USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 990 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 57 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-9.9!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -175:sc= -0.289 (180deg=-0.355) USER MOD Set 2.2: A 33 THR OG1 : rot 88:sc= -0.822 USER MOD Set 3.1: A 23 CYS SG : rot 180:sc= 0.168 USER MOD Set 3.2: A 26 TYR OH : rot -105:sc= 0.174 USER MOD Set 4.1: A 13 ASN : amide:sc= -10.2! C(o=-16!,f=-26!) USER MOD Set 4.2: A 15 ASN : amide:sc= -3.14! C(o=-16!,f=-25!) USER MOD Set 4.3: A 20 MET CE :methyl -154:sc= -2.32 (180deg=-1.86) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.073) 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 8 THR OG1 : rot 9:sc= 0.386 USER MOD Single : A 10 HIS : no HE2:sc= -2.25! K(o=-2.3!,f=-3.1) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.56) USER MOD Single : A 44 GLN : amide:sc= -5.11! C(o=-5.1!,f=-8.8!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.017) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0.357 (180deg=0.0562) USER MOD Single : A 58 CYS SG : rot -75:sc= -7.49! USER MOD Single : A 62 SER OG : rot 180:sc= -0.57 USER MOD Single : A 65 SER OG : rot 32:sc= 0.067 USER MOD Single : A 66 ASN : amide:sc=-0.000244 K(o=-0.00024,f=-1.2) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0.0597 USER MOD Single : A 80 SER OG : rot 40:sc= -2.72 USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.978 X(o=-0.98,f=-1.3) USER MOD Single : A 97 SER OG : rot 171:sc= -0.128 USER MOD Single : A 99 ASN : amide:sc= -10.2! C(o=-10!,f=-5.6!) USER MOD Single : A 103 MET CE :methyl 151:sc= -1.51 (180deg=-3.87!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 107 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-4.2!) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 113 HIS : no HD1:sc= -2.95 K(o=-3,f=-8.8!) USER MOD Single : A 116 GLN : amide:sc= -2.37! C(o=-2.4!,f=-4.3!) USER MOD Single : A 123 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0502) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.978 -12.161 -17.029 1.00 0.00 N ATOM 2 CA GLY A 1 5.825 -13.041 -17.044 1.00 0.00 C ATOM 3 C GLY A 1 5.243 -13.259 -15.662 1.00 0.00 C ATOM 4 O GLY A 1 4.807 -14.362 -15.331 1.00 0.00 O ATOM 0 H1 GLY A 1 7.429 -12.164 -17.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.674 -11.194 -16.795 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.658 -12.492 -16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.059 -12.620 -17.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.111 -14.003 -17.470 1.00 0.00 H new ATOM 8 N SER A 2 5.236 -12.206 -14.851 1.00 0.00 N ATOM 9 CA SER A 2 4.709 -12.289 -13.494 1.00 0.00 C ATOM 10 C SER A 2 3.200 -12.062 -13.484 1.00 0.00 C ATOM 11 O SER A 2 2.698 -11.119 -14.096 1.00 0.00 O ATOM 12 CB SER A 2 5.397 -11.261 -12.593 1.00 0.00 C ATOM 13 OG SER A 2 5.442 -11.710 -11.250 1.00 0.00 O ATOM 0 H SER A 2 5.589 -11.285 -15.110 1.00 0.00 H new ATOM 0 HA SER A 2 4.912 -13.289 -13.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.409 -11.077 -12.953 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.863 -10.312 -12.645 1.00 0.00 H new ATOM 0 HG SER A 2 5.888 -11.037 -10.695 1.00 0.00 H new ATOM 19 N SER A 3 2.482 -12.933 -12.782 1.00 0.00 N ATOM 20 CA SER A 3 1.030 -12.831 -12.694 1.00 0.00 C ATOM 21 C SER A 3 0.499 -13.647 -11.519 1.00 0.00 C ATOM 22 O SER A 3 1.215 -14.463 -10.941 1.00 0.00 O ATOM 23 CB SER A 3 0.384 -13.310 -13.995 1.00 0.00 C ATOM 24 OG SER A 3 -0.899 -12.733 -14.170 1.00 0.00 O ATOM 0 H SER A 3 2.882 -13.717 -12.266 1.00 0.00 H new ATOM 0 HA SER A 3 0.773 -11.784 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.022 -13.049 -14.839 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.299 -14.397 -13.984 1.00 0.00 H new ATOM 0 HG SER A 3 -1.290 -13.054 -15.009 1.00 0.00 H new ATOM 30 N GLY A 4 -0.764 -13.419 -11.171 1.00 0.00 N ATOM 31 CA GLY A 4 -1.371 -14.139 -10.067 1.00 0.00 C ATOM 32 C GLY A 4 -2.792 -14.572 -10.368 1.00 0.00 C ATOM 33 O GLY A 4 -3.060 -15.159 -11.416 1.00 0.00 O ATOM 0 H GLY A 4 -1.377 -12.748 -11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.768 -15.017 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.368 -13.507 -9.179 1.00 0.00 H new ATOM 37 N SER A 5 -3.705 -14.283 -9.447 1.00 0.00 N ATOM 38 CA SER A 5 -5.106 -14.651 -9.617 1.00 0.00 C ATOM 39 C SER A 5 -5.900 -13.500 -10.227 1.00 0.00 C ATOM 40 O SER A 5 -5.344 -12.451 -10.553 1.00 0.00 O ATOM 41 CB SER A 5 -5.717 -15.050 -8.272 1.00 0.00 C ATOM 42 OG SER A 5 -5.970 -13.910 -7.468 1.00 0.00 O ATOM 0 H SER A 5 -3.500 -13.795 -8.575 1.00 0.00 H new ATOM 0 HA SER A 5 -5.153 -15.502 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.646 -15.595 -8.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.041 -15.726 -7.748 1.00 0.00 H new ATOM 0 HG SER A 5 -6.362 -14.192 -6.615 1.00 0.00 H new ATOM 48 N SER A 6 -7.204 -13.705 -10.381 1.00 0.00 N ATOM 49 CA SER A 6 -8.076 -12.687 -10.956 1.00 0.00 C ATOM 50 C SER A 6 -7.977 -11.382 -10.172 1.00 0.00 C ATOM 51 O SER A 6 -7.536 -11.365 -9.024 1.00 0.00 O ATOM 52 CB SER A 6 -9.525 -13.177 -10.973 1.00 0.00 C ATOM 53 OG SER A 6 -9.643 -14.398 -11.682 1.00 0.00 O ATOM 0 H SER A 6 -7.680 -14.567 -10.116 1.00 0.00 H new ATOM 0 HA SER A 6 -7.751 -12.501 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.879 -13.311 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.162 -12.422 -11.434 1.00 0.00 H new ATOM 0 HG SER A 6 -10.578 -14.690 -11.677 1.00 0.00 H new ATOM 59 N GLY A 7 -8.393 -10.287 -10.803 1.00 0.00 N ATOM 60 CA GLY A 7 -8.343 -8.992 -10.151 1.00 0.00 C ATOM 61 C GLY A 7 -7.141 -8.846 -9.240 1.00 0.00 C ATOM 62 O GLY A 7 -7.276 -8.840 -8.016 1.00 0.00 O ATOM 0 H GLY A 7 -8.763 -10.275 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.318 -8.208 -10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.254 -8.846 -9.571 1.00 0.00 H new ATOM 66 N THR A 8 -5.958 -8.731 -9.837 1.00 0.00 N ATOM 67 CA THR A 8 -4.727 -8.588 -9.071 1.00 0.00 C ATOM 68 C THR A 8 -4.586 -7.176 -8.514 1.00 0.00 C ATOM 69 O THR A 8 -4.886 -6.186 -9.182 1.00 0.00 O ATOM 70 CB THR A 8 -3.490 -8.913 -9.931 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.538 -10.279 -10.360 1.00 0.00 O ATOM 72 CG2 THR A 8 -2.208 -8.666 -9.150 1.00 0.00 C ATOM 0 H THR A 8 -5.827 -8.734 -10.849 1.00 0.00 H new ATOM 0 HA THR A 8 -4.785 -9.297 -8.245 1.00 0.00 H new ATOM 0 HB THR A 8 -3.497 -8.258 -10.802 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.410 -10.663 -10.131 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.349 -8.902 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.161 -7.619 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.195 -9.299 -8.263 1.00 0.00 H new ATOM 80 N PRO A 9 -4.118 -7.078 -7.261 1.00 0.00 N ATOM 81 CA PRO A 9 -3.926 -5.791 -6.586 1.00 0.00 C ATOM 82 C PRO A 9 -2.775 -4.989 -7.183 1.00 0.00 C ATOM 83 O PRO A 9 -1.762 -5.554 -7.598 1.00 0.00 O ATOM 84 CB PRO A 9 -3.608 -6.190 -5.143 1.00 0.00 C ATOM 85 CG PRO A 9 -3.039 -7.563 -5.247 1.00 0.00 C ATOM 86 CD PRO A 9 -3.740 -8.216 -6.406 1.00 0.00 C ATOM 0 HA PRO A 9 -4.800 -5.147 -6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.897 -5.500 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.504 -6.179 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.962 -7.528 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.202 -8.124 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.086 -8.913 -6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.613 -8.782 -6.081 1.00 0.00 H new ATOM 94 N HIS A 10 -2.935 -3.670 -7.223 1.00 0.00 N ATOM 95 CA HIS A 10 -1.908 -2.791 -7.769 1.00 0.00 C ATOM 96 C HIS A 10 -2.111 -1.356 -7.292 1.00 0.00 C ATOM 97 O HIS A 10 -3.230 -0.948 -6.979 1.00 0.00 O ATOM 98 CB HIS A 10 -1.924 -2.840 -9.297 1.00 0.00 C ATOM 99 CG HIS A 10 -3.240 -2.448 -9.895 1.00 0.00 C ATOM 100 ND1 HIS A 10 -4.357 -3.255 -9.851 1.00 0.00 N ATOM 101 CD2 HIS A 10 -3.614 -1.325 -10.552 1.00 0.00 C ATOM 102 CE1 HIS A 10 -5.361 -2.647 -10.457 1.00 0.00 C ATOM 103 NE2 HIS A 10 -4.936 -1.474 -10.891 1.00 0.00 N ATOM 0 H HIS A 10 -3.767 -3.187 -6.884 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.939 -3.140 -7.412 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.148 -2.178 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.673 -3.849 -9.623 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.401 -4.178 -9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.989 -0.471 -10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.359 -3.042 -10.577 1.00 0.00 H new ATOM 111 N LEU A 11 -1.023 -0.596 -7.238 1.00 0.00 N ATOM 112 CA LEU A 11 -1.081 0.794 -6.798 1.00 0.00 C ATOM 113 C LEU A 11 -0.881 1.745 -7.974 1.00 0.00 C ATOM 114 O LEU A 11 0.058 1.596 -8.755 1.00 0.00 O ATOM 115 CB LEU A 11 -0.019 1.056 -5.729 1.00 0.00 C ATOM 116 CG LEU A 11 0.123 -0.016 -4.648 1.00 0.00 C ATOM 117 CD1 LEU A 11 1.500 0.055 -4.004 1.00 0.00 C ATOM 118 CD2 LEU A 11 -0.967 0.137 -3.598 1.00 0.00 C ATOM 0 H LEU A 11 -0.090 -0.919 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.068 0.974 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.945 1.174 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.247 2.005 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 11 0.013 -0.994 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.583 -0.715 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.265 -0.105 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.639 1.036 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.850 -0.634 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.889 1.120 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.944 0.035 -4.070 1.00 0.00 H new ATOM 130 N VAL A 12 -1.771 2.726 -8.092 1.00 0.00 N ATOM 131 CA VAL A 12 -1.690 3.705 -9.169 1.00 0.00 C ATOM 132 C VAL A 12 -0.965 4.966 -8.714 1.00 0.00 C ATOM 133 O VAL A 12 -1.085 5.381 -7.562 1.00 0.00 O ATOM 134 CB VAL A 12 -3.090 4.089 -9.684 1.00 0.00 C ATOM 135 CG1 VAL A 12 -2.992 4.770 -11.041 1.00 0.00 C ATOM 136 CG2 VAL A 12 -3.985 2.861 -9.759 1.00 0.00 C ATOM 0 H VAL A 12 -2.556 2.863 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.128 3.239 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.536 4.794 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.991 5.034 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.388 5.673 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.527 4.091 -11.