM 890 O PRO A 60 16.536 -0.969 -1.273 1.00 0.00 O ATOM 891 CB PRO A 60 16.836 -1.403 -4.580 1.00 0.00 C ATOM 892 CG PRO A 60 17.955 -0.809 -5.364 1.00 0.00 C ATOM 893 CD PRO A 60 17.665 0.664 -5.448 1.00 0.00 C ATOM 0 HA PRO A 60 15.378 -0.303 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.150 -2.314 -4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.999 -1.670 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.913 -0.991 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 60 18.014 -1.253 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.581 1.254 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 60 17.115 0.914 -6.355 1.00 0.00 H new ATOM 901 N GLN A 61 18.442 -0.227 -2.212 1.00 0.00 N ATOM 902 CA GLN A 61 19.233 -0.390 -0.998 1.00 0.00 C ATOM 903 C GLN A 61 18.662 0.448 0.141 1.00 0.00 C ATOM 904 O GLN A 61 18.833 0.118 1.313 1.00 0.00 O ATOM 905 CB GLN A 61 20.689 0.002 -1.256 1.00 0.00 C ATOM 906 CG GLN A 61 21.540 -1.137 -1.793 1.00 0.00 C ATOM 907 CD GLN A 61 20.821 -1.956 -2.847 1.00 0.00 C ATOM 908 OE1 GLN A 61 19.934 -2.751 -2.533 1.00 0.00 O ATOM 909 NE2 GLN A 61 21.200 -1.766 -4.105 1.00 0.00 N ATOM 0 H GLN A 61 18.964 0.135 -3.010 1.00 0.00 H new ATOM 0 HA GLN A 61 19.193 -1.440 -0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.714 0.829 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 61 21.128 0.366 -0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 61 22.458 -0.731 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.831 -1.788 -0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 61 21.939 -1.097 -4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.752 -2.289 -4.857 1.00 0.00 H new ATOM 918 N ASN A 62 17.983 1.534 -0.214 1.00 0.00 N ATOM 919 CA ASN A 62 17.387 2.421 0.779 1.00 0.00 C ATOM 920 C ASN A 62 16.071 1.849 1.300 1.00 0.00 C ATOM 921 O ASN A 62 15.019 2.475 1.175 1.00 0.00 O ATOM 922 CB ASN A 62 17.151 3.808 0.179 1.00 0.00 C ATOM 923 CG ASN A 62 18.402 4.666 0.195 1.00 0.00 C ATOM 924 OD1 ASN A 62 19.315 4.435 0.987 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.447 5.661 -0.682 1.00 0.00 N ATOM 0 H ASN A 62 17.832 1.821 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 62 18.081 2.508 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.800 3.702 -0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.361 4.312 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.263 6.272 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.666 5.815 -1.320 1.00 0.00 H new ATOM 932 N ARG A 63 16.140 0.657 1.883 1.00 0.00 N ATOM 933 CA ARG A 63 14.955 0.000 2.422 1.00 0.00 C ATOM 934 C ARG A 63 14.111 0.980 3.231 1.00 0.00 C ATOM 935 O ARG A 63 12.885 0.990 3.130 1.00 0.00 O ATOM 936 CB ARG A 63 15.358 -1.187 3.298 1.00 0.00 C ATOM 937 CG ARG A 63 16.042 -2.307 2.529 1.00 0.00 C ATOM 938 CD ARG A 63 16.970 -3.111 3.425 1.00 0.00 C ATOM 939 NE ARG A 63 17.225 -4.446 2.892 1.00 0.00 N ATOM 940 CZ ARG A 63 18.065 -5.312 3.448 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.728 -4.984 4.548 1.00 0.00 N ATOM 942 NH2 ARG A 63 18.243 -6.509 2.903 1.00 0.00 N ATOM 0 H ARG A 63 17.004 0.126 1.994 1.00 0.00 H new ATOM 0 HA ARG A 63 14.358 -0.362 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.026 -0.837 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.469 -1.584 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.289 -2.967 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.610 -1.886 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.915 -2.579 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.531 -3.195 4.419 1.00 0.00 H new ATOM 0 HE ARG A 63 16.731 -4.729 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.594 -4.065 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.372 -5.651 4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.735 -6.765 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.888 -7.173 3.331 1.00 0.00 H new ATOM 956 N ARG A 64 14.778 1.803 4.035 1.00 0.00 N ATOM 957 CA ARG A 64 14.089 2.786 4.863 1.00 0.00 C ATOM 958 C ARG A 64 13.413 3.847 4.000 1.00 0.00 C ATOM 959 O ARG A 64 12.186 3.913 3.928 1.00 0.00 O ATOM 960 CB ARG A 64 15.073 3.449 5.829 1.00 0.00 C ATOM 961 CG ARG A 64 14.401 4.126 7.013 1.00 0.00 C ATOM 962 CD ARG A 64 15.406 4.465 8.103 1.00 0.00 C ATOM 963 NE ARG A 64 14.979 5.610 8.903 1.00 0.00 N ATOM 964 CZ ARG A 64 15.079 6.870 8.493 1.00 0.00 C ATOM 965 NH1 ARG A 64 15.588 7.144 7.300 1.00 0.00 N ATOM 966 NH2 ARG A 64 14.670 7.858 9.278 1.00 0.00 N ATOM 0 H ARG A 64 15.794 1.808 4.130 1.00 0.00 H new ATOM 0 HA ARG A 64 13.321 2.267 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.769 2.696 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.662 4.188 5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.903 5.036 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.629 3.471 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.543 3.600 8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.374 4.680 7.650 1.00 0.00 H new ATOM 0 HE ARG A 64 14.583 5.433 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.904 6.387 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.664 8.112 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.279 7.651 10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.747 8.825 8.963 1.00 0.00 H new ATOM 980 N GLN A 65 14.223 4.675 3.347 1.00 0.00 N ATOM 981 CA GLN A 65 13.702 5.734 2.490 1.00 0.00 C ATOM 982 C GLN A 65 12.436 5.279 1.771 1.00 0.00 C ATOM 983 O GLN A 65 11.441 6.001 1.730 1.00 0.00 O ATOM 984 CB GLN A 65 14.759 6.157 1.468 1.00 0.00 C ATOM 985 CG GLN A 65 14.539 7.553 0.908 1.00 0.00 C ATOM 986 CD GLN A 65 15.835 8.240 0.525 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.378 9.037 1.290 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.338 7.933 -0.665 1.00 0.00 N ATOM 0 H GLN A 65 15.241 4.633 3.395 1.00 0.00 H new ATOM 0 HA GLN A 65 13.453 6.588 3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.743 6.113 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.764 5.441 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.893 7.491 0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.016 8.159 1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.854 7.267 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.208 8.363 -0.977 1.00 0.00 H new ATOM 997 N ASN A 66 12.482 4.077 1.206 1.00 0.00 N ATOM 998 CA ASN A 66 11.339 3.526 0.487 1.00 0.00 C ATOM 999 C ASN A 66 10.056 3.694 1.296 1.00 0.00 C ATOM 1000 O ASN A 66 9.028 4.120 0.769 1.00 0.00 O ATOM 1001 CB ASN A 66 11.570 2.046 0.177 1.00 0.00 C ATOM 1002 CG ASN A 66 12.525 1.841 -0.984 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.412 2.498 -2.018 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.471 0.924 -0.816 1.00 0.00 N ATOM 0 H ASN A 66 13.298 3.466 1.232 1.00 0.00 H new ATOM 0 HA ASN A 66 11.232 4.073 -0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.967 1.550 1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.616 1.572 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.142 0.741 -1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.527 0.403 0.059 1.00 0.00 H new ATOM 1011 N PHE A 67 10.124 3.356 2.579 1.00 0.00 N ATOM 1012 CA PHE A 67 8.969 3.468 3.462 1.00 0.00 C ATOM 1013 C PHE A 67 8.523 4.922 3.592 1.00 0.00 C ATOM 1014 O PHE A 67 7.430 5.288 3.161 1.00 0.00 O ATOM 1015 CB PHE A 67 9.298 2.898 4.843 1.00 0.00 C ATOM 1016 CG PHE A 67 9.129 1.408 4.932 1.00 0.00 C ATOM 1017 CD1 PHE A 67 7.890 0.853 5.212 1.00 0.00 C ATOM 1018 CD2 PHE A 67 10.209 0.562 4.735 1.00 0.00 C ATOM 1019 CE1 PHE A 67 7.732 -0.517 5.294 1.00 0.00 C ATOM 1020 CE2 PHE A 67 10.056 -0.809 4.816 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.816 -1.349 5.097 1.00 0.00 C ATOM 0 H PHE A 67 10.967 3.002 3.031 1.00 0.00 H new ATOM 0 HA PHE A 67 8.152 2.893 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.326 3.155 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.657 3.373 5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.039 1.499 5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.181 0.979 4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.761 -0.937 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.905 -1.458 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.695 -2.420 5.162 1.00 0.00 H new ATOM 1031 N GLU A 68 9.378 5.745 4.191 1.00 0.00 N ATOM 1032 CA GLU A 68 9.072 7.158 4.379 1.00 0.00 C ATOM 1033 C GLU A 68 8.468 7.758 3.113 1.00 0.00 C ATOM 1034 O GLU A 68 7.303 8.155 3.096 1.00 0.00 O