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.970 3.151 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.545 2.131 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.082 2.420 -8.767 1.00 0.00 H new ATOM 146 N ASN A 13 -0.212 5.572 -9.626 1.00 0.00 N ATOM 147 CA ASN A 13 0.533 6.787 -9.318 1.00 0.00 C ATOM 148 C ASN A 13 -0.306 8.028 -9.605 1.00 0.00 C ATOM 149 O ASN A 13 -0.092 8.719 -10.602 1.00 0.00 O ATOM 150 CB ASN A 13 1.829 6.835 -10.130 1.00 0.00 C ATOM 151 CG ASN A 13 2.753 7.950 -9.680 1.00 0.00 C ATOM 152 OD1 ASN A 13 2.324 9.088 -9.492 1.00 0.00 O ATOM 153 ND2 ASN A 13 4.029 7.626 -9.504 1.00 0.00 N ATOM 0 H ASN A 13 -0.102 5.241 -10.585 1.00 0.00 H new ATOM 0 HA ASN A 13 0.777 6.774 -8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.346 5.880 -10.040 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.589 6.969 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.698 8.334 -9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.340 6.669 -9.672 1.00 0.00 H new ATOM 160 N LEU A 14 -1.262 8.305 -8.725 1.00 0.00 N ATOM 161 CA LEU A 14 -2.135 9.464 -8.883 1.00 0.00 C ATOM 162 C LEU A 14 -1.415 10.746 -8.478 1.00 0.00 C ATOM 163 O LEU A 14 -2.016 11.819 -8.433 1.00 0.00 O ATOM 164 CB LEU A 14 -3.403 9.290 -8.045 1.00 0.00 C ATOM 165 CG LEU A 14 -3.202 9.221 -6.531 1.00 0.00 C ATOM 166 CD1 LEU A 14 -4.465 9.658 -5.804 1.00 0.00 C ATOM 167 CD2 LEU A 14 -2.801 7.815 -6.109 1.00 0.00 C ATOM 0 H LEU A 14 -1.453 7.744 -7.895 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.410 9.541 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.076 10.119 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.905 8.378 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.397 9.904 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.303 9.602 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.708 10.684 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.290 9.002 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.662 7.785 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.584 7.112 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.869 7.539 -6.602 1.00 0.00 H new ATOM 179 N ASN A 15 -0.124 10.627 -8.186 1.00 0.00 N ATOM 180 CA ASN A 15 0.678 11.778 -7.786 1.00 0.00 C ATOM 181 C ASN A 15 0.366 12.989 -8.660 1.00 0.00 C ATOM 182 O ASN A 15 -0.242 12.859 -9.722 1.00 0.00 O ATOM 183 CB ASN A 15 2.168 11.442 -7.874 1.00 0.00 C ATOM 184 CG ASN A 15 2.525 10.189 -7.098 1.00 0.00 C ATOM 185 OD1 ASN A 15 1.759 9.226 -7.065 1.00 0.00 O ATOM 186 ND2 ASN A 15 3.695 10.196 -6.470 1.00 0.00 N ATOM 0 H ASN A 15 0.389 9.746 -8.219 1.00 0.00 H new ATOM 0 HA ASN A 15 0.427 12.023 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.447 11.310 -8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.750 12.281 -7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.990 9.381 -5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.298 11.017 -6.525 1.00 0.00 H new ATOM 193 N GLU A 16 0.786 14.165 -8.204 1.00 0.00 N ATOM 194 CA GLU A 16 0.551 15.399 -8.945 1.00 0.00 C ATOM 195 C GLU A 16 1.626 15.609 -10.007 1.00 0.00 C ATOM 196 O GLU A 16 1.642 16.630 -10.695 1.00 0.00 O ATOM 197 CB GLU A 16 0.520 16.594 -7.990 1.00 0.00 C ATOM 198 CG GLU A 16 1.888 17.207 -7.738 1.00 0.00 C ATOM 199 CD GLU A 16 1.958 17.954 -6.420 1.00 0.00 C ATOM 200 OE1 GLU A 16 2.162 17.300 -5.376 1.00 0.00 O ATOM 201 OE2 GLU A 16 1.809 19.194 -6.434 1.00 0.00 O ATOM 0 H GLU A 16 1.290 14.289 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.415 15.316 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.142 17.358 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.092 16.277 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.642 16.420 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.132 17.890 -8.552 1.00 0.00 H new ATOM 208 N ASP A 17 2.522 14.637 -10.134 1.00 0.00 N ATOM 209 CA ASP A 17 3.601 14.714 -11.112 1.00 0.00 C ATOM 210 C ASP A 17 3.357 13.749 -12.268 1.00 0.00 C ATOM 211 O ASP A 17 3.919 12.655 -12.325 1.00 0.00 O ATOM 212 CB ASP A 17 4.943 14.405 -10.448 1.00 0.00 C ATOM 213 CG ASP A 17 5.582 15.635 -9.833 1.00 0.00 C ATOM 214 OD1 ASP A 17 4.915 16.689 -9.787 1.00 0.00 O ATOM 215 OD2 ASP A 17 6.750 15.543 -9.399 1.00 0.00 O ATOM 0 H ASP A 17 2.523 13.786 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 17 3.626 15.729 -11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.797 13.650 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.621 13.978 -11.187 1.00 0.00 H new ATOM 220 N PRO A 18 2.497 14.161 -13.211 1.00 0.00 N ATOM 221 CA PRO A 18 2.158 13.347 -14.383 1.00 0.00 C ATOM 222 C PRO A 18 3.323 13.223 -15.359 1.00 0.00 C ATOM 223 O PRO A 18 3.250 12.478 -16.337 1.00 0.00 O ATOM 224 CB PRO A 18 1.001 14.116 -15.026 1.00 0.00 C ATOM 225 CG PRO A 18 1.192 15.526 -14.586 1.00 0.00 C ATOM 226 CD PRO A 18 1.790 15.453 -13.208 1.00 0.00 C ATOM 0 HA PRO A 18 1.907 12.322 -14.109 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.026 14.034 -16.113 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.037 13.727 -14.699 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.851 16.062 -15.269 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.243 16.062 -14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.471 16.283 -13.021 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.023 15.490 -12.435 1.00 0.00 H new ATOM 234 N LEU A 19 4.397 13.957 -15.088 1.00 0.00 N ATOM 235 CA LEU A 19 5.578 13.929 -15.943 1.00 0.00 C ATOM 236 C LEU A 19 6.612 12.942 -15.410 1.00 0.00 C ATOM 237 O LEU A 19 7.560 12.583 -16.108 1.00 0.00 O ATOM 238 CB LEU A 19 6.194 15.325 -16.042 1.00 0.00 C ATOM 239 CG LEU A 19 5.207 16.492 -16.087 1.00 0.00 C ATOM 240 CD1 LEU A 19 5.943 17.819 -15.986 1.00 0.00 C ATOM 241 CD2 LEU A 19 4.374 16.438 -17.359 1.00 0.00 C ATOM 0 H LEU A 19 4.474 14.579 -14.283 1.00 0.00 H new ATOM 0 HA LEU A 19 5.269 13.604 -16.936 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.857 15.469 -15.189 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.813 15.364 -16.938 1.00 0.00 H new ATOM 0 HG LEU A 19 4.535 16.407 -15.233 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.224 18.637 -16.020 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.494 17.859 -15.046 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.639 17.913 -16.819 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.677 17.276 -17.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.031 16.497 -18.227 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.816 15.502 -17.389 1.00 0.00 H new ATOM 253 N MET A 20 6.421 12.505 -14.170 1.00 0.00 N ATOM 254 CA MET A 20 7.336 11.556 -13.545 1.00 0.00 C ATOM 255 C MET A 20 7.846 10.541 -14.563 1.00 0.00 C ATOM 256 O MET A 20 7.061 9.839 -15.200 1.00 0.00 O ATOM 257 CB MET A 20 6.642 10.832 -12.389 1.00 0.00 C ATOM 258 CG MET A 20 5.488 9.947 -12.832 1.00 0.00 C ATOM 259 SD MET A 20 4.244 9.732 -11.544 1.00 0.00 S ATOM 260 CE MET A 20 2.902 9.012 -12.487 1.00 0.00 C ATOM 0 H MET A 20 5.642 12.792 -13.578 1.00 0.00 H new ATOM 0 HA MET A 20 8.188 12.113 -13.156 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.375 10.222 -11.861 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.271 11.571 -11.679 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.020 10.382 -13.715 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.875 8.971 -13.124 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.953 9.237 -12.000 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.901 9.429 -13.494 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.034 7.931 -12.542 1.00 0.00 H new ATOM 270 N SER A 21 9.165 10.470 -14.711 1.00 0.00 N ATOM 271 CA SER A 21 9.779 9.544 -15.655 1.00 0.00 C ATOM 272 C SER A 21 9.743 8.116 -15.117 1.00 0.00 C ATOM 273 O SER A 21 10.269 7.194 -15.740 1.00 0.00 O ATOM 274 CB SER A 21 11.224 9.957 -15.941 1.00 0.00 C ATOM 275 OG SER A 21 11.271 11.141 -16.719 1.00 0.00 O ATOM 0 H SER A 21 9.829 11.043 -14.189 1.00 0.00 H new ATOM 0 HA SER A 21 9.208 9.579 -16.583 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.754 10.114 -15.001 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.739 9.152 -16.466 1.00 0.00 H new ATOM 0 HG SER A 21 12.205 11.385 -16.887 1.00 0.00 H new ATOM 281 N GLU A 22 9.119 7.944 -13.956 1.00 0.00 N ATOM 282 CA GLU A 22 9.016 6.629 -13.334 1.00 0.00 C ATOM 283 C GLU A 22 7.787 5.881 -13.842 1.00 0.00 C ATOM 284 O GLU A 22 7.074 6.364 -14.723 1.00 0.00 O ATOM 285 CB GLU A 22 8.950 6.765 -11.811 1.00 0.00 C ATOM 286 CG GLU A 22 10.224 7.315 -11.193 1.00 0.00 C ATOM 287 CD GLU A 22 10.295 8.829 -11.252 1.00 0.00 C ATOM 288 OE1 GLU A 22 9.464 9.434 -11.961 1.00 0.00 O ATOM 289 OE2 GLU A 22 11.180 9.409 -10.589 1.00 0.00 O ATOM 0 H GLU A 22 8.678 8.697 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 22 9.904 6.058 -13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.118 7.418 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.738 5.788 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.288 6.992 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.086 6.894 -11.711 1.00 0.00 H new ATOM 296 N CYS A 23 7.545 4.702 -13.282 1.00 0.00 N ATOM 297 CA CYS A 23 6.403 3.886 -13.679 1.00 0.00 C ATOM 298 C CYS A 23 5.093 4.546 -13.263 1.00 0.00 C ATOM 299 O CYS A 23 5.019 5.206 -12.226 1.00 0.00 O ATOM 300 CB CYS A 23 6.505 2.492 -13.058 1.00 0.00 C ATOM 301 SG CYS A 23 8.085 1.665 -13.356 1.00 0.00 S ATOM 0 H CYS A 23 8.124 4.289 -12.551 1.00 0.00 H new ATOM 0 HA CYS A 23 6.414 3.794 -14.765 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.346 2.573 -11.983 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.702 1.870 -13.453 1.00 0.00 H new ATOM 0 HG CYS A 23 8.076 0.495 -12.790 1.00 0.00 H new ATOM 307 N LEU A 24 4.061 4.365 -14.080 1.00 0.00 N ATOM 308 CA LEU A 24 2.752 4.945 -13.798 1.00 0.00 C ATOM 309 C LEU A 24 2.071 4.218 -12.643 1.00 0.00 C ATOM 310 O LEU A 24 1.461 4.843 -11.775 1.00 0.00 O ATOM 311 CB LEU A 24 1.867 4.886 -15.045 1.00 0.00 C ATOM 312 CG LEU A 24 2.096 5.986 -16.083 1.00 0.00 C ATOM 313 CD1 LEU A 24 1.638 7.332 -15.544 1.00 0.00 C ATOM 314 CD2 LEU A 24 3.562 6.042 -16.486 1.00 0.00 C ATOM 0 H LEU A 24 4.105 3.822 -14.942 1.00 0.00 H new ATOM 0 HA LEU A 24 2.898 5.987 -13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.018 3.921 -15.528 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.825 4.924 -14.729 1.00 0.00 H new ATOM 0 HG LEU A 24 1.505 5.752 -16.969 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.809 8.102 -16.296 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.575 7.286 -15.306 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.201 7.574 -14.643 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.706 6.830 -17.225 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.173 6.252 -15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.858 5.084 -16.914 1.00 0.00 H new ATOM 326 N LEU A 25 2.182 2.894 -12.637 1.00 0.00 N ATOM 327 CA