ATOM 1035 CB GLU A 68 10.336 7.929 4.769 1.00 0.00 C ATOM 1036 CG GLU A 68 11.148 7.255 5.862 1.00 0.00 C ATOM 1037 CD GLU A 68 11.937 8.244 6.697 1.00 0.00 C ATOM 1038 OE1 GLU A 68 12.691 9.047 6.110 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.799 8.214 7.938 1.00 0.00 O ATOM 0 H GLU A 68 10.287 5.458 4.554 1.00 0.00 H new ATOM 0 HA GLU A 68 8.341 7.241 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.963 8.052 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.054 8.928 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.479 6.690 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.834 6.538 5.410 1.00 0.00 H new ATOM 1046 N VAL A 69 9.269 7.820 2.054 1.00 0.00 N ATOM 1047 CA VAL A 69 8.814 8.371 0.783 1.00 0.00 C ATOM 1048 C VAL A 69 7.381 7.945 0.481 1.00 0.00 C ATOM 1049 O VAL A 69 6.523 8.778 0.192 1.00 0.00 O ATOM 1050 CB VAL A 69 9.724 7.929 -0.378 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.194 8.455 -1.703 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.152 8.397 -0.143 1.00 0.00 C ATOM 0 H VAL A 69 10.236 7.496 2.051 1.00 0.00 H new ATOM 0 HA VAL A 69 8.856 9.456 0.875 1.00 0.00 H new ATOM 0 HB VAL A 69 9.725 6.840 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.850 8.132 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.190 8.066 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.161 9.544 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.781 8.076 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.171 9.485 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.528 7.966 0.785 1.00 0.00 H new ATOM 1062 N ALA A 70 7.130 6.642 0.551 1.00 0.00 N ATOM 1063 CA ALA A 70 5.800 6.105 0.288 1.00 0.00 C ATOM 1064 C ALA A 70 4.744 6.820 1.125 1.00 0.00 C ATOM 1065 O ALA A 70 3.695 7.213 0.615 1.00 0.00 O ATOM 1066 CB ALA A 70 5.771 4.609 0.563 1.00 0.00 C ATOM 0 H ALA A 70 7.830 5.939 0.788 1.00 0.00 H new ATOM 0 HA ALA A 70 5.568 6.274 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.772 4.222 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.491 4.106 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.029 4.426 1.606 1.00 0.00 H new ATOM 1072 N PHE A 71 5.028 6.984 2.413 1.00 0.00 N ATOM 1073 CA PHE A 71 4.102 7.649 3.321 1.00 0.00 C ATOM 1074 C PHE A 71 3.961 9.127 2.967 1.00 0.00 C ATOM 1075 O PHE A 71 2.868 9.600 2.656 1.00 0.00 O ATOM 1076 CB PHE A 71 4.578 7.503 4.767 1.00 0.00 C ATOM 1077 CG PHE A 71 4.526 6.090 5.276 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.324 5.403 5.328 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.678 5.450 5.701 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.272 4.103 5.795 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.633 4.150 6.168 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.428 3.476 6.217 1.00 0.00 C ATOM 0 H PHE A 71 5.892 6.665 2.851 1.00 0.00 H new ATOM 0 HA PHE A 71 3.127 7.173 3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.601 7.871 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.964 8.135 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.417 5.889 5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.622 5.973 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.329 3.578 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.539 3.661 6.494 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.390 2.461 6.584 1.00 0.00 H new ATOM 1092 N SER A 72 5.075 9.850 3.018 1.00 0.00 N ATOM 1093 CA SER A 72 5.076 11.275 2.708 1.00 0.00 C ATOM 1094 C SER A 72 4.332 11.548 1.404 1.00 0.00 C ATOM 1095 O SER A 72 3.348 12.288 1.381 1.00 0.00 O ATOM 1096 CB SER A 72 6.511 11.796 2.608 1.00 0.00 C ATOM 1097 OG SER A 72 7.235 11.105 1.605 1.00 0.00 O ATOM 0 H SER A 72 5.988 9.473 3.271 1.00 0.00 H new ATOM 0 HA SER A 72 4.563 11.797 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.499 12.862 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.012 11.678 3.569 1.00 0.00 H new ATOM 0 HG SER A 72 8.148 11.457 1.560 1.00 0.00 H new ATOM 1103 N SER A 73 4.809 10.944 0.321 1.00 0.00 N ATOM 1104 CA SER A 73 4.193 11.124 -0.989 1.00 0.00 C ATOM 1105 C SER A 73 2.673 11.174 -0.871 1.00 0.00 C ATOM 1106 O SER A 73 2.016 11.990 -1.517 1.00 0.00 O ATOM 1107 CB SER A 73 4.606 9.991 -1.930 1.00 0.00 C ATOM 1108 OG SER A 73 5.955 10.135 -2.341 1.00 0.00 O ATOM 0 H SER A 73 5.620 10.326 0.324 1.00 0.00 H new ATOM 0 HA SER A 73 4.540 12.072 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.476 9.032 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.955 9.985 -2.804 1.00 0.00 H new ATOM 0 HG SER A 73 6.102 9.626 -3.165 1.00 0.00 H new ATOM 1114 N ALA A 74 2.120 10.294 -0.042 1.00 0.00 N ATOM 1115 CA ALA A 74 0.678 10.238 0.163 1.00 0.00 C ATOM 1116 C ALA A 74 0.194 11.426 0.988 1.00 0.00 C ATOM 1117 O ALA A 74 -0.708 12.153 0.575 1.00 0.00 O ATOM 1118 CB ALA A 74 0.291 8.931 0.838 1.00 0.00 C ATOM 0 H ALA A 74 2.649 9.610 0.499 1.00 0.00 H new ATOM 0 HA ALA A 74 0.195 10.286 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.789 8.903 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.594 8.093 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.790 8.859 1.804 1.00 0.00 H new ATOM 1124 N GLU A 75 0.801 11.615 2.156 1.00 0.00 N ATOM 1125 CA GLU A 75 0.429 12.714 3.039 1.00 0.00 C ATOM 1126 C GLU A 75 0.448 14.044 2.291 1.00 0.00 C ATOM 1127 O GLU A 75 -0.203 15.007 2.696 1.00 0.00 O ATOM 1128 CB GLU A 75 1.378 12.777 4.238 1.00 0.00 C ATOM 1129 CG GLU A 75 1.054 13.897 5.213 1.00 0.00 C ATOM 1130 CD GLU A 75 1.945 13.879 6.439 1.00 0.00 C ATOM 1131 OE1 GLU A 75 1.775 12.974 7.283 1.00 0.00 O ATOM 1132 OE2 GLU A 75 2.813 14.770 6.556 1.00 0.00 O ATOM 0 H GLU A 75 1.551 11.022 2.512 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.585 12.532 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.345 11.825 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.398 12.905 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.159 14.856 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.013 13.813 5.524 1.00 0.00 H new ATOM 1139 N THR A 76 1.201 14.089 1.196 1.00 0.00 N ATOM 1140 CA THR A 76 1.307 15.300 0.391 1.00 0.00 C ATOM 1141 C THR A 76 -0.065 15.916 0.141 1.00 0.00 C ATOM 1142 O THR A 76 -0.391 16.972 0.685 1.00 0.00 O ATOM 1143 CB THR A 76 1.984 15.017 -0.963 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.232 14.345 -0.755 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.220 16.309 -1.731 1.00 0.00 C ATOM 0 H THR A 76 1.746 13.301 0.846 1.00 0.00 H new ATOM 0 HA THR A 76 1.920 16.002 0.956 1.00 0.00 H new ATOM 0 HB THR A 76 1.322 14.380 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.656 14.167 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.699 16.084 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.266 16.804 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.864 16.967 -1.148 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.866 15.250 -0.684 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.205 15.732 -1.005 1.00 0.00 C ATOM 1155 C HIS A 77 -3.269 14.789 -0.452 1.00 0.00 C ATOM 1156 O HIS A 77 -4.427 15.172 -0.289 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.369 15.875 -2.518 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.542 14.904 -3.305 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.843 15.258 -4.439 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.304 13.586 -3.113 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.211 14.199 -4.912 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.474 13.171 -4.126 1.00 0.00 N ATOM 0 H HIS A 77 -0.612 14.375 -1.143 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.334 16.709 -0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.419 15.738 -2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.099 16.890 -2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.694 12.974 -2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.415 14.178 -5.792 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.119 12.223 -4.251 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.868 13.555 -0.166 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.787 12.558 0.370 1.00 0.00 C ATOM 1173 C ALA A 78 -3.977 12.737 1.872 1.00 0.00 C ATOM 1174 O ALA A 78 -5.039 12.431 2.414 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.282 11.156 0.063 1.00 0.00 C ATOM 0 H ALA A 78 -1.913 13.221 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.755 12.697 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.978 10.422 