LEU A 25 1.579 2.081 -11.587 1.00 0.00 C ATOM 328 C LEU A 25 2.440 0.859 -11.282 1.00 0.00 C ATOM 329 O LEU A 25 3.312 0.490 -12.069 1.00 0.00 O ATOM 330 CB LEU A 25 0.174 1.638 -12.000 1.00 0.00 C ATOM 331 CG LEU A 25 0.079 0.293 -12.719 1.00 0.00 C ATOM 332 CD1 LEU A 25 -0.111 -0.836 -11.718 1.00 0.00 C ATOM 333 CD2 LEU A 25 -1.059 0.308 -13.730 1.00 0.00 C ATOM 0 H LEU A 25 2.684 2.361 -13.347 1.00 0.00 H new ATOM 0 HA LEU A 25 1.511 2.690 -10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.449 1.594 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.251 2.405 -12.648 1.00 0.00 H new ATOM 0 HG LEU A 25 1.013 0.123 -13.255 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.177 -1.786 -12.249 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.736 -0.861 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.029 -0.672 -11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.112 -0.658 -14.233 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.000 0.501 -13.215 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.881 1.091 -14.467 1.00 0.00 H new ATOM 345 N TYR A 26 2.188 0.235 -10.137 1.00 0.00 N ATOM 346 CA TYR A 26 2.940 -0.945 -9.728 1.00 0.00 C ATOM 347 C TYR A 26 2.000 -2.087 -9.351 1.00 0.00 C ATOM 348 O TYR A 26 1.162 -1.947 -8.461 1.00 0.00 O ATOM 349 CB TYR A 26 3.853 -0.610 -8.548 1.00 0.00 C ATOM 350 CG TYR A 26 5.049 0.233 -8.928 1.00 0.00 C ATOM 351 CD1 TYR A 26 4.955 1.618 -8.996 1.00 0.00 C ATOM 352 CD2 TYR A 26 6.275 -0.355 -9.218 1.00 0.00 C ATOM 353 CE1 TYR A 26 6.044 2.392 -9.343 1.00 0.00 C ATOM 354 CE2 TYR A 26 7.370 0.412 -9.565 1.00 0.00 C ATOM 355 CZ TYR A 26 7.250 1.785 -9.627 1.00 0.00 C ATOM 356 OH TYR A 26 8.338 2.553 -9.972 1.00 0.00 O ATOM 0 H TYR A 26 1.469 0.527 -9.475 1.00 0.00 H new ATOM 0 HA TYR A 26 3.551 -1.265 -10.572 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.274 -0.083 -7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.202 -1.538 -8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.013 2.097 -8.773 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.373 -1.430 -9.171 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.952 3.467 -9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.315 -0.061 -9.787 1.00 0.00 H new ATOM 0 HH TYR A 26 8.499 2.478 -10.936 1.00 0.00 H new ATOM 366 N TYR A 27 2.148 -3.216 -10.035 1.00 0.00 N ATOM 367 CA TYR A 27 1.312 -4.382 -9.774 1.00 0.00 C ATOM 368 C TYR A 27 1.828 -5.163 -8.569 1.00 0.00 C ATOM 369 O TYR A 27 2.920 -5.729 -8.603 1.00 0.00 O ATOM 370 CB TYR A 27 1.270 -5.290 -11.004 1.00 0.00 C ATOM 371 CG TYR A 27 0.263 -4.854 -12.044 1.00 0.00 C ATOM 372 CD1 TYR A 27 0.605 -3.931 -13.025 1.00 0.00 C ATOM 373 CD2 TYR A 27 -1.029 -5.363 -12.046 1.00 0.00 C ATOM 374 CE1 TYR A 27 -0.311 -3.528 -13.977 1.00 0.00 C ATOM 375 CE2 TYR A 27 -1.952 -4.967 -12.995 1.00 0.00 C ATOM 376 CZ TYR A 27 -1.588 -4.050 -13.959 1.00 0.00 C ATOM 377 OH TYR A 27 -2.504 -3.652 -14.905 1.00 0.00 O ATOM 0 H TYR A 27 2.839 -3.349 -10.774 1.00 0.00 H new ATOM 0 HA TYR A 27 0.303 -4.033 -9.553 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.260 -5.318 -11.459 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.036 -6.306 -10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.604 -3.522 -13.043 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.317 -6.081 -11.293 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.029 -2.808 -14.731 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.953 -5.373 -12.982 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.354 -4.115 -14.752 1.00 0.00 H new ATOM 387 N ILE A 28 1.032 -5.188 -7.504 1.00 0.00 N ATOM 388 CA ILE A 28 1.406 -5.901 -6.289 1.00 0.00 C ATOM 389 C ILE A 28 1.144 -7.397 -6.426 1.00 0.00 C ATOM 390 O ILE A 28 -0.004 -7.841 -6.415 1.00 0.00 O ATOM 391 CB ILE A 28 0.639 -5.366 -5.065 1.00 0.00 C ATOM 392 CG1 ILE A 28 0.914 -3.873 -4.875 1.00 0.00 C ATOM 393 CG2 ILE A 28 1.025 -6.145 -3.816 1.00 0.00 C ATOM 394 CD1 ILE A 28 0.841 -3.424 -3.432 1.00 0.00 C ATOM 0 H ILE A 28 0.125 -4.723 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 28 2.473 -5.735 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.429 -5.500 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.903 -3.641 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.195 -3.302 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.475 -5.755 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.782 -7.198 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.095 -6.040 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.047 -2.355 -3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.156 -3.624 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.579 -3.969 -2.844 1.00 0.00 H new ATOM 406 N LYS A 29 2.217 -8.170 -6.553 1.00 0.00 N ATOM 407 CA LYS A 29 2.105 -9.618 -6.688 1.00 0.00 C ATOM 408 C LYS A 29 1.273 -10.208 -5.554 1.00 0.00 C ATOM 409 O LYS A 29 0.722 -9.477 -4.731 1.00 0.00 O ATOM 410 CB LYS A 29 3.495 -10.258 -6.702 1.00 0.00 C ATOM 411 CG LYS A 29 4.326 -9.935 -5.473 1.00 0.00 C ATOM 412 CD LYS A 29 5.147 -8.672 -5.671 1.00 0.00 C ATOM 413 CE LYS A 29 6.446 -8.722 -4.881 1.00 0.00 C ATOM 414 NZ LYS A 29 6.892 -7.365 -4.461 1.00 0.00 N ATOM 0 H LYS A 29 3.174 -7.818 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 29 1.603 -9.832 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.387 -11.340 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.031 -9.924 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.670 -9.812 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.990 -10.771 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.369 -8.543 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.564 -7.805 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.311 -9.349 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.222 -9.188 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.822 -7.432 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.964 -6.749 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.203 -6.964 -3.793 1.00 0.00 H new ATOM 428 N ASP A 30 1.187 -11.533 -5.518 1.00 0.00 N ATOM 429 CA ASP A 30 0.424 -12.221 -4.483 1.00 0.00 C ATOM 430 C ASP A 30 1.349 -12.783 -3.408 1.00 0.00 C ATOM 431 O ASP A 30 1.638 -13.979 -3.387 1.00 0.00 O ATOM 432 CB ASP A 30 -0.408 -13.348 -5.097 1.00 0.00 C ATOM 433 CG ASP A 30 0.379 -14.169 -6.100 1.00 0.00 C ATOM 434 OD1 ASP A 30 1.051 -15.134 -5.680 1.00 0.00 O ATOM 435 OD2 ASP A 30 0.325 -13.845 -7.305 1.00 0.00 O ATOM 0 H ASP A 30 1.636 -12.152 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.245 -11.497 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.772 -14.001 -4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.284 -12.923 -5.587 1.00 0.00 H new ATOM 440 N GLY A 31 1.813 -11.911 -2.518 1.00 0.00 N ATOM 441 CA GLY A 31 2.702 -12.338 -1.454 1.00 0.00 C ATOM 442 C GLY A 31 3.096 -11.199 -0.535 1.00 0.00 C ATOM 443 O GLY A 31 2.243 -10.593 0.115 1.00 0.00 O ATOM 0 H GLY A 31 1.589 -10.916 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.216 -13.120 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.600 -12.777 -1.889 1.00 0.00 H new ATOM 447 N ILE A 32 4.391 -10.907 -0.480 1.00 0.00 N ATOM 448 CA ILE A 32 4.896 -9.833 0.367 1.00 0.00 C ATOM 449 C ILE A 32 5.511 -8.716 -0.470 1.00 0.00 C ATOM 450 O ILE A 32 6.402 -8.955 -1.287 1.00 0.00 O ATOM 451 CB ILE A 32 5.949 -10.350 1.365 1.00 0.00 C ATOM 452 CG1 ILE A 32 5.294 -11.267 2.400 1.00 0.00 C ATOM 453 CG2 ILE A 32 6.649 -9.185 2.047 1.00 0.00 C ATOM 454 CD1 ILE A 32 4.476 -12.382 1.789 1.00 0.00 C ATOM 0 H ILE A 32 5.109 -11.399 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 32 4.043 -9.442 0.922 1.00 0.00 H new ATOM 0 HB ILE A 32 6.696 -10.926 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.069 -11.701 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.652 -10.670 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.390 -9.567 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.144 -8.568 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.916 -8.584 2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.042 -12.991 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.678 -11.956 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.117 -13.003 1.164 1.00 0.00 H new ATOM 466 N THR A 33 5.031 -7.494 -0.261 1.00 0.00 N ATOM 467 CA THR A 33 5.534 -6.340 -0.995 1.00 0.00 C ATOM 468 C THR A 33 5.978 -5.234 -0.044 1.00 0.00 C ATOM 469 O THR A 33 5.157 -4.467 0.458 1.00 0.00 O ATOM 470 CB THR A 33 4.468 -5.778 -1.955 1.00 0.00 C ATOM 471 OG1 THR A 33 4.101 -6.773 -2.916 1.00 0.00 O ATOM 472 CG2 THR A 33 4.986 -4.540 -2.673 1.00 0.00 C ATOM 0 H THR A 33 4.294 -7.278 0.411 1.00 0.00 H new ATOM 0 HA THR A 33 6.391 -6.683 -1.575 1.00 0.00 H new ATOM 0 HB THR A 33 3.593 -5.500 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.373 -7.322 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.216 -4.161 -3.345 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.238 -3.773 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.875 -4.798 -3.248 1.00 0.00 H new ATOM 480 N ARG A 34 7.282 -5.158 0.200 1.00 0.00 N ATOM 481 CA ARG A 34 7.836 -4.146 1.091 1.00 0.00 C ATOM 482 C ARG A 34 8.057 -2.831 0.350 1.00 0.00 C ATOM 483 O ARG A 34 8.644 -2.807 -0.732 1.00 0.00 O ATOM 484 CB ARG A 34 9.155 -4.633 1.694 1.00 0.00 C ATOM 485 CG ARG A 34 8.997 -5.825 2.623 1.00 0.00 C ATOM 486 CD ARG A 34 10.087 -5.854 3.683 1.00 0.00 C ATOM 487 NE ARG A 34 10.033 -7.069 4.492 1.00 0.00 N ATOM 488 CZ ARG A 34 11.075 -7.556 5.157 1.00 0.00 C ATOM 489 NH1 ARG A 34 12.245 -6.934 5.111 1.00 0.00 N ATOM 490 NH2 ARG A 34 10.946 -8.666 5.871 1.00 0.00 N ATOM 0 H ARG A 34 7.975 -5.786 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 34 7.119 -3.974 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.837 -4.900 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.618 -3.813 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.020 -5.785 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.028 -6.747 2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.062 -5.782 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.986 -4.983 4.330 1.00 0.00 H new ATOM 0 HE ARG A 34 9.147 -7.571 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.347 -6.079 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.043 -7.310 5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.047 -9.146 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.746 -9.040 6.382 1.00 0.00 H new ATOM 504 N VAL A 35 7.583 -1.738 0.940 1.00 0.00 N ATOM 505 CA VAL A 35 7.729 -0.419 0.337 1.00 0.00 C ATOM 506 C VAL A 35 8.765 0.415 1.083 1.00 0.00 C ATOM 507 O VAL A 35 8.498 0.928 2.168 1.00 0.00 O ATOM 508 