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.205 11.025 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.301 11.015 0.516 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.942 13.235 2.539 1.00 0.00 N ATOM 1182 CA ASP A 79 -2.995 13.455 3.980 1.00 0.00 C ATOM 1183 C ASP A 79 -3.487 12.206 4.703 1.00 0.00 C ATOM 1184 O ASP A 79 -4.434 12.263 5.488 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.908 14.639 4.302 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.498 15.357 5.573 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.306 15.711 5.697 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.368 15.567 6.443 1.00 0.00 O ATOM 0 H ASP A 79 -2.056 13.494 2.105 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.986 13.679 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.893 15.343 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.934 14.286 4.402 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.839 11.078 4.432 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.212 9.813 5.056 1.00 0.00 C ATOM 1195 C CYS A 80 -2.683 9.734 6.484 1.00 0.00 C ATOM 1196 O CYS A 80 -1.560 10.144 6.780 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.677 8.639 4.235 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.752 7.047 5.089 1.00 0.00 S ATOM 0 H CYS A 80 -2.053 11.014 3.785 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.300 9.759 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.245 8.569 3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.642 8.843 3.960 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.747 6.309 4.721 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.510 9.197 7.393 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.147 9.053 8.806 1.00 0.00 C ATOM 1206 C PRO A 81 -2.066 7.999 9.023 1.00 0.00 C ATOM 1207 O PRO A 81 -2.365 6.843 9.318 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.458 8.618 9.466 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.232 7.962 8.375 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.863 8.688 7.111 1.00 0.00 C ATOM 0 HA PRO A 81 -2.732 9.974 9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.276 7.930 10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.997 9.472 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.984 6.903 8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.304 8.027 8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.870 8.022 6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.560 9.498 6.894 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.810 8.407 8.874 1.00 0.00 N ATOM 1219 CA GLN A 82 0.315 7.497 9.053 1.00 0.00 C ATOM 1220 C GLN A 82 0.094 6.590 10.260 1.00 0.00 C ATOM 1221 O GLN A 82 0.268 7.010 11.405 1.00 0.00 O ATOM 1222 CB GLN A 82 1.614 8.286 9.224 1.00 0.00 C ATOM 1223 CG GLN A 82 1.973 9.135 8.015 1.00 0.00 C ATOM 1224 CD GLN A 82 3.212 9.979 8.243 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.638 10.183 9.380 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.797 10.476 7.159 1.00 0.00 N ATOM 0 H GLN A 82 -0.546 9.361 8.630 1.00 0.00 H new ATOM 0 HA GLN A 82 0.392 6.874 8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.525 8.932 10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.429 7.590 9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.133 8.486 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.134 9.786 7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.410 10.281 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.634 11.052 7.250 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.290 5.346 9.997 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.534 4.380 11.061 1.00 0.00 C ATOM 1237 C LEU A 83 0.733 3.596 11.388 1.00 0.00 C ATOM 1238 O LEU A 83 1.177 3.563 12.536 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.652 3.417 10.656 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.908 4.058 10.063 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.877 2.989 9.583 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.576 4.966 11.085 1.00 0.00 C ATOM 0 H LEU A 83 -0.439 4.983 9.056 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.839 4.929 11.952 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.251 2.711 9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.943 2.840 11.534 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.614 4.664 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.764 3.464 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.396 2.379 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.166 2.356 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.468 5.414 10.646 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.857 4.382 11.962 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.883 5.753 11.380 1.00 0.00 H new ATOM 1254 N LEU A 84 1.313 2.969 10.371 1.00 0.00 N ATOM 1255 CA LEU A 84 2.532 2.187 10.548 1.00 0.00 C ATOM 1256 C LEU A 84 3.711 3.090 10.897 1.00 0.00 C ATOM 1257 O LEU A 84 3.745 4.259 10.514 1.00 0.00 O ATOM 1258 CB LEU A 84 2.841 1.392 9.279 1.00 0.00 C ATOM 1259 CG LEU A 84 1.674 0.609 8.677 1.00 0.00 C ATOM 1260 CD1 LEU A 84 1.857 0.449 7.175 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.543 -0.751 9.347 1.00 0.00 C ATOM 0 H LEU A 84 0.959 2.987 9.415 1.00 0.00 H new ATOM 0 HA LEU A 84 2.373 1.493 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.217 2.083 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.647 0.692 9.500 1.00 0.00 H new ATOM 0 HG LEU A 84 0.756 1.169 8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.017 -0.111 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.902 1.432 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.784 -0.090 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.707 -1.295 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.462 -1.318 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.365 -0.615 10.414 1.00 0.00 H new ATOM 1273 N ASP A 85 4.677 2.538 11.623 1.00 0.00 N ATOM 1274 CA ASP A 85 5.860 3.292 12.021 1.00 0.00 C ATOM 1275 C ASP A 85 7.105 2.760 11.318 1.00 0.00 C ATOM 1276 O ASP A 85 7.629 1.703 11.673 1.00 0.00 O ATOM 1277 CB ASP A 85 6.048 3.224 13.537 1.00 0.00 C ATOM 1278 CG ASP A 85 6.738 4.456 14.090 1.00 0.00 C ATOM 1279 OD1 ASP A 85 7.940 4.642 13.806 1.00 0.00 O ATOM 1280 OD2 ASP A 85 6.075 5.235 14.807 1.00 0.00 O ATOM 0 H ASP A 85 4.664 1.571 11.948 1.00 0.00 H new ATOM 0 HA ASP A 85 5.714 4.331 11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.076 3.110 14.016 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.633 2.339 13.788 1.00 0.00 H new ATOM 1285 N THR A 86 7.574 3.498 10.317 1.00 0.00 N ATOM 1286 CA THR A 86 8.756 3.100 9.562 1.00 0.00 C ATOM 1287 C THR A 86 9.888 2.682 10.493 1.00 0.00 C ATOM 1288 O THR A 86 10.509 1.638 10.299 1.00 0.00 O ATOM 1289 CB THR A 86 9.249 4.239 8.650 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.143 4.827 7.958 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.267 3.724 7.643 1.00 0.00 C ATOM 0 H THR A 86 7.153 4.375 10.010 1.00 0.00 H new ATOM 0 HA THR A 86 8.466 2.250 8.944 1.00 0.00 H new ATOM 0 HB THR A 86 9.728 4.993 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.465 5.551 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.601 4.546 7.010 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.122 3.304 8.173 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.809 2.953 7.024 1.00 0.00 H new ATOM 1299 N GLU A 87 10.151 3.505 11.504 1.00 0.00 N ATOM 1300 CA GLU A 87 11.209 3.219 12.465 1.00 0.00 C ATOM 1301 C GLU A 87 11.089 1.795 13.000 1.00 0.00 C ATOM 1302 O GLU A 87 12.078 1.067 13.085 1.00 0.00 O ATOM 1303 CB GLU A 87 11.160 4.217 13.624 1.00 0.00 C ATOM 1304 CG GLU A 87 11.834 5.543 13.314 1.00 0.00 C ATOM 1305 CD GLU A 87 13.337 5.412 13.165 1.00 0.00 C ATOM 1306 OE1 GLU A 87 13.967 4.780 14.040 1.00 0.00 O ATOM 1307 OE2 GLU A 87 13.884 5.942 12.176 1.00 0.00 O ATOM 0 H GLU A 87 9.646 4.374 11.678 1.00 0.00 H new ATOM 0 HA GLU A 87 12.166 3.316 11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.119 4.401 13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.638 3.771 14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.416 5.953 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.612 6.254 14.110 1.00 0.00 H new ATOM 1314 N ASP A 88 9.871 1.405 13.358 1.00 0.00 N ATOM 1315 CA ASP A 88 9.619 0.069 13.885 1.00 0.00 C ATOM 1316 C ASP A 88 9.586 -0.961 12.760 1.00 0.00 C ATOM 1317 O ASP A 88 9.953 -2.119 12.954 1.00 0.00 O ATOM 1318 CB ASP A 88 8.300 0.041 14.658 1.00 0.00 C ATOM 1319 CG ASP A 88 8.358 0.861 15.931 1.00 0.00 C ATOM 1320 OD1 ASP A 88 8.484 2.100 15.834 1.00 0.00 O ATOM 1321 OD2 ASP A 88 8.277 0.265 17.026 1.00 0.00 O ATOM 0 H ASP A 88 9.042 1.996 13.293 1.00 0.00 H new ATOM 0 HA ASP A 88 10.433 -0.186 14.564 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.501 0.420 14.021 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.049 -0.991 14.905 1.00 0.00 H new ATOM 1326 N MET A 89 9.141 -0.530 11.584 1.00 0.00 N ATOM 1327 CA MET A 89 9.060 -1.415 10.427 1.00 0.00 C ATOM 1328 C MET A 89 10.443 -1.925 10.034 1.00 0.00 C ATOM 1329 O MET A 89 10.641 -3.124 9.836 1.00 0.00 O ATOM 1330 CB MET A 89 8.417 -0.687 9.245 1.00 0.00 C ATOM 1331 CG MET A 89 6.923 -0.461 9.412 1.00 0.00 C ATOM 1332 SD MET A 89 6.111 -0.018 7.863 1.00 0.00 S ATOM 1333 CE MET A 89 5.405 -1.594 7.388 1.00 0.00 C ATOM 0 H MET A 89 8.831 0.426 11.407 1.00 0.00 H new ATOM 0 HA MET A 89 8.441 -2.270 10.698 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.909 0.276 9.110 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.590 -1.263 8.336 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.465 -1.365 9.812 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.758 0.330 10.143 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.712 -1.447 6.560 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.201 -2.271 7.079 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.871 -2.024 8.236 1.00 0.00 H new ATOM 1343 N VAL A 90 11.397 -1.006 9.922 1.00 0.00 N ATOM 1344 CA VAL A 90 12.762 -1.363 9.553 1.00 0.00 C ATOM 1345 C VAL A 90 13.296 -2.484 10.438 1.00 0.00 C ATOM 1346 O VAL A 90 13.507 -3.605 9.977 1.00 0.00 O ATOM 1347 CB VAL A 90 13.706 -0.150 9.654 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.157 -0.604 9.686 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.464 0.811 8.500 1.00 0.00 C ATOM 0 H VAL A 90 11.250 -0.009 10.081 1.00 0.00 H new ATOM 0 HA VAL A 90 12.731 -1.705 8.518 1.00 0.00 H new ATOM 0 HB VAL A 90 13.495 0.376 10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.809 0.266 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.317 -1.249 10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.386 -1.155 8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.139 1.662 8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.646 0.299 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.433 1.162 8.529 1.00 0.00 H new ATOM 1359 N ARG A 91 13.511 -2.172 11.712 1.00 0.00 N ATOM 1360 CA ARG A 91 14.021 -3.153 12.663 1.00 0.00 C ATOM 1361 C ARG A 91 13.176 -4.424 12.638 1.00 0.00 C ATOM 1362 O ARG A 91 13.707 -5.535 12.661 1.00 0.00 O ATOM 1363 CB ARG A 91 14.037 -2.566 14.075 1.00 0.00 C ATOM 1364 CG ARG A 91 12.723 -1.917 14.480 1.00 0.00 C ATOM 1365 CD ARG A 91 12.783 -1.375 15.899 1.00 0.00 C ATOM 1366 NE ARG A 91 13.823 -0.361 16.055 1.00 0.00 N ATOM 1367 CZ ARG A 91 14.176 0.156 17.226 1.00 0.00 C ATOM 1368 NH1 ARG A 91 13.576 -0.244 18.339 1.00 0.00 N ATOM 1369 NH2 ARG A 91 15.131 1.075 17.286 1.00 0.00 N ATOM 0 H ARG A 91 13.340 -1.248 12.109 1.00 0.00 H new ATOM 0 HA ARG A 91 15.040 -3.408 12.372 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.276 -3.357 14.786 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.834 -1.826 14.143 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.488 -1.107 13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.917 -2.646 14.402 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.817 -0.947 16.164 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.969 -2.195 16.593 1.00 0.00 H new ATOM 0 HE ARG A 91 14.305 -0.032 15.218 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.841 -0.950 18.297 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.849 0.155 19.237 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.595 1.385 16.432 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.401 1.472 18.186 1.00 0.00 H new ATOM 1383 N LEU A 92 11.860 -4.252 12.592 1.00 0.00 N ATOM 1384 CA LEU A 92 10.941 -5.385 12.565 1.00 0.00 C ATOM 1385 C LEU A 92 11.264 -6.321 11.405 1.00 0.00 C ATOM 1386 O LEU A 92 11.219 -5.921 10.241 1.00 0.00 O ATOM 1387 CB LEU A 92 9.497 -4.893 12.451 1.00 0.00 C ATOM 1388 CG LEU A 92 8.805 -4.533 13.766 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.489 -3.818 13.499 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.575 -5.780 14.607 1.00 0.00 C ATOM 0 H LEU A 92 11.405 -3.339 12.573 1.00 0.00 H new ATOM 0 HA LEU A 92 11.058 -5.938 13.497 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.483 -4.016 11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.909 -5.665 11.954 1.00 0.00 H new ATOM 0 HG LEU A 92 9.455 -3.858 14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.011 -3.570 14.447 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.679 -2.903 12.938 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.832 -4.468 12.921 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.082 -5.504 15.539 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.946 -6.479 14.056 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.533 -6.251 14.829 1.00 0.00 H new ATOM 1402 N ARG A 93 11.588 -7.568 11.730 1.00 0.00 N ATOM 1403 CA ARG A 93 11.917 -8.561 10.715 1.00 0.00 C ATOM 1404 C ARG A 93 10.990 -8.435 9.510 1.00 0.00 C ATOM 1405 O ARG A 93 11.415 -8.601 8.367 1.00 0.00 O ATOM 1406 CB ARG A 93 11.822 -9.971 11.300 1.00 0.00 C ATOM 1407 CG ARG A 93 12.984 -10.332 12.211 1.00 0.00 C ATOM 1408 CD ARG A 93 12.663 -11.546 13.069 1.00 0.00 C ATOM 1409 NE ARG A 93 13.797 -11.945 13.898 1.00 0.00 N ATOM 1410 CZ ARG A 93 13.680 -12.683 14.997 1.00 0.00 C ATOM 1411 NH1 ARG A 93 12.486 -13.099 15.396 1.00 0.00 N ATOM 1412 NH2 ARG A 93 14.759 -13.006 15.699 1.00 0.00 N ATOM 0 H ARG A 93 11.630 -7.915 12.688 1.00 0.00 H new ATOM 0 HA ARG A 93 12.940 -8.380 10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.891 -10.061 11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.774 -10.692 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.870 -10.534 11.609 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.221 -9.484 12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.808 -11.323 13.707 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.373 -12.378 12.427 1.00 0.00 H new ATOM 0 HE ARG A 93 14.730 -11.641 13.618 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.654 -12.853 14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.399 -13.665 16.240 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.679 -12.688 15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.668 -13.572 16.542 1.00 0.00 H new ATOM 1426 N GLU A 94 9.721 -8.141 9.774 1.00 0.00 N ATOM 1427 CA GLU A 94 8.733 -7.995 8.711 1.00 0.00 C ATOM 1428 C GLU A 94 7.418 -7.450 9.261 1.00 0.00 C ATOM 1429 O GLU A 94 7.002 -7.770 10.375 1.00 0.00 O ATOM 1430 CB GLU A 94 8.492 -9.338 8.020 1.00 0.00 C ATOM 1431 CG GLU A 94 7.667 -10.309 8.847 1.00 0.00 C ATOM 1432 CD GLU A 94 8.434 -10.866 10.031 1.00 0.00 C ATOM 1433 OE1 GLU A 94 9.440 -11.570 9.806 1.00 0.00 O ATOM 1434 OE2 GLU A 94 8.027 -10.598 11.181 1.00 0.00 O ATOM 0 H GLU A 94 9.353 -7.999 10.715 1.00 0.00 H new ATOM 0 HA GLU A 94 9.124 -7.285 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.987 -9.163 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.454 -9.796 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.770 -9.804 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.338 -11.132 8.213 1.00 0.00 H new ATOM 1441 N PRO A 95 6.747 -6.607 8.463 1.00 0.00 N ATOM 1442 CA PRO A 95 5.469 -6.000 8.847 1.00 0.00 C ATOM 1443 C PRO A 95 4.334 -7.018 8.892 1.00 0.00 C ATOM 1444 O PRO A 95 4.111 -7.755 7.932 1.00 0.00 O ATOM 1445 CB PRO A 95 5.220 -4.969 7.744 1.00 0.00 C ATOM 1446 CG PRO A 95 5.973 -5.485 6.566 1.00 0.00 C ATOM 1447 CD PRO A 95 7.183 -6.183 7.122 1.00 0.00 C ATOM 0 HA PRO A 95 5.506 -5.572 9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.157 -4.874 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.574 -3.981 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.361 -6.172 5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.263 -4.671 5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.474 -7.034 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.044 -5.516 7.172 1.00 0.00 H new ATOM 1455 N ASP A 96 3.620 -7.052 10.012 1.00 0.00 N ATOM 1456 CA ASP A 96 2.506 -7.978 10.180 1.00 0.00 C ATOM 1457 C ASP A 96 1.310 -7.548 9.337 1.00 0.00 C ATOM 1458 O