CB VAL A 35 6.390 0.342 0.319 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.499 1.594 -0.538 1.00 0.00 C ATOM 510 CG2 VAL A 35 5.272 -0.561 -0.181 1.00 0.00 C ATOM 0 H VAL A 35 7.094 -1.740 1.835 1.00 0.00 H new ATOM 0 HA VAL A 35 8.063 -0.576 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 35 6.151 0.648 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.544 2.119 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.271 2.247 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.760 1.315 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.333 -0.008 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.501 -0.898 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.180 -1.425 0.478 1.00 0.00 H new ATOM 520 N GLY A 36 9.949 0.545 0.492 1.00 0.00 N ATOM 521 CA GLY A 36 11.007 1.319 1.115 1.00 0.00 C ATOM 522 C GLY A 36 12.149 1.611 0.162 1.00 0.00 C ATOM 523 O GLY A 36 11.928 1.854 -1.024 1.00 0.00 O ATOM 0 H GLY A 36 10.194 0.129 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.596 2.259 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.389 0.777 1.980 1.00 0.00 H new ATOM 527 N GLN A 37 13.372 1.591 0.682 1.00 0.00 N ATOM 528 CA GLN A 37 14.552 1.859 -0.132 1.00 0.00 C ATOM 529 C GLN A 37 15.277 0.564 -0.483 1.00 0.00 C ATOM 530 O GLN A 37 15.062 -0.470 0.150 1.00 0.00 O ATOM 531 CB GLN A 37 15.501 2.805 0.605 1.00 0.00 C ATOM 532 CG GLN A 37 14.851 4.112 1.028 1.00 0.00 C ATOM 533 CD GLN A 37 15.749 4.952 1.915 1.00 0.00 C ATOM 534 OE1 GLN A 37 16.969 4.782 1.920 1.00 0.00 O ATOM 535 NE2 GLN A 37 15.150 5.864 2.671 1.00 0.00 N ATOM 0 H GLN A 37 13.572 1.392 1.662 1.00 0.00 H new ATOM 0 HA GLN A 37 14.224 2.332 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.890 2.300 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.353 3.024 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.586 4.685 0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.923 3.897 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.136 5.970 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.704 6.458 3.288 1.00 0.00 H new ATOM 544 N ALA A 38 16.136 0.628 -1.495 1.00 0.00 N ATOM 545 CA ALA A 38 16.894 -0.539 -1.929 1.00 0.00 C ATOM 546 C ALA A 38 17.931 -0.940 -0.885 1.00 0.00 C ATOM 547 O ALA A 38 18.420 -2.069 -0.883 1.00 0.00 O ATOM 548 CB ALA A 38 17.566 -0.265 -3.266 1.00 0.00 C ATOM 0 H ALA A 38 16.324 1.476 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 38 16.198 -1.369 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.128 -1.145 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.807 -0.035 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.244 0.582 -3.165 1.00 0.00 H new ATOM 554 N ASP A 39 18.262 -0.007 0.001 1.00 0.00 N ATOM 555 CA ASP A 39 19.241 -0.262 1.051 1.00 0.00 C ATOM 556 C ASP A 39 18.695 -1.254 2.073 1.00 0.00 C ATOM 557 O ASP A 39 19.424 -2.112 2.570 1.00 0.00 O ATOM 558 CB ASP A 39 19.629 1.044 1.745 1.00 0.00 C ATOM 559 CG ASP A 39 20.811 1.724 1.081 1.00 0.00 C ATOM 560 OD1 ASP A 39 21.155 1.339 -0.056 1.00 0.00 O ATOM 561 OD2 ASP A 39 21.390 2.642 1.698 1.00 0.00 O ATOM 0 H ASP A 39 17.866 0.933 0.013 1.00 0.00 H new ATOM 0 HA ASP A 39 20.128 -0.695 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 39 18.775 1.721 1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.870 0.840 2.788 1.00 0.00 H new ATOM 566 N ALA A 40 17.409 -1.128 2.383 1.00 0.00 N ATOM 567 CA ALA A 40 16.765 -2.013 3.346 1.00 0.00 C ATOM 568 C ALA A 40 17.350 -3.420 3.275 1.00 0.00 C ATOM 569 O ALA A 40 17.528 -3.974 2.191 1.00 0.00 O ATOM 570 CB ALA A 40 15.264 -2.052 3.106 1.00 0.00 C ATOM 0 H ALA A 40 16.792 -0.422 1.981 1.00 0.00 H new ATOM 0 HA ALA A 40 16.952 -1.619 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.797 -2.717 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.852 -1.049 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 40 15.066 -2.419 2.099 1.00 0.00 H new ATOM 576 N GLU A 41 17.649 -3.991 4.438 1.00 0.00 N ATOM 577 CA GLU A 41 18.216 -5.333 4.506 1.00 0.00 C ATOM 578 C GLU A 41 17.644 -6.221 3.405 1.00 0.00 C ATOM 579 O GLU A 41 18.336 -7.088 2.870 1.00 0.00 O ATOM 580 CB GLU A 41 17.940 -5.958 5.875 1.00 0.00 C ATOM 581 CG GLU A 41 17.965 -4.957 7.018 1.00 0.00 C ATOM 582 CD GLU A 41 18.256 -5.606 8.356 1.00 0.00 C ATOM 583 OE1 GLU A 41 17.298 -6.055 9.019 1.00 0.00 O ATOM 584 OE2 GLU A 41 19.443 -5.666 8.741 1.00 0.00 O ATOM 0 H GLU A 41 17.508 -3.546 5.345 1.00 0.00 H new ATOM 0 HA GLU A 41 19.293 -5.253 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.966 -6.446 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 41 18.681 -6.734 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.721 -4.198 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.004 -4.445 7.068 1.00 0.00 H new ATOM 591 N ARG A 42 16.377 -5.999 3.072 1.00 0.00 N ATOM 592 CA ARG A 42 15.711 -6.780 2.036 1.00 0.00 C ATOM 593 C ARG A 42 15.232 -5.881 0.900 1.00 0.00 C ATOM 594 O ARG A 42 14.239 -5.166 1.038 1.00 0.00 O ATOM 595 CB ARG A 42 14.527 -7.547 2.627 1.00 0.00 C ATOM 596 CG ARG A 42 14.927 -8.826 3.345 1.00 0.00 C ATOM 597 CD ARG A 42 15.223 -9.947 2.362 1.00 0.00 C ATOM 598 NE ARG A 42 16.031 -11.005 2.965 1.00 0.00 N ATOM 599 CZ ARG A 42 16.131 -12.230 2.462 1.00 0.00 C ATOM 600 NH1 ARG A 42 15.479 -12.550 1.353 1.00 0.00 N ATOM 601 NH2 ARG A 42 16.886 -13.137 3.068 1.00 0.00 N ATOM 0 H ARG A 42 15.791 -5.285 3.504 1.00 0.00 H new ATOM 0 HA ARG A 42 16.432 -7.492 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.997 -6.899 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.828 -7.793 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.807 -8.639 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.126 -9.133 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 42 14.285 -10.369 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.745 -9.541 1.496 1.00 0.00 H new ATOM 0 HE ARG A 42 16.546 -10.791 3.819 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.899 -11.855 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.558 -13.492 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 42 17.390 -12.894 3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.962 -14.078 2.681 1.00 0.00 H new ATOM 615 N ARG A 43 15.945 -5.921 -0.221 1.00 0.00 N ATOM 616 CA ARG A 43 15.594 -5.108 -1.379 1.00 0.00 C ATOM 617 C ARG A 43 14.080 -4.967 -1.505 1.00 0.00 C ATOM 618 O ARG A 43 13.405 -5.857 -2.021 1.00 0.00 O ATOM 619 CB ARG A 43 16.167 -5.728 -2.655 1.00 0.00 C ATOM 620 CG ARG A 43 15.626 -5.103 -3.931 1.00 0.00 C ATOM 621 CD ARG A 43 16.512 -5.419 -5.126 1.00 0.00 C ATOM 622 NE ARG A 43 16.089 -4.703 -6.326 1.00 0.00 N ATOM 623 CZ ARG A 43 16.654 -4.867 -7.517 1.00 0.00 C ATOM 624 NH1 ARG A 43 17.660 -5.717 -7.666 1.00 0.00 N ATOM 625 NH2 ARG A 43 16.212 -4.179 -8.563 1.00 0.00 N ATOM 0 H ARG A 43 16.769 -6.508 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 43 16.024 -4.116 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.252 -5.627 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 43 15.946 -6.795 -2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.617 -5.470 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.554 -4.023 -3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 43 17.544 -5.156 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.492 -6.492 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 43 15.317 -4.041 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 43 18.002 -6.247 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.092 -5.841 -8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.438 -3.524 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.646 -4.306 -9.477 1.00 0.00 H new ATOM 639 N GLN A 44 13.555 -3.842 -1.030 1.00 0.00 N ATOM 640 CA GLN A 44 12.121 -3.585 -1.088 1.00 0.00 C ATOM 641 C GLN A 44 11.599 -3.732 -2.514 1.00 0.00 C ATOM 642 O GLN A 44 12.376 -3.789 -3.467 1.00 0.00 O ATOM 643 CB GLN A 44 11.810 -2.183 -0.561 1.00 0.00 C ATOM 644 CG GLN A 44 12.421 -1.896 0.801 1.00 0.00 C ATOM 645 CD GLN A 44 11.958 -2.872 1.865 1.00 0.00 C ATOM 646 OE1 GLN A 44 12.230 -4.071 1.785 1.00 0.00 O ATOM 647 NE2 GLN A 44 11.254 -2.364 2.870 1.00 0.00 N ATOM 0 H GLN A 44 14.101 -3.095 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 44 11.620 -4.321 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.175 -1.446 -1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.729 -2.059 -0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.507 -1.937 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.161 -0.882 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.051 -1.365 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.916 -2.973 3.615 1.00 0.00 H new ATOM 656 N ASP A 45 10.279 -3.794 -2.652 1.00 0.00 N ATOM 657 CA ASP A 45 9.653 -3.934 -3.962 1.00 0.00 C ATOM 658 C ASP A 45 9.673 -2.609 -4.718 1.00 0.00 C ATOM 659 O ASP A 45 10.168 -2.532 -5.842 1.00 0.00 O ATOM 660 CB ASP A 45 8.214 -4.430 -3.812 1.00 0.00 C ATOM 661 CG ASP A 45 7.218 -3.291 -3.705 1.00 0.00 C ATOM 662 OD1 ASP A 45 7.249 -2.571 -2.685 1.00 0.00 O ATOM 663 OD2 ASP A 45 6.408 -3.121 -4.640 1.00 0.00 O ATOM 0 H ASP A 45 9.622 -3.750 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 45 10.223 -4.666 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.957 -5.055 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.140 -5.058 -2.925 1.00 0.00 H new ATOM 668 N ILE A 46 9.129 -1.570 -4.093 1.00 0.00 N ATOM 669 CA ILE A 46 9.084 -0.249 -4.707 1.00 0.00 C ATOM 670 C ILE A 46 10.073 0.702 -4.039 1.00 0.00 C ATOM 671 O ILE A 46 9.923 1.048 -2.868 1.00 0.00 O ATOM 672 CB ILE A 46 7.672 0.360 -4.630 1.00 0.00 C ATOM 673 CG1 ILE A 46 6.780 -0.226 -5.726 1.00 0.00 C ATOM 674 CG2 ILE A 46 7.741 1.875 -4.749 1.00 0.00 C ATOM 675 CD1 ILE A 46 5.316 -0.279 -5.349 1.00 0.00 C ATOM 0 H ILE A 46 8.714 -1.618 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 46 9.358 -0.378 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 46 7.237 0.111 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.892 0.370 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.123 -1.233 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.735 2.291 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.345 2.277 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.192 2.145 -5.704 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.743 -0.705 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.191 -0.899 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.957 0.729 -5.141 1.00 0.00 H new ATOM 687 N VAL A 47 11.083 1.122 -4.794 1.00 0.00 N ATOM 688 CA VAL A 47 12.095 2.035 -4.277 1.00 0.00 C ATOM 689 C VAL A 47 11.666 3.487 -4.452 1.00 0.00 C ATOM 690 O VAL A 47 11.362 3.927 -5.561 1.00 0.00 O ATOM 691 CB VAL A 47 13.451 1.824 -4.976 1.00 0.00 C ATOM 692 CG1 VAL A 47 14.558 2.551 -4.227 1.00 0.00 C ATOM 693 CG2 VAL A 47 13.763 0.340 -5.097 1.00 0.00 C ATOM 0 H VAL A 47 11.222 0.845 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 47 12.205 1.817 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 47 13.390 2.242 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.508 2.390 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 47 14.338 3.618 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 47 14.622 2.166 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.725 0.210 -5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 47 13.804 -0.105 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.984 -0.149 -5.682 1.00 0.00 H new ATOM 703 N LEU A 48 11.644 4.228 -3.349 1.00 0.00 N ATOM 704 CA LEU A 48 11.252 5.633 -3.380 1.00 0.00 C ATOM 705 C LEU A 48 12.454 6.539 -3.135 1.00 0.00 C ATOM 706 O LEU A 48 13.484 6.097 -2.626 1.00 0.00 O ATOM 707 CB LEU A 48 10.172 5.905 -2.331 1.00 0.00 C ATOM 708 CG LEU A 48 8.920 5.030 -2.414 1.00 0.00 C ATOM 709 CD1 LEU A 48 8.163 5.304 -3.704 1.00 0.00 C ATOM 710 CD2 LEU A 48 9.291 3.558 -2.313 1.00 0.00 C ATOM 0 H LEU A 48 11.893 3.880 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 48 10.851 5.851 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.614 5.779 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.868 6.948 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 48 8.269 5.278 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.275 4.673 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.865 6.352 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.805 5.084 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.388 2.950 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.961 3.295 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.790 3.373 -1.362 1.00 0.00 H new ATOM 722 N SER A 49 12.315 7.810 -3.498 1.00 0.00 N ATOM 723 CA SER A 49 13.390 8.779 -3.320 1.00 0.00 C ATOM 724 C SER A 49 13.084 9.722 -2.160 1.00 0.00 C ATOM 725 O SER A 49 11.932 9.875 -1.757 1.00 0.00 O ATOM 726 CB SER A 49 13.600 9.582 -4.604 1.00 0.00 C ATOM 727 OG SER A 49 14.260 8.806 -5.589 1.00 0.00 O ATOM 0 H SER A 49 11.468 8.193 -3.917 1.00 0.00 H new ATOM 0 HA SER A 49 14.304 8.232 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.637 9.919 -4.987 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.187 10.475 -4.387 1.00 0.00 H new ATOM 0 HG SER A 49 14.381 9.342 -6.401 1.00 0.00 H new ATOM 733 N GLY A 50 14.127 10.353 -1.628 1.00 0.00 N ATOM 734 CA GLY A 50 13.950 11.274 -0.521 1.00 0.00 C ATOM 735 C GLY A 50 14.503 10.728 0.781 1.00 0.00 C ATOM 736 O GLY A 50 14.830 9.546 0.877 1.00 0.00 O ATOM 0 H GLY A 50 15.091 10.243 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.444 12.217 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.889 11.491 -0.399 1.00 0.00 H new ATOM 740 N ALA A 51 14.609 11.592 1.785 1.00 0.00 N ATOM 741 CA ALA A 51 15.126 11.189 3.087 1.00 0.00 C ATOM 742 C ALA A 51 13.993 10.799 4.031 1.00 0.00 C ATOM 743 O ALA A 51 14.129 9.872 4.830 1.00 0.00 O ATOM 744 CB ALA A 51 15.958 12.309 3.694 1.00 0.00 C ATOM 0 H ALA A 51 14.344 12.575 1.722 1.00 0.00 H new ATOM 0 HA ALA A 51 15.762 10.315 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.338 11.994 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.795 12.539 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 51 15.338 13.197 3.817 1.00 0.00 H new ATOM 750 N HIS A 52 12.876 11.512 3.934 1.00 0.00 N ATOM 751 CA HIS A 52 11.719 11.239 4.779 1.00 0.00 C ATOM 752 C HIS A 52 11.305 9.774 4.677 1.00 0.00 C ATOM 753 O HIS A 52 10.577 9.264 5.530 1.00 0.00 O ATOM 754 CB HIS A 52 10.549 12.141 4.384 1.00 0.00 C ATOM 755 CG HIS A 52 10.613 13.507 4.994 1.00 0.00 C ATOM 756 ND1 HIS A 52 10.214 14.647 4.329 1.00 0.00 N ATOM 757 CD2 HIS A 52 11.033 13.913 6.215 1.00 0.00 C ATOM 758 CE1 HIS A 52 10.386 15.696 5.114 1.00 0.00 C ATOM 759 NE2 HIS A 52 10.882 15.277 6.265 1.00 0.00 N ATOM 0 H HIS A 52 12.747 12.283 3.279 1.00 0.00 H new ATOM 0 HA HIS A 52 11.997 11.448 5.812 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.526 12.238 3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.616 11.663 4.681 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.416 13.282 7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.160 16.721 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.115 15.870 7.061 1.00 0.00 H new ATOM 767 N ILE A 53 11.771 9.104 3.630 1.00 0.00 N ATOM 768 CA ILE A 53 11.450 7.698 3.418 1.00 0.00 C ATOM 769 C ILE A 53 12.311 6.798 4.297 1.00 0.00 C ATOM 770 O ILE A 53 13.454 7.129 4.612 1.00 0.00 O ATOM 771 CB ILE A 53 11.642 7.293 1.944 1.00 0.00 C ATOM 772 CG1 ILE A 53 10.682 8.077 1.047 1.00 0.00 C ATOM 773 CG2 ILE A 53 11.429 5.796 1.775 1.00 0.00 C ATOM 774 CD1 ILE A 53 9.243 8.026 1.511 1.00 0.00 C ATOM 0 H ILE A 53 12.373 9.512 2.914 1.00 0.00 H new ATOM 0 HA ILE A 53 10.402 7.570 3.688 1.00 0.00 H new ATOM 0 HB ILE A 53 12.663 7.532 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.005 9.117 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.742 7.683 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.568 5.525 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.149 5.254 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.418 5.535 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.620 8.603 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.902 6.991 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.169 8.447 2.514 1.00 0.00 H new ATOM 786 N LYS A 54 11.755 5.657 4.690 1.00 0.00 N ATOM 787 CA LYS A 54 12.472 4.706 5.531 1.00 0.00 C ATOM 788 C LYS A 54 12.612 3.358 4.830 1.00 0.00 C ATOM 789 O LYS A 54 11.760 2.974 4.030 1.00 0.00 O ATOM 790 CB LYS A 54 11.746 4.526 6.866 1.00 0.00 C ATOM 791 CG LYS A 54 11.341 5.836 7.519 1.00 0.00 C ATOM 792 CD LYS A 54 12.491 6.829 7.538 1.00 0.00 C ATOM 793 CE LYS A 54 12.369 7.801 8.701 1.00 0.00 C ATOM 794 NZ LYS A 54 11.220 8.732 8.528 1.00 0.00 N ATOM 0 H LYS A 54 10.809 5.368 4.439 1.00 0.00 H new ATOM 0 HA LYS A 54 13.469 5.104 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.855 3.918 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.391 3.973 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.497 6.266 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.006 5.647 8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.436 6.291 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.510 7.383 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.248 7.243 9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.291 8.375 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.447 9.649 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.033 8.867 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.376 8.331 8.985 1.00 0.00 H new ATOM 808 N GLU A 55 13.690 2.644 5.139 1.00 0.00 N ATOM 809 CA GLU A 55 13.940 1.339 4.539 1.00 0.00 C ATOM 810 C GLU A 55 12.682 0.475 4.575 1.00 0.00 C ATOM 811 O GLU A 55 12.433 -0.314 3.664 1.00 0.00 O ATOM 812 CB GLU A 55 15.082 0.628 5.267 1.00 0.00 C ATOM 813 CG GLU A 55 14.622 -0.215 6.445 1.00 0.00 C ATOM 814 CD GLU A 55 14.072 0.624 7.582 1.00 0.00 C ATOM 815 OE1 GLU A 55 14.368 1.836 7.624 1.00 0.00 O ATOM 816 OE2 GLU A 55 13.344 0.067 8.431 1.00 0.00 O ATOM 0 H GLU A 55 14.404 2.947 5.801 1.00 0.00 H new ATOM 0 HA GLU A 55 14.224 1.494 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.611 -0.010 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.795 1.372 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.855 -0.914 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.459 -0.811 6.810 1.00 0.00 H new ATOM 823 N GLU A 56 11.895 0.630 5.635 1.00 0.00 N ATOM 824 CA GLU A 56 10.665 -0.137 5.790 1.00 0.00 C ATOM 825 C GLU A 56 9.486 0.781 6.100 1.00 0.00 C ATOM 826 O GLU A 56 8.629 0.454 6.921 1.00 0.00 O ATOM 827 CB GLU A 56 10.822 -1.176 6.902 1.00 0.00 C ATOM 828 CG GLU A 56 11.507 -2.455 6.448 1.00 0.00 C ATOM 829 CD GLU A 56 12.076 -3.254 7.605 1.00 0.00 C ATOM 830 OE1 GLU A 56 12.200 -2.690 8.712 1.00 0.00 O ATOM 831 OE2 GLU A 56 12.397 -4.443 7.401 1.00 0.00 O ATOM 0 H GLU A 56 12.087 1.279 6.398 1.00 0.00 H new ATOM 0 HA GLU A 56 10.466 -0.650 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.395 -0.737 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.837 -1.422 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.793 -3.071 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.309 -2.206 5.754 1.00 0.00 H new ATOM 838 N HIS A 57 9.451 1.933 5.439 1.00 0.00 N ATOM 839 CA HIS A 57 8.378 2.900 5.643 1.00 0.00 C ATOM 840 C HIS A 57 7.036 2.195 5.809 1.00 0.00 C ATOM 841 O HIS A 57 6.235 2.559 6.671 1.00 0.00 O ATOM 842 CB HIS A 57 8.313 3.877 4.469 1.00 0.00 C ATOM 843 CG HIS A 57 7.628 5.167 4.800 1.00 0.00 C ATOM 844 ND1 HIS A 57 8.294 6.263 5.307 1.00 0.00 N ATOM 845 CD2 HIS A 57 6.330 5.534 4.693 1.00 0.00 C ATOM 846 CE1 HIS A 57 7.434 7.248 5.499 1.00 0.00 C ATOM 847 NE2 HIS A 57 6.235 6.831 5.134 1.00 0.00 N ATOM 0 H HIS A 57 10.153 2.220 4.757 1.00 0.00 H new ATOM 0 HA HIS A 57 8.592 3.456 6.556 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.326 4.090 4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.791 3.401 3.639 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.519 4.921 4.328 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.671 8.227 5.888 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.378 7.383 5.173 1.00 0.00 H new ATOM 856 N CYS A 58 6.796 1.186 4.979 1.00 0.00 N ATOM 857 CA CYS A 58 5.549 0.431 5.033 1.00 0.00 C ATOM 858 C CYS A 58 5.651 -0.846 4.204 1.00 0.00 C ATOM 859 O CYS A 58 6.656 -1.084 3.534 1.00 0.00 O ATOM 860 CB CYS A 58 4.387 1.289 4.531 1.00 0.00 C ATOM 861 SG CYS A 58 2.772 0.794 5.176 1.00 0.00 S ATOM 0 H CYS A 58 7.448 0.872 4.261 1.00 0.00 H new ATOM 0 HA CYS A 58 5.364 0.155 6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.572 2.328 4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.361 1.245 3.442 1.00 0.00 H new ATOM 0 HG CYS A 58 2.378 -0.289 4.574 1.00 0.00 H new ATOM 867 N ILE A 59 4.604 -1.663 4.256 1.00 0.00 N ATOM 868 CA ILE A 59 4.576 -2.915 3.510 1.00 0.00 C ATOM 869 C ILE A 59 3.169 -3.226 3.011 1.00 0.00 C ATOM 870 O ILE A 59 2.194 -2.615 3.449 1.00 0.00 O ATOM 871 CB ILE A 59 5.077 -4.092 4.368 1.00 0.00 C ATOM 872 CG1 ILE A 59 6.408 -3.736 5.034 1.00 0.00 C ATOM 873 CG2 ILE A 59 5.223 -5.344 3.515 1.00 0.00 C ATOM 874 CD1 ILE A 59 6.773 -4.652 6.181 1.00 0.00 C ATOM 0 H ILE A 59 3.765 -1.480 4.806 1.00 0.00 H new ATOM 0 HA ILE A 59 5.242 -2.789 2.656 1.00 0.00 H new ATOM 0 HB ILE A 59 4.344 -4.291 