ASP A 96 0.870 -6.400 9.406 1.00 0.00 O ATOM 1459 CB ASP A 96 2.104 -8.062 11.653 1.00 0.00 C ATOM 1460 CG ASP A 96 3.277 -7.839 12.588 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.220 -8.658 12.563 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.253 -6.844 13.343 1.00 0.00 O ATOM 0 H ASP A 96 3.793 -6.449 10.817 1.00 0.00 H new ATOM 0 HA ASP A 96 2.830 -8.963 9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.333 -7.320 11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.666 -9.040 11.852 1.00 0.00 H new ATOM 1467 N TRP A 97 0.789 -8.476 8.542 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.356 -8.193 7.685 1.00 0.00 C ATOM 1469 C TRP A 97 -1.445 -7.456 8.456 1.00 0.00 C ATOM 1470 O TRP A 97 -1.967 -6.440 7.997 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.916 -9.491 7.102 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.342 -10.476 8.147 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.578 -11.461 8.706 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.634 -10.573 8.758 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.317 -12.164 9.627 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.581 -11.639 9.678 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.829 -9.863 8.618 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.678 -12.009 10.452 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.917 -10.232 9.387 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.835 -11.296 10.294 1.00 0.00 C ATOM 0 H TRP A 97 1.141 -9.431 8.473 1.00 0.00 H new ATOM 0 HA TRP A 97 -0.018 -7.553 6.870 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.769 -9.257 6.465 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.160 -9.951 6.466 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.455 -11.658 8.460 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.979 -12.950 10.183 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.902 -9.041 7.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.618 -12.829 11.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.846 -9.691 9.287 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.703 -11.559 10.881 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.784 -7.974 9.632 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.811 -7.365 10.469 1.00 0.00 C ATOM 1493 C LYS A 98 -2.682 -5.845 10.468 1.00 0.00 C ATOM 1494 O LYS A 98 -3.684 -5.128 10.460 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.710 -7.894 11.902 1.00 0.00 C ATOM 1496 CG LYS A 98 -3.016 -9.377 12.025 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.855 -9.863 13.455 1.00 0.00 C ATOM 1498 CE LYS A 98 -3.273 -11.318 13.600 1.00 0.00 C ATOM 1499 NZ LYS A 98 -2.745 -11.925 14.854 1.00 0.00 N ATOM 0 H LYS A 98 -1.362 -8.815 10.027 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.785 -7.631 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.705 -7.706 12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.399 -7.335 12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.035 -9.568 11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.352 -9.942 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.816 -9.749 13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.455 -9.243 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.361 -11.386 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.914 -11.886 12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.052 -12.917 14.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.706 -11.884 14.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.108 -11.399 15.674 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.446 -5.360 10.474 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.187 -3.924 10.473 1.00 0.00 C ATOM 1515 C CYS A 99 -1.248 -3.362 9.057 1.00 0.00 C ATOM 1516 O CYS A 99 -2.061 -2.487 8.759 1.00 0.00 O ATOM 1517 CB CYS A 99 0.180 -3.631 11.093 1.00 0.00 C ATOM 1518 SG CYS A 99 0.321 -4.111 12.830 1.00 0.00 S ATOM 0 H CYS A 99 -0.607 -5.940 10.480 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.960 -3.440 11.070 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.946 -4.153 10.520 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.386 -2.564 11.004 1.00 0.00 H new ATOM 0 HG CYS A 99 1.513 -3.826 13.264 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.381 -3.869 8.186 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.336 -3.418 6.801 1.00 0.00 C ATOM 1526 C VAL A 100 -1.739 -3.293 6.217 1.00 0.00 C ATOM 1527 O VAL A 100 -2.173 -2.203 5.846 1.00 0.00 O ATOM 1528 CB VAL A 100 0.490 -4.378 5.924 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.477 -3.921 4.473 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.915 -4.483 6.446 1.00 0.00 C ATOM 0 H VAL A 100 0.300 -4.593 8.416 1.00 0.00 H new ATOM 0 HA VAL A 100 0.142 -2.438 6.803 1.00 0.00 H new ATOM 0 HB VAL A 100 0.036 -5.368 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.066 -4.611 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.549 -3.902 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.905 -2.921 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.484 -5.165 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.382 -3.498 6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.901 -4.861 7.468 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.442 -4.417 6.139 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.797 -4.435 5.599 1.00 0.00 C ATOM 1542 C TYR A 101 -4.569 -3.190 6.024 1.00 0.00 C ATOM 1543 O TYR A 101 -5.318 -2.609 5.237 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.537 -5.691 6.062 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.041 -5.542 6.062 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.691 -4.850 7.077 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.813 -6.092 5.046 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.065 -4.713 7.081 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.188 -5.957 5.041 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.809 -5.267 6.061 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.179 -5.131 6.061 1.00 0.00 O ATOM 0 H TYR A 101 -2.097 -5.327 6.443 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.727 -4.443 4.511 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.263 -6.524 5.414 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.206 -5.948 7.068 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.112 -4.412 7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.330 -6.634 4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.554 -4.175 7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.773 -6.389 4.243 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.552 -5.578 5.273 1.00 0.00 H new ATOM 1561 N THR A 102 -4.382 -2.784 7.276 1.00 0.00 N ATOM 1562 CA THR A 102 -5.060 -1.609 7.808 1.00 0.00 C ATOM 1563 C THR A 102 -4.806 -0.385 6.935 1.00 0.00 C ATOM 1564 O THR A 102 -5.739 0.319 6.549 1.00 0.00 O ATOM 1565 CB THR A 102 -4.607 -1.302 9.247 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.681 -2.487 10.048 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.469 -0.212 9.866 1.00 0.00 C ATOM 0 H THR A 102 -3.766 -3.252 7.941 1.00 0.00 H new ATOM 0 HA THR A 102 -6.126 -1.834 7.811 1.00 0.00 H new ATOM 0 HB THR A 102 -3.576 -0.951 9.211 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.873 -3.025 9.912 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.129 -0.013 10.882 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.388 0.698 9.271 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.509 -0.539 9.888 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.537 -0.137 6.627 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.160 1.003 5.801 1.00 0.00 C ATOM 1577 C TYR A 103 -3.753 0.881 4.400 1.00 0.00 C ATOM 1578 O TYR A 103 -4.527 1.734 3.966 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.637 1.115 5.714 1.00 0.00 C ATOM 1580 CG TYR A 103 -1.162 2.353 4.987 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.957 3.547 5.667 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.916 2.327 3.620 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.523 4.680 5.007 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.480 3.455 2.951 1.00 0.00 C ATOM 1585 CZ TYR A 103 -0.286 4.629 3.649 1.00 0.00 C ATOM 1586 OH TYR A 103 0.147 5.755 2.988 1.00 0.00 O ATOM 0 H TYR A 103 -2.753 -0.711 6.937 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.558 1.904 6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.223 