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.200 -3.770 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.359 -2.710 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.578 -6.167 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.257 -5.605 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.939 -5.158 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.728 -4.341 6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.000 -4.600 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.854 -5.676 5.817 1.00 0.00 H new ATOM 886 N PHE A 60 3.071 -4.183 2.094 1.00 0.00 N ATOM 887 CA PHE A 60 1.783 -4.577 1.536 1.00 0.00 C ATOM 888 C PHE A 60 1.677 -6.096 1.431 1.00 0.00 C ATOM 889 O PHE A 60 2.344 -6.719 0.605 1.00 0.00 O ATOM 890 CB PHE A 60 1.585 -3.944 0.157 1.00 0.00 C ATOM 891 CG PHE A 60 1.396 -2.455 0.203 1.00 0.00 C ATOM 892 CD1 PHE A 60 0.185 -1.909 0.594 1.00 0.00 C ATOM 893 CD2 PHE A 60 2.430 -1.601 -0.147 1.00 0.00 C ATOM 894 CE1 PHE A 60 0.007 -0.539 0.638 1.00 0.00 C ATOM 895 CE2 PHE A 60 2.259 -0.230 -0.105 1.00 0.00 C ATOM 896 CZ PHE A 60 1.046 0.302 0.286 1.00 0.00 C ATOM 0 H PHE A 60 3.868 -4.700 1.722 1.00 0.00 H new ATOM 0 HA PHE A 60 1.001 -4.221 2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.449 -4.174 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.717 -4.398 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.631 -2.562 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.380 -2.011 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.942 -0.126 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.073 0.425 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.909 1.373 0.317 1.00 0.00 H new ATOM 906 N ARG A 61 0.835 -6.684 2.274 1.00 0.00 N ATOM 907 CA ARG A 61 0.643 -8.129 2.278 1.00 0.00 C ATOM 908 C ARG A 61 -0.653 -8.508 1.567 1.00 0.00 C ATOM 909 O ARG A 61 -1.715 -7.958 1.858 1.00 0.00 O ATOM 910 CB ARG A 61 0.624 -8.659 3.713 1.00 0.00 C ATOM 911 CG ARG A 61 1.119 -10.090 3.841 1.00 0.00 C ATOM 912 CD ARG A 61 0.926 -10.622 5.253 1.00 0.00 C ATOM 913 NE ARG A 61 2.028 -10.246 6.135 1.00 0.00 N ATOM 914 CZ ARG A 61 2.027 -10.464 7.445 1.00 0.00 C ATOM 915 NH1 ARG A 61 0.989 -11.052 8.022 1.00 0.00 N ATOM 916 NH2 ARG A 61 3.067 -10.093 8.181 1.00 0.00 N ATOM 0 H ARG A 61 0.275 -6.182 2.963 1.00 0.00 H new ATOM 0 HA ARG A 61 1.477 -8.582 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.241 -8.013 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.393 -8.600 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.584 -10.726 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.175 -10.136 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.010 -10.240 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.840 -11.708 5.223 1.00 0.00 H new ATOM 0 HE ARG A 61 2.842 -9.791 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.188 -11.339 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.991 -11.218 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.868 -9.640 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.066 -10.261 9.187 1.00 0.00 H new ATOM 930 N SER A 62 -0.557 -9.449 0.634 1.00 0.00 N ATOM 931 CA SER A 62 -1.721 -9.898 -0.122 1.00 0.00 C ATOM 932 C SER A 62 -1.903 -11.407 0.007 1.00 0.00 C ATOM 933 O SER A 62 -1.089 -12.185 -0.488 1.00 0.00 O ATOM 934 CB SER A 62 -1.577 -9.514 -1.596 1.00 0.00 C ATOM 935 OG SER A 62 -1.594 -8.107 -1.760 1.00 0.00 O ATOM 0 H SER A 62 0.315 -9.916 0.383 1.00 0.00 H new ATOM 0 HA SER A 62 -2.603 -9.407 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.645 -9.918 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.387 -9.960 -2.172 1.00 0.00 H new ATOM 0 HG SER A 62 -1.499 -7.887 -2.710 1.00 0.00 H new ATOM 941 N GLU A 63 -2.978 -11.811 0.676 1.00 0.00 N ATOM 942 CA GLU A 63 -3.268 -13.227 0.871 1.00 0.00 C ATOM 943 C GLU A 63 -4.768 -13.493 0.786 1.00 0.00 C ATOM 944 O GLU A 63 -5.580 -12.671 1.212 1.00 0.00 O ATOM 945 CB GLU A 63 -2.732 -13.698 2.225 1.00 0.00 C ATOM 946 CG GLU A 63 -3.157 -15.111 2.589 1.00 0.00 C ATOM 947 CD GLU A 63 -4.534 -15.161 3.221 1.00 0.00 C ATOM 948 OE1 GLU A 63 -5.230 -14.124 3.213 1.00 0.00 O ATOM 949 OE2 GLU A 63 -4.917 -16.239 3.723 1.00 0.00 O ATOM 0 H GLU A 63 -3.662 -11.179 1.092 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.772 -13.785 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.643 -13.647 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.075 -13.013 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.150 -15.731 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.429 -15.539 3.278 1.00 0.00 H new ATOM 956 N ARG A 64 -5.128 -14.646 0.231 1.00 0.00 N ATOM 957 CA ARG A 64 -6.530 -15.019 0.087 1.00 0.00 C ATOM 958 C ARG A 64 -7.082 -15.575 1.397 1.00 0.00 C ATOM 959 O ARG A 64 -6.529 -16.516 1.966 1.00 0.00 O ATOM 960 CB ARG A 64 -6.692 -16.055 -1.027 1.00 0.00 C ATOM 961 CG ARG A 64 -8.024 -15.964 -1.754 1.00 0.00 C ATOM 962 CD ARG A 64 -8.143 -17.030 -2.833 1.00 0.00 C ATOM 963 NE ARG A 64 -7.571 -18.305 -2.409 1.00 0.00 N ATOM 964 CZ ARG A 64 -7.126 -19.228 -3.254 1.00 0.00 C ATOM 965 NH1 ARG A 64 -7.186 -19.018 -4.561 1.00 0.00 N ATOM 966 NH2 ARG A 64 -6.618 -20.363 -2.791 1.00 0.00 N ATOM 0 H ARG A 64 -4.469 -15.337 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.093 -14.123 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.885 -15.930 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.587 -17.053 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.839 -16.076 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.128 -14.976 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.193 -17.171 -3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.638 -16.689 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.510 -18.497 -1.409 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.575 -18.146 -4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.844 -19.728 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.569 -20.527 -1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.276 -21.071 -3.441 1.00 0.00 H new ATOM 980 N SER A 65 -8.175 -14.985 1.870 1.00 0.00 N ATOM 981 CA SER A 65 -8.799 -15.418 3.115 1.00 0.00 C ATOM 982 C SER A 65 -9.330 -16.842 2.990 1.00 0.00 C ATOM 983 O SER A 65 -9.197 -17.477 1.944 1.00 0.00 O ATOM 984 CB SER A 65 -9.938 -14.469 3.496 1.00 0.00 C ATOM 985 OG SER A 65 -10.348 -14.677 4.836 1.00 0.00 O ATOM 0 H SER A 65 -8.647 -14.206 1.410 1.00 0.00 H new ATOM 0 HA SER A 65 -8.041 -15.399 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.613 -13.436 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.784 -14.623 2.826 1.00 0.00 H new ATOM 0 HG SER A 65 -9.579 -14.960 5.373 1.00 0.00 H new ATOM 991 N ASN A 66 -9.933 -17.339 4.065 1.00 0.00 N ATOM 992 CA ASN A 66 -10.484 -18.689 4.077 1.00 0.00 C ATOM 993 C ASN A 66 -11.698 -18.790 3.159 1.00 0.00 C ATOM 994 O ASN A 66 -12.081 -19.880 2.736 1.00 0.00 O ATOM 995 CB ASN A 66 -10.873 -19.091 5.502 1.00 0.00 C ATOM 996 CG ASN A 66 -9.676 -19.517 6.329 1.00 0.00 C ATOM 997 OD1 ASN A 66 -8.530 -19.382 5.900 1.00 0.00 O ATOM 998 ND2 ASN A 66 -9.937 -20.036 7.524 1.00 0.00 N ATOM 0 H ASN A 66 -10.052 -16.827 4.939 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.716 -19.371 3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.369 -18.252 5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.593 -19.908 5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.172 -20.341 8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.902 -20.129 7.840 1.00 0.00 H new ATOM 1005 N SER A 67 -12.300 -17.644 2.855 1.00 0.00 N ATOM 1006 CA SER A 67 -13.473 -17.603 1.990 1.00 0.00 C ATOM 1007 C SER A 67 -13.063 -17.544 0.522 1.00 0.00 C ATOM 1008 O SER A 67 -13.909 -17.552 -0.371 1.00 0.00 O ATOM 1009 CB SER A 67 -14.345 -16.395 2.336 1.00 0.00 C ATOM 1010 OG SER A 67 -15.169 -16.665 3.457 1.00 0.00 O ATOM 0 H SER A 67 -11.995 -16.732 3.195 1.00 0.00 H new ATOM 0 HA SER A 67 -14.047 -18.515 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.711 -15.533 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.966 -16.133 1.479 1.00 0.00 H new ATOM 0 HG SER A 67 -15.715 -15.877 3.659 1.00 0.00 H new ATOM 1016 N GLY A 68 -11.757 -17.485 0.280 1.00 0.00 N ATOM 1017 CA GLY A 68 -11.256 -17.426 -1.080 1.00 0.00 C ATOM 1018 C GLY A 68 -11.172 -16.007 -1.606 1.00 0.00 C ATOM 1019 O GLY A 68 -10.878 -15.791 -2.782 1.00 0.00 O ATOM 0 H GLY A 68 -11.037 -17.477 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.268 -17.884 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.906 -18.013 -1.729 1.00 0.00 H new ATOM 1023 N GLU A 69 -11.433 -15.038 -0.734 1.00 0.00 N ATOM 1024 CA GLU A 69 -11.387 -13.632 -1.120 1.00 0.00 C ATOM 1025 C GLU A 69 -10.003 -13.043 -0.867 1.00 0.00 C ATOM 1026 O GLU A 69 -9.469 -13.134 0.238 1.00 0.00 O ATOM 1027 CB GLU A 69 -12.441 -12.835 -0.348 1.00 0.00 C ATOM 1028 CG GLU A 69 -11.952 -12.321 0.996 1.00 0.00 C ATOM 1029 CD GLU A 69 -13.088 -12.027 1.956 1.00 0.00 C ATOM 1030 OE1 GLU A 69 -13.890 -11.115 1.663 1.00 0.00 O ATOM 1031 OE2 GLU A 69 -13.175 -12.706 3.000 1.00 0.00 O ATOM 0 H GLU A 69 -11.678 -15.200 0.243 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.601 -13.567 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.762 -11.989 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.317 -13.465 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.286 -13.059 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.367 -11.414 0.843 1.00 0.00 H new ATOM 1038 N VAL A 70 -9.426 -12.439 -1.901 1.00 0.00 N ATOM 1039 CA VAL A 70 -8.103 -11.834 -1.793 1.00 0.00 C ATOM 1040 C VAL A 70 -8.123 -10.634 -0.854 1.00 0.00 C ATOM 1041 O VAL A 70 -8.544 -9.541 -1.235 1.00 0.00 O ATOM 1042 CB VAL A 70 -7.576 -11.387 -3.169 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -6.345 -10.508 -3.010 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -7.270 -12.595 -4.041 1.00 0.00 C ATOM 0 H VAL A 70 -9.854 -12.355 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.438 -12.597 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.351 -10.800 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.987 -10.202 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.602 -9.624 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.563 -11.067 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.899 -12.260 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.513 -13.212 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.178 -13.180 -4.183 1.00 0.00 H new ATOM 1054 N ILE A 71 -7.666 -10.844 0.376 1.00 0.00 N ATOM 1055 CA ILE A 71 -7.630 -9.778 1.370 1.00 0.00 C ATOM 1056 C ILE A 71 -6.215 -9.237 1.544 1.00 0.00 C ATOM 1057 O ILE A 71 -5.283 -9.987 1.833 1.00 0.00 O ATOM 