1.114 6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.244 0.233 5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.140 3.590 6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.068 1.410 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.370 5.600 5.551 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.292 3.418 1.888 1.00 0.00 H new ATOM 0 HH TYR A 103 0.267 5.550 2.037 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.383 -0.186 3.700 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.879 -0.421 2.349 1.00 0.00 C ATOM 1598 C ILE A 104 -5.372 -0.126 2.252 1.00 0.00 C ATOM 1599 O ILE A 104 -5.843 0.415 1.253 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.624 -1.873 1.901 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.125 -2.182 1.929 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.193 -2.105 0.510 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.303 -1.266 1.049 1.00 0.00 C ATOM 0 H ILE A 104 -2.742 -0.901 4.045 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.334 0.255 1.691 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.127 -2.546 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.766 -2.106 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.969 -3.213 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.005 -3.135 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.267 -1.920 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.715 -1.426 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.251 -1.543 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.636 -1.360 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.429 -0.235 1.379 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.109 -0.484 3.299 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.549 -0.257 3.332 1.00 0.00 C ATOM 1617 C GLN A 105 -7.862 1.213 3.589 1.00 0.00 C ATOM 1618 O GLN A 105 -8.694 1.809 2.906 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.200 -1.126 4.409 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.677 -0.834 4.616 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.526 -1.255 3.433 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.528 -0.599 2.391 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.254 -2.355 3.588 1.00 0.00 N ATOM 0 H GLN A 105 -5.733 -0.932 4.135 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.957 -0.532 2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.080 -2.175 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.673 -0.977 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.024 -1.352 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.811 0.233 4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.222 -2.868 4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.845 -2.687 2.826 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.190 1.792 4.580 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.398 3.192 4.928 1.00 0.00 C ATOM 1634 C GLU A 106 -7.115 4.098 3.733 1.00 0.00 C ATOM 1635 O GLU A 106 -7.959 4.900 3.334 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.503 3.587 6.104 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.831 4.951 6.688 1.00 0.00 C ATOM 1638 CD GLU A 106 -8.289 5.079 7.088 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -9.115 5.423 6.217 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.602 4.835 8.272 1.00 0.00 O ATOM 0 H GLU A 106 -6.497 1.313 5.155 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.442 3.316 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.594 2.835 6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.463 3.582 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.202 5.130 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.589 5.723 5.957 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.921 3.963 3.166 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.524 4.770 2.017 1.00 0.00 C ATOM 1649 C PHE A 107 -6.525 4.619 0.876 1.00 0.00 C ATOM 1650 O PHE A 107 -6.861 5.591 0.198 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.127 4.366 1.542 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.506 5.355 0.597 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.519 6.710 0.886 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.910 4.930 -0.579 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.948 7.623 0.019 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.337 5.838 -1.449 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.358 7.187 -1.151 1.00 0.00 C ATOM 0 H PHE A 107 -5.211 3.303 3.483 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.507 5.815 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.477 4.247 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.186 3.394 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.980 7.057 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.893 3.877 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.963 8.676 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.873 5.493 -2.361 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.914 7.899 -1.831 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.998 3.395 0.668 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.958 3.116 -0.393 1.00 0.00 C ATOM 1669 C TYR A 108 -9.155 4.057 -0.305 1.00 0.00 C ATOM 1670 O TYR A 108 -9.601 4.608 -1.312 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.430 1.663 -0.312 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.941 1.119 -1.627 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.152 1.547 -2.156 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.211 0.177 -2.342 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -10.623 1.052 -3.356 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -8.673 -0.322 -3.544 1.00 0.00 C ATOM 1677 CZ TYR A 108 -9.880 0.118 -4.047 1.00 0.00 C ATOM 1678 OH TYR A 108 -10.345 -0.377 -5.244 1.00 0.00 O ATOM 0 H TYR A 108 -6.732 2.580 1.221 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.462 3.277 -1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.605 1.040 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.220 1.587 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.736 2.280 -1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.266 -0.171 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.568 1.394 -3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.092 -1.053 -4.087 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.702 -1.024 -5.602 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.671 4.236 0.906 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.818 5.110 1.127 1.00 0.00 C ATOM 1690 C ARG A 109 -10.515 6.532 0.662 1.00 0.00 C ATOM 1691 O ARG A 109 -11.359 7.188 0.051 1.00 0.00 O ATOM 1692 CB ARG A 109 -11.203 5.117 2.607 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.280 6.133 2.951 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.169 6.595 4.396 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.463 6.993 4.944 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.630 7.440 6.184 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.590 7.546 7.000 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.839 7.782 6.610 1.00 0.00 N ATOM 0 H ARG A 109 -9.314 3.788 1.750 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.654 4.725 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.550 4.123 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.315 5.325 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.197 6.992 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -13.263 5.694 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.750 5.792 5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.476 7.434 4.456 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.283 6.924 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.659 7.284 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.721 7.889 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.641 7.702 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.966 8.125 7.562 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.307 7.000 0.957 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.894 8.345 0.571 1.00 0.00 C ATOM 1714 C CYS A 110 -8.909 8.503 -0.946 1.00 0.00 C ATOM 1715 O CYS A 110 -9.480 9.458 -1.475 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.496 8.646 1.113 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.431 8.868 2.906 1.00 0.00 S ATOM 0 H CYS A 110 -8.597 6.469 1.462 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.603 