1058 CB ILE A 71 -8.153 -10.263 2.735 1.00 0.00 C ATOM 1059 CG1 ILE A 71 -9.558 -10.851 2.587 1.00 0.00 C ATOM 1060 CG2 ILE A 71 -8.155 -9.120 3.738 1.00 0.00 C ATOM 1061 CD1 ILE A 71 -10.641 -9.804 2.454 1.00 0.00 C ATOM 0 H ILE A 71 -7.316 -11.742 0.708 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.279 -8.982 1.003 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.489 -11.044 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.581 -11.499 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.774 -11.477 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.527 -9.479 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.140 -8.742 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.799 -8.319 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.610 -10.293 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.645 -9.170 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.450 -9.193 1.572 1.00 0.00 H new ATOM 1073 N VAL A 72 -6.063 -7.928 1.368 1.00 0.00 N ATOM 1074 CA VAL A 72 -4.762 -7.284 1.508 1.00 0.00 C ATOM 1075 C VAL A 72 -4.704 -6.434 2.772 1.00 0.00 C ATOM 1076 O VAL A 72 -5.682 -5.785 3.144 1.00 0.00 O ATOM 1077 CB VAL A 72 -4.440 -6.397 0.291 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.085 -5.727 0.461 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -4.482 -7.217 -0.990 1.00 0.00 C ATOM 0 H VAL A 72 -6.824 -7.293 1.128 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.020 -8.080 1.574 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.197 -5.616 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.875 -5.105 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.096 -5.107 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.312 -6.489 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.252 -6.575 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.747 -8.020 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.477 -7.644 -1.116 1.00 0.00 H new ATOM 1089 N THR A 73 -3.548 -6.440 3.430 1.00 0.00 N ATOM 1090 CA THR A 73 -3.361 -5.670 4.653 1.00 0.00 C ATOM 1091 C THR A 73 -2.071 -4.859 4.601 1.00 0.00 C ATOM 1092 O THR A 73 -1.107 -5.250 3.941 1.00 0.00 O ATOM 1093 CB THR A 73 -3.330 -6.584 5.893 1.00 0.00 C ATOM 1094 OG1 THR A 73 -4.241 -7.675 5.721 1.00 0.00 O ATOM 1095 CG2 THR A 73 -3.695 -5.805 7.148 1.00 0.00 C ATOM 0 H THR A 73 -2.728 -6.970 3.136 1.00 0.00 H new ATOM 0 HA THR A 73 -4.210 -4.991 4.732 1.00 0.00 H new ATOM 0 HB THR A 73 -2.318 -6.972 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.214 -8.252 6.513 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.667 -6.471 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.982 -4.993 7.292 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.698 -5.392 7.041 1.00 0.00 H new ATOM 1103 N LEU A 74 -2.059 -3.730 5.300 1.00 0.00 N ATOM 1104 CA LEU A 74 -0.886 -2.864 5.334 1.00 0.00 C ATOM 1105 C LEU A 74 -0.114 -3.043 6.637 1.00 0.00 C ATOM 1106 O LEU A 74 -0.686 -3.413 7.662 1.00 0.00 O ATOM 1107 CB LEU A 74 -1.302 -1.401 5.171 1.00 0.00 C ATOM 1108 CG LEU A 74 -0.165 -0.395 4.987 1.00 0.00 C ATOM 1109 CD1 LEU A 74 0.171 -0.233 3.513 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -0.534 0.946 5.603 1.00 0.00 C ATOM 0 H LEU A 74 -2.848 -3.393 5.851 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.235 -3.144 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.968 -1.327 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.880 -1.109 6.048 1.00 0.00 H new ATOM 0 HG LEU A 74 0.718 -0.776 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.982 0.487 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.480 -1.194 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.708 0.125 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.287 1.649 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.431 1.334 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.723 0.817 6.669 1.00 0.00 H new ATOM 1122 N GLU A 75 1.187 -2.775 6.590 1.00 0.00 N ATOM 1123 CA GLU A 75 2.036 -2.905 7.768 1.00 0.00 C ATOM 1124 C GLU A 75 3.087 -1.799 7.808 1.00 0.00 C ATOM 1125 O GLU A 75 4.242 -1.991 7.429 1.00 0.00 O ATOM 1126 CB GLU A 75 2.721 -4.274 7.782 1.00 0.00 C ATOM 1127 CG GLU A 75 1.813 -5.404 8.237 1.00 0.00 C ATOM 1128 CD GLU A 75 2.576 -6.535 8.899 1.00 0.00 C ATOM 1129 OE1 GLU A 75 3.823 -6.528 8.831 1.00 0.00 O ATOM 1130 OE2 GLU A 75 1.927 -7.427 9.484 1.00 0.00 O ATOM 0 H GLU A 75 1.676 -2.467 5.749 1.00 0.00 H new ATOM 0 HA GLU A 75 1.403 -2.813 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.090 -4.496 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.589 -4.230 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.073 -5.012 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.266 -5.793 7.379 1.00 0.00 H new ATOM 1137 N PRO A 76 2.676 -0.611 8.276 1.00 0.00 N ATOM 1138 CA PRO A 76 3.565 0.550 8.376 1.00 0.00 C ATOM 1139 C PRO A 76 4.624 0.378 9.460 1.00 0.00 C ATOM 1140 O PRO A 76 4.679 -0.655 10.129 1.00 0.00 O ATOM 1141 CB PRO A 76 2.615 1.695 8.734 1.00 0.00 C ATOM 1142 CG PRO A 76 1.460 1.033 9.404 1.00 0.00 C ATOM 1143 CD PRO A 76 1.313 -0.310 8.745 1.00 0.00 C ATOM 0 HA PRO A 76 4.125 0.715 7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.096 2.416 9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.298 2.239 7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.639 0.925 10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.552 1.625 9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.953 -1.064 9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.602 -0.277 7.919 1.00 0.00 H new ATOM 1151 N CYS A 77 5.461 1.395 9.629 1.00 0.00 N ATOM 1152 CA CYS A 77 6.519 1.356 10.633 1.00 0.00 C ATOM 1153 C CYS A 77 6.264 2.381 11.733 1.00 0.00 C ATOM 1154 O CYS A 77 5.362 3.211 11.623 1.00 0.00 O ATOM 1155 CB CYS A 77 7.878 1.617 9.982 1.00 0.00 C ATOM 1156 SG CYS A 77 9.264 0.810 10.818 1.00 0.00 S ATOM 0 H CYS A 77 5.428 2.257 9.084 1.00 0.00 H new ATOM 0 HA CYS A 77 6.523 0.363 11.081 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.844 1.277 8.947 1.00 0.00 H new ATOM 0 HB3 CYS A 77 8.057 2.692 9.959 1.00 0.00 H new ATOM 0 HG CYS A 77 10.369 1.088 10.193 1.00 0.00 H new ATOM 1162 N GLU A 78 7.063 2.316 12.793 1.00 0.00 N ATOM 1163 CA GLU A 78 6.921 3.237 13.914 1.00 0.00 C ATOM 1164 C GLU A 78 7.768 4.489 13.701 1.00 0.00 C ATOM 1165 O GLU A 78 7.440 5.566 14.199 1.00 0.00 O ATOM 1166 CB GLU A 78 7.324 2.552 15.221 1.00 0.00 C ATOM 1167 CG GLU A 78 8.825 2.369 15.374 1.00 0.00 C ATOM 1168 CD GLU A 78 9.183 1.365 16.453 1.00 0.00 C ATOM 1169 OE1 GLU A 78 8.258 0.849 17.115 1.00 0.00 O ATOM 1170 OE2 GLU A 78 10.389 1.095 16.634 1.00 0.00 O ATOM 0 H GLU A 78 7.815 1.635 12.899 1.00 0.00 H new ATOM 0 HA GLU A 78 5.874 3.534 13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.951 3.140 16.060 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.840 1.577 15.275 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.246 2.041 14.424 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.282 3.330 15.611 1.00 0.00 H new ATOM 1177 N ARG A 79 8.859 4.338 12.957 1.00 0.00 N ATOM 1178 CA ARG A 79 9.755 5.454 12.679 1.00 0.00 C ATOM 1179 C ARG A 79 9.498 6.023 11.287 1.00 0.00 C ATOM 1180 O ARG A 79 10.392 6.599 10.667 1.00 0.00 O ATOM 1181 CB ARG A 79 11.213 5.008 12.799 1.00 0.00 C ATOM 1182 CG ARG A 79 11.483 4.127 14.008 1.00 0.00 C ATOM 1183 CD ARG A 79 12.955 4.143 14.391 1.00 0.00 C ATOM 1184 NE ARG A 79 13.323 2.983 15.198 1.00 0.00 N ATOM 1185 CZ ARG A 79 13.008 2.851 16.482 1.00 0.00 C ATOM 1186 NH1 ARG A 79 12.322 3.802 17.101 1.00 0.00 N ATOM 1187 NH2 ARG A 79 13.378 1.766 17.149 1.00 0.00 N ATOM 0 H ARG A 79 9.144 3.454 12.536 1.00 0.00 H new ATOM 0 HA ARG A 79 9.561 6.235 13.414 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.494 4.467 11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.851 5.890 12.853 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.883 4.470 14.851 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.173 3.105 13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.564 4.164 13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.175 5.055 14.946 1.00 0.00 H new ATOM 0 HE ARG A 79 13.851 2.233 14.752 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.035 4.638 16.591 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.082 3.698 18.087 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.905 1.032 16.676 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.136 1.666 18.135 1.00 0.00 H new ATOM 1201 N SER A 80 8.272 5.856 10.801 1.00 0.00 N ATOM 1202 CA SER A 80 7.899 6.348 9.481 1.00 0.00 C ATOM 1203 C SER A 80 6.581 7.114 9.539 1.00 0.00 C ATOM 1204 O SER A 80 5.884 7.094 10.553 1.00 0.00 O ATOM 1205 CB SER A 80 7.783 5.185 8.493 1.00 0.00 C ATOM 1206 OG SER A 80 8.891 4.309 8.605 1.00 0.00 O ATOM 0 H SER A 80 7.520 5.383 11.303 1.00 0.00 H new ATOM 0 HA SER A 80 8.680 7.028 9.140 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.860 4.635 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.723 5.572 7.476 1.00 0.00 H new ATOM 0 HG SER A 80 9.126 4.198 9.550 1.00 0.00 H new ATOM 1212 N GLU A 81 6.246 7.788 8.443 1.00 0.00 N ATOM 1213 CA GLU A 81 5.012 8.561 8.369 1.00 0.00 C ATOM 1214 C GLU A 81 4.115 8.048 7.247 1.00 0.00 C ATOM 1215 O GLU A 81 4.196 8.513 6.109 1.00 0.00 O ATOM 1216 CB GLU A 81 5.325 10.043 8.150 1.00 0.00 C ATOM 1217 CG GLU A 81 4.277 10.978 8.729 1.00 0.00 C ATOM 1218 CD GLU A 81 4.516 11.287 10.194 1.00 0.00 C ATOM 1219 OE1 GLU A 81 4.453 10.350 11.017 1.00 0.00 O ATOM 1220 OE2 GLU A 81 4.767 12.467 10.518 1.00 0.00 O ATOM 0 H GLU A 81 6.812 7.814 7.595 1.00 0.00 H new ATOM 0 HA GLU A 81 4.483 8.445 9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.292 10.272 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.417 10.232 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.272 11.909 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.291 10.529 8.613 1.00 0.00 H new ATOM 1227 N THR A 82 3.259 7.085 7.575 1.00 0.00 N ATOM 1228 CA THR A 82 2.347 6.507 6.595 1.00 0.00 C ATOM 1229 C THR A 82 0.914 6.965 6.841 1.00 0.00 C ATOM 1230 O THR A 82 0.471 7.065 7.986 1.00 0.00 O ATOM 1231 CB THR A 82 2.394 4.968 6.624 1.00 0.00 C ATOM 1232 OG1 THR A 82 3.749 4.522 6.757 1.00 0.00 O ATOM 1233 CG2 THR A 82 1.785 4.384 5.359 1.00 0.00 C ATOM 0 H THR A 82 3.178 6.689 8.511 1.00 0.00 H new ATOM 0 HA THR A 82 2.674 6.855 5.615 1.00 0.00 H new ATOM 0 HB THR A 82 1.813 4.625 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.771 3.542 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.830 3.296 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.746 4.702 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.343 