9.054 0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.827 7.832 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.118 9.548 0.632 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.207 9.116 3.268 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.278 7.564 -1.641 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.217 7.600 -3.098 1.00 0.00 C ATOM 1725 C LEU A 111 -9.606 7.797 -3.696 1.00 0.00 C ATOM 1726 O LEU A 111 -9.802 8.637 -4.574 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.597 6.308 -3.634 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.235 5.926 -3.054 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.815 4.548 -3.542 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.188 6.967 -3.422 1.00 0.00 C ATOM 0 H LEU A 111 -7.801 6.767 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.593 8.444 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.292 5.490 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.496 6.398 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.320 5.894 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.843 4.293 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.553 3.810 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.747 4.552 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.225 6.679 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.105 7.032 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.483 7.937 -3.022 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.569 7.019 -3.212 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.942 7.110 -3.696 1.00 0.00 C ATOM 1744 C VAL A 112 -12.448 8.547 -3.644 1.00 0.00 C ATOM 1745 O VAL A 112 -13.099 9.020 -4.575 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.888 6.214 -2.875 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.320 6.360 -3.364 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.437 4.763 -2.942 1.00 0.00 C ATOM 0 H VAL A 112 -10.424 6.318 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.936 6.767 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.852 6.534 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.974 5.719 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.636 7.398 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.378 6.068 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.116 4.143 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.443 4.428 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.428 4.677 -2.538 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.144 9.237 -2.549 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.570 10.621 -2.375 1.00 0.00 C ATOM 1760 C GLN A 113 -11.818 11.544 -3.328 1.00 0.00 C ATOM 1761 O GLN A 113 -12.419 12.384 -4.000 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.346 11.068 -0.930 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.157 10.278 0.084 1.00 0.00 C ATOM 1764 CD GLN A 113 -12.901 10.723 1.511 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -13.377 11.774 1.941 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -12.145 9.923 2.254 1.00 0.00 N ATOM 0 H GLN A 113 -11.605 8.860 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.634 10.680 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.287 10.973 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.600 12.124 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.218 10.386 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.917 9.219 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.771 9.061 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.938 10.170 3.222 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.500 11.385 -3.382 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.665 12.204 -4.253 1.00 0.00 C ATOM 1777 C LYS A 114 -10.154 12.136 -5.696 1.00 0.00 C ATOM 1778 O LYS A 114 -10.080 13.118 -6.434 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.207 11.744 -4.176 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.446 12.330 -3.000 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.176 13.813 -3.194 1.00 0.00 C ATOM 1782 CE LYS A 114 -5.962 14.047 -4.079 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.334 14.132 -5.519 1.00 0.00 N ATOM 0 H LYS A 114 -9.987 10.696 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.733 13.237 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.181 10.656 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.699 12.019 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.018 12.180 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.501 11.800 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.050 14.288 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.017 14.285 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.465 14.969 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.247 13.237 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.858 13.372 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.364 14.029 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.040 15.054 -5.900 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.657 10.971 -6.093 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.153 10.798 -7.446 1.00 0.00 C ATOM 1799 C GLY A 115 -10.239 9.934 -8.292 1.00 0.00 C ATOM 1800 O GLY A 115 -10.129 10.133 -9.502 1.00 0.00 O ATOM 0 H GLY A 115 -10.730 10.143 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.145 10.347 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.263 11.775 -7.917 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.581 8.971 -7.655 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.671 8.073 -8.357 1.00 0.00 C ATOM 1806 C LEU A 116 -9.321 6.713 -8.591 1.00 0.00 C ATOM 1807 O LEU A 116 -9.199 6.133 -9.670 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.377 7.902 -7.559 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.444 9.113 -7.525 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.635 9.127 -6.238 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.524 9.112 -8.736 1.00 0.00 C ATOM 0 H LEU A 116 -9.661 8.792 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.438 8.515 -9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.638 7.641 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.827 7.057 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.052 10.017 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.977 9.996 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.311 9.177 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.037 8.218 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.867 9.981 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.923 8.203 -8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.121 9.152 -9.647 1.00 0.00 H new ATOM 1823 N VAL A 117 -10.013 6.210 -7.574 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.685 4.920 -7.670 1.00 0.00 C ATOM 1825 C VAL A 117 -12.181 5.059 -7.406 1.00 0.00 C ATOM 1826 O VAL A 117 -12.603 5.303 -6.276 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.092 3.903 -6.678 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.861 2.591 -6.734 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.615 3.678 -6.966 1.00 0.00 C ATOM 0 H VAL A 117 -10.123 6.677 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.530 4.557 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.185 4.308 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.427 1.885 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.905 2.770 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.803 2.178 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.212 2.956 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.496 3.295 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.078 4.621 -6.870 1.00 0.00 H new ATOM 1839 N LYS A 118 -12.978 4.901 -8.457 1.00 0.00 N ATOM 1840 CA LYS A 118 -14.428 5.006 -8.340 1.00 0.00 C ATOM 1841 C LYS A 118 -15.039 3.671 -7.927 1.00 0.00 C ATOM 1842 O LYS A 118 -15.361 2.835 -8.773 1.00 0.00 O ATOM 1843 CB LYS A 118 -15.035 5.468 -9.667 1.00 0.00 C ATOM 1844 CG LYS A 118 -14.312 4.927 -10.888 1.00 0.00 C ATOM 1845 CD LYS A 118 -15.130 5.123 -12.153 1.00 0.00 C ATOM 1846 CE LYS A 118 -15.039 6.554 -12.660 1.00 0.00 C ATOM 1847 NZ LYS A 118 -15.777 6.737 -13.940 1.00 0.00 N ATOM 0 H LYS A 118 -12.645 4.700 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 118 -14.653 5.742 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -16.079 5.158 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -15.024 6.557 -9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.350 5.429 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -14.104 3.866 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -14.777 4.439 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.172 4.871 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -15.443 7.232 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -13.992 6.823 -12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -15.691 7.725 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -15.376 6.109 -14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -16.781 6.505 -13.798 1.00 0.00 H new ATOM 1861 N THR A 119 -15.197 3.476 -6.622 1.00 0.00 N ATOM 1862 CA THR A 119 -15.770 2.242 -6.097 1.00 0.00 C ATOM 1863 C THR A 119 -17.291 2.258 -6.193 1.00 0.00 C ATOM 1864 O THR A 119 -17.911 3.322 -6.228 1.00 0.00 O ATOM 1865 CB THR A 119 -15.361 2.013 -4.630 1.00 0.00 C ATOM 1866 OG1 THR A 119 -15.642 3.184 -3.854 1.00 0.00 O ATOM 1867 CG2 THR A 119 -13.882 1.673 -4.527 1.00 0.00 C ATOM 0 H THR A 119 -14.936 4.157 -5.909 1.00 0.00 H new ATOM 0 HA THR A 119 -15.379 1.427 -6.706 1.00 0.00 H new ATOM 0 HB THR A 119 -15.938 1.174 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 119 -15.381 3.029 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.617 1.516 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 119 -13.677 0.765 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.291 2.494 -4.932 1.00 0.00 H new ATOM 1875 N LYS A 120 -17.889 1.073 -6.233 1.00 0.00 N ATOM 1876 CA LYS A 120 -19.339 0.949 -6.323 1.00 0.00 C ATOM 1877 C LYS A 120 -19.941 0.601 -4.965 1.00 0.00 C ATOM 1878 O LYS A 120 -20.227 -0.562 -4.681 1.00 0.00 O ATOM 1879 CB LYS A 120 -19.718 -0.121 -7.349 1.00 0.00 C ATOM 1880 CG LYS A 120 -19.635 0.360 -8.788 1.00 0.00 C ATOM 1881 CD LYS A 120 -20.766 1.319 -9.122 1.00 0.00 C ATOM 1882 CE LYS A 120 -22.058 0.574 -9.423 1.00 0.00 C ATOM 1883 NZ LYS A 120 -22.817 0.257 -8.181 1.00 0.00 N ATOM 0 H LYS A 120 -17.391 0.183 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 120 -19.741 1.910 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -19.061 -0.982 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -20.733 -0.463 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -18.677 0.854 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -19.672 -0.496 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -20.924 2.001 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -20.487 1.927 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -22.680 1.177 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -21.829 -0.350 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -22.701 -0.751 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -22.455 0.835 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -23.825 0.465 -8.328 1.00 0.00 H new ATOM 1897 N LYS A 121 -20.131 1.616 -4.129 1.00 0.00 N ATOM 1898 CA LYS A 121 -20.701 1.419 -2.802 1.00 0.00 C ATOM 1899 C LYS A 121 -22.210 1.214 -2.882 1.00 0.00 C ATOM 1900 O LYS A 121 -22.821 1.437 -3.927 1.00 0.00 O ATOM 1901 CB LYS A 121 -20.385 2.619 -1.905 1.00 0.00 C ATOM 1902 CG LYS A 121 -21.058 3.905 -2.351 1.00 0.00 C ATOM 1903 CD LYS A 121 -22.437 4.057 -1.731 1.00 0.00 C ATOM 1904 CE LYS A 121 -23.083 5.376 -2.124 1.00 0.00 C ATOM 1905 NZ LYS A 121 -22.427 6.535 -1.458 1.00 0.00 N ATOM 0 H LYS A 121 -19.898 2.585 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 121 -20.253 0.523 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -20.695 2.391 -0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -19.306 2.772 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -20.437 4.757 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -21.144 3.914 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -23.073 3.231 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -22.357 3.999 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -23.027 5.500 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -24.140 5.356 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -22.977 7.398 -1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -22.381 6.366 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -21.464 6.651 -1.833 1.00 0.00 H new ATOM 1919 N SER A 122 -22.805 0.791 -1.772 1.00 0.00 N ATOM 1920 CA SER A 122 -24.243 0.554 -1.718 1.00 0.00 C ATOM 1921 C SER A 122 -24.953 1.688 -0.985 1.00 0.00 C ATOM 1922 O SER A 122 -24.416 2.262 -0.038 1.00 0.00 O ATOM 1923 CB SER A 122 -24.537 -0.779 -1.027 1.00 0.00 C ATOM 1924 OG SER A 122 -25.931 -0.976 -0.871 1.00 0.00 O ATOM 0 H SER A 122 -22.314 0.605 -0.898 1.00 0.00 H new ATOM 0 HA SER A 122 -24.618 0.514 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 122 -24.114 -1.596 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 122 -24.052 -0.801 -0.051 1.00 0.00 H new ATOM 0 HG SER A 122 -26.092 -1.835 -0.429 1.00 0.00 H new ATOM 1930 N SER A 123 -26.165 2.005 -1.431 1.00 0.00 N ATOM 1931 CA SER A 123 -26.949 3.073 -0.821 1.00 0.00 C ATOM 1932 C SER A 123 -27.104 2.843 0.680 1.00 0.00 C ATOM 1933 O SER A 123 -26.881 1.739 1.177 1.00 0.00 O ATOM 1934 CB SER A 123 -28.326 3.164 -1.480 1.00 0.00 C ATOM 1935 OG SER A 123 -29.175 2.120 -1.034 1.00 0.00 O ATOM 0 H SER A 123 -26.625 1.538 -2.212 1.00 0.00 H new ATOM 0 HA SER A 123 -26.419 4.013 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 123 -28.779 4.128 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 123 -28.218 3.112 -2.563 1.00 0.00 H new ATOM 0 HG SER A 123 -30.050 2.201 -1.469 1.00 0.00 H new ATOM 1941 N GLY A 124 -27.490 3.894 1.396 1.00 0.00 N ATOM 1942 CA GLY A 124 -27.669 3.787 2.833 1.00 0.00 C ATOM 1943 C GLY A 124 -26.551 3.012 3.501 1.00 0.00 C ATOM 1944 O GLY A 124 -26.670 1.816 3.768 1.00 0.00 O ATOM 0 H GLY A 124 -27.682 4.817 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -27.722 4.786 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -28.621 3.298 3.042 1.00 0.00 H new ATOM 1948 N PRO A 125 -25.433 3.699 3.779 1.00 0.00 N ATOM 1949 CA PRO A 125 -24.267 3.086 4.422 1.00 0.00 C ATOM 1950 C PRO A 125 -24.530 2.731 5.882 1.00 0.00 C ATOM 1951 O PRO A 125 -25.630 2.939 6.393 1.00 0.00 O ATOM 1952 CB PRO A 125 -23.194 4.173 4.321 1.00 0.00 C ATOM 1953 CG PRO A 125 -23.956 5.450 4.233 1.00 0.00 C ATOM 1954 CD PRO A 125 -25.222 5.127 3.488 1.00 0.00 C ATOM 0 HA PRO A 125 -23.987 2.146 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -22.537 4.163 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -22.564 4.027 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -24.177 5.842 5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -23.379 6.213 3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -26.058 5.735 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -25.116 5.308 2.418 1.00 0.00 H new ATOM 1962 N SER A 126 -23.512 2.195 6.548 1.00 0.00 N ATOM 1963 CA SER A 126 -23.635 1.808 7.949 1.00 0.00 C ATOM 1964 C SER A 126 -22.964 2.834 8.856 1.00 0.00 C ATOM 1965 O SER A 126 -23.579 3.350 9.789 1.00 0.00 O ATOM 1966 CB SER A 126 -23.015 0.428 8.174 1.00 0.00 C ATOM 1967 OG SER A 126 -23.448 -0.131 9.402 1.00 0.00 O ATOM 0 H SER A 126 -22.594 2.019 6.141 1.00 0.00 H new ATOM 0 HA SER A 126 -24.695 1.767 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 126 -23.288 -0.235 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 126 -21.928 0.509 8.171 1.00 0.00 H new ATOM 0 HG SER A 126 -23.039 -1.014 9.522 1.00 0.00 H new ATOM 1973 N SER A 127 -21.698 3.125 8.576 1.00 0.00 N ATOM 1974 CA SER A 127 -20.940 4.086 9.368 1.00 0.00 C ATOM 1975 C SER A 127 -20.564 5.304 8.530 1.00 0.00 C ATOM 1976 O SER A 127 -19.564 5.294 7.814 1.00 0.00 O ATOM 1977 CB SER A 127 -19.678 3.432 9.933 1.00 0.00 C ATOM 1978 OG SER A 127 -19.303 4.025 11.164 1.00 0.00 O ATOM 0 H SER A 127 -21.175 2.708 7.806 1.00 0.00 H new ATOM 0 HA SER A 127 -21.570 4.415 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 127 -19.851 2.366 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 127 -18.863 3.528 9.216 1.00 0.00 H new ATOM 0 HG SER A 127 -18.495 3.588 11.505 1.00 0.00 H new ATOM 1984 N GLY A 128 -21.373 6.355 8.627 1.00 0.00 N ATOM 1985 CA GLY A 128 -21.110 7.566 7.873 1.00 0.00 C ATOM 1986 C GLY A 128 -22.152 8.639 8.116 1.00 0.00 C ATOM 1987 O GLY A 128 -21.929 9.811 7.815 1.00 0.00 O ATOM 0 H GLY A 128 -22.206 6.389 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -20.127 7.951 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -21.079 7.328 6.810 1.00 0.00 H new TER 1991 GLY A 128