4.735 4.491 1.00 0.00 H new ATOM 1241 N TYR A 83 0.193 7.242 5.760 1.00 0.00 N ATOM 1242 CA TYR A 83 -1.191 7.691 5.859 1.00 0.00 C ATOM 1243 C TYR A 83 -2.082 6.927 4.885 1.00 0.00 C ATOM 1244 O TYR A 83 -1.809 6.875 3.685 1.00 0.00 O ATOM 1245 CB TYR A 83 -1.283 9.192 5.582 1.00 0.00 C ATOM 1246 CG TYR A 83 -0.583 10.043 6.618 1.00 0.00 C ATOM 1247 CD1 TYR A 83 -1.225 10.408 7.794 1.00 0.00 C ATOM 1248 CD2 TYR A 83 0.721 10.480 6.420 1.00 0.00 C ATOM 1249 CE1 TYR A 83 -0.589 11.186 8.743 1.00 0.00 C ATOM 1250 CE2 TYR A 83 1.365 11.257 7.363 1.00 0.00 C ATOM 1251 CZ TYR A 83 0.705 11.608 8.523 1.00 0.00 C ATOM 1252 OH TYR A 83 1.342 12.382 9.466 1.00 0.00 O ATOM 0 H TYR A 83 0.544 7.164 4.805 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.539 7.494 6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.852 9.399 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.333 9.481 5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.238 10.078 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 83 1.240 10.207 5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.103 11.462 9.652 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.379 11.588 7.194 1.00 0.00 H new ATOM 0 HH TYR A 83 0.999 12.161 10.357 1.00 0.00 H new ATOM 1262 N VAL A 84 -3.151 6.335 5.409 1.00 0.00 N ATOM 1263 CA VAL A 84 -4.085 5.575 4.587 1.00 0.00 C ATOM 1264 C VAL A 84 -5.458 6.235 4.563 1.00 0.00 C ATOM 1265 O VAL A 84 -6.035 6.531 5.609 1.00 0.00 O ATOM 1266 CB VAL A 84 -4.231 4.129 5.096 1.00 0.00 C ATOM 1267 CG1 VAL A 84 -5.484 3.485 4.522 1.00 0.00 C ATOM 1268 CG2 VAL A 84 -2.995 3.313 4.747 1.00 0.00 C ATOM 0 H VAL A 84 -3.392 6.367 6.400 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.676 5.557 3.577 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.328 4.153 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.571 2.464 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.360 4.057 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.421 3.472 3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.116 2.294 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.864 3.295 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.118 3.764 5.211 1.00 0.00 H new ATOM 1278 N ASN A 85 -5.978 6.464 3.361 1.00 0.00 N ATOM 1279 CA ASN A 85 -7.285 7.090 3.200 1.00 0.00 C ATOM 1280 C ASN A 85 -7.277 8.514 3.747 1.00 0.00 C ATOM 1281 O ASN A 85 -8.305 9.027 4.187 1.00 0.00 O ATOM 1282 CB ASN A 85 -8.360 6.265 3.911 1.00 0.00 C ATOM 1283 CG ASN A 85 -8.966 5.207 3.010 1.00 0.00 C ATOM 1284 OD1 ASN A 85 -8.924 4.015 3.317 1.00 0.00 O ATOM 1285 ND2 ASN A 85 -9.535 5.638 1.890 1.00 0.00 N ATOM 0 H ASN A 85 -5.514 6.225 2.485 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.512 7.130 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.925 5.786 4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.147 6.929 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.960 4.972 1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.547 6.635 1.675 1.00 0.00 H new ATOM 1292 N GLY A 86 -6.109 9.148 3.715 1.00 0.00 N ATOM 1293 CA GLY A 86 -5.989 10.508 4.209 1.00 0.00 C ATOM 1294 C GLY A 86 -5.582 10.560 5.669 1.00 0.00 C ATOM 1295 O GLY A 86 -5.021 11.554 6.130 1.00 0.00 O ATOM 0 H GLY A 86 -5.244 8.745 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.253 11.045 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.941 11.023 4.082 1.00 0.00 H new ATOM 1299 N LYS A 87 -5.868 9.487 6.399 1.00 0.00 N ATOM 1300 CA LYS A 87 -5.529 9.414 7.816 1.00 0.00 C ATOM 1301 C LYS A 87 -4.212 8.674 8.022 1.00 0.00 C ATOM 1302 O LYS A 87 -3.699 8.032 7.105 1.00 0.00 O ATOM 1303 CB LYS A 87 -6.647 8.714 8.593 1.00 0.00 C ATOM 1304 CG LYS A 87 -6.729 7.221 8.328 1.00 0.00 C ATOM 1305 CD LYS A 87 -7.309 6.474 9.518 1.00 0.00 C ATOM 1306 CE LYS A 87 -7.411 4.982 9.243 1.00 0.00 C ATOM 1307 NZ LYS A 87 -7.602 4.199 10.496 1.00 0.00 N ATOM 0 H LYS A 87 -6.333 8.656 6.033 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.416 10.431 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.494 8.877 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.601 9.173 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.346 7.040 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.734 6.835 8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.683 6.642 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.297 6.870 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.244 4.794 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.507 4.643 8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.667 3.187 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.794 4.359 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.478 4.504 10.966 1.00 0.00 H new ATOM 1321 N ARG A 88 -3.670 8.766 9.232 1.00 0.00 N ATOM 1322 CA ARG A 88 -2.412 8.104 9.559 1.00 0.00 C ATOM 1323 C ARG A 88 -2.628 6.612 9.793 1.00 0.00 C ATOM 1324 O ARG A 88 -3.747 6.168 10.051 1.00 0.00 O ATOM 1325 CB ARG A 88 -1.784 8.741 10.800 1.00 0.00 C ATOM 1326 CG ARG A 88 -0.373 8.252 11.087 1.00 0.00 C ATOM 1327 CD ARG A 88 0.411 9.264 11.907 1.00 0.00 C ATOM 1328 NE ARG A 88 -0.199 9.502 13.212 1.00 0.00 N ATOM 1329 CZ ARG A 88 0.150 10.500 14.016 1.00 0.00 C ATOM 1330 NH1 ARG A 88 1.100 11.349 13.650 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -0.452 10.651 15.189 1.00 0.00 N ATOM 0 H ARG A 88 -4.082 9.292 10.002 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.735 8.227 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.766 9.823 10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.415 8.532 11.664 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.417 7.304 11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.146 8.063 10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.432 8.907 12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.473 10.204 11.359 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.934 8.867 13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.565 11.237 12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.366 12.115 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.184 10.000 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.183 11.418 15.805 1.00 0.00 H new ATOM 1345 N VAL A 89 -1.548 5.842 9.702 1.00 0.00 N ATOM 1346 CA VAL A 89 -1.618 4.400 9.905 1.00 0.00 C ATOM 1347 C VAL A 89 -0.364 3.881 10.598 1.00 0.00 C ATOM 1348 O VAL A 89 0.724 3.886 10.021 1.00 0.00 O ATOM 1349 CB VAL A 89 -1.800 3.653 8.570 1.00 0.00 C ATOM 1350 CG1 VAL A 89 -0.576 3.836 7.685 1.00 0.00 C ATOM 1351 CG2 VAL A 89 -2.073 2.178 8.818 1.00 0.00 C ATOM 0 H VAL A 89 -0.614 6.193 9.489 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.484 4.212 10.539 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.660 4.076 8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.722 3.301 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.431 4.897 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.303 3.441 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.199 1.666 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.234 1.738 9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.982 2.071 9.410 1.00 0.00 H new ATOM 1361 N SER A 90 -0.522 3.432 11.839 1.00 0.00 N ATOM 1362 CA SER A 90 0.598 2.912 12.614 1.00 0.00 C ATOM 1363 C SER A 90 0.403 1.431 12.926 1.00 0.00 C ATOM 1364 O SER A 90 1.353 0.727 13.265 1.00 0.00 O ATOM 1365 CB SER A 90 0.758 3.702 13.914 1.00 0.00 C ATOM 1366 OG SER A 90 -0.491 3.877 14.560 1.00 0.00 O ATOM 0 H SER A 90 -1.416 3.418 12.330 1.00 0.00 H new ATOM 0 HA SER A 90 1.503 3.023 12.016 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.445 3.179 14.579 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.200 4.675 13.700 1.00 0.00 H new ATOM 0 HG SER A 90 -0.362 4.383 15.389 1.00 0.00 H new ATOM 1372 N GLN A 91 -0.837 0.967 12.808 1.00 0.00 N ATOM 1373 CA GLN A 91 -1.159 -0.429 13.078 1.00 0.00 C ATOM 1374 C GLN A 91 -1.568 -1.151 11.798 1.00 0.00 C ATOM 1375 O GLN A 91 -2.025 -0.540 10.831 1.00 0.00 O ATOM 1376 CB GLN A 91 -2.281 -0.525 14.113 1.00 0.00 C ATOM 1377 CG GLN A 91 -3.670 -0.591 13.500 1.00 0.00 C ATOM 1378 CD GLN A 91 -4.736 -0.006 14.406 1.00 0.00 C ATOM 1379 OE1 GLN A 91 -5.467 -0.737 15.075 1.00 0.00 O ATOM 1380 NE2 GLN A 91 -4.830 1.318 14.431 1.00 0.00 N ATOM 0 H GLN A 91 -1.635 1.537 12.527 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.266 -0.911 13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.122 -1.411 14.728 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.226 0.338 14.777 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.670 -0.054 12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.916 -1.629 13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.203 1.885 13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.529 1.769 15.021 1.00 0.00 H new ATOM 1389 N PRO A 92 -1.401 -2.482 11.789 1.00 0.00 N ATOM 1390 CA PRO A 92 -1.747 -3.315 10.634 1.00 0.00 C ATOM 1391 C PRO A 92 -3.254 -3.405 10.415 1.00 0.00 C ATOM 1392 O PRO A 92 -3.974 -3.999 11.217 1.00 0.00 O ATOM 1393 CB PRO A 92 -1.179 -4.687 11.004 1.00 0.00 C ATOM 1394 CG PRO A 92 -1.142 -4.693 12.493 1.00 0.00 C ATOM 1395 CD PRO A 92 -0.862 -3.275 12.906 1.00 0.00 C ATOM 0 HA PRO A 92 -1.348 -2.909 9.704 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.806 -5.492 10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.184 -4.830 10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.090 -5.040 12.905 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.368 -5.367 12.861 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.351 -3.027 13.848 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.205 -3.100 13.045 1.00 0.00 H new ATOM 1403 N VAL A 93 -3.724 -2.810 9.323 1.00 0.00 N ATOM 1404 CA VAL A 93 -5.145 -2.824 8.997 1.00 0.00 C ATOM 1405 C VAL A 93 -5.373 -3.240 7.548 1.00 0.00 C ATOM 1406 O VAL A 93 -4.488 -3.096 6.705 1.00 0.00 O ATOM 1407 CB VAL A 93 -5.788 -1.444 9.231 1.00 0.00 C ATOM 1408 CG1 VAL A 93 -5.582 -0.995 10.669 1.00 0.00 C ATOM 1409 CG2 VAL A 93 -5.222 -0.421 8.258 1.00 0.00 C ATOM 0 H VAL A 93 -3.142 -2.312 8.649 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.614 -3.552 9.659 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.860 -1.527 9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.043 -0.018 10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.040 -1.717 11.345 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.515 -0.927 10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.687 0.548 8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.145 -0.339 8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.428 -0.738 7.236 1.00 0.00 H new ATOM 1419 N GLN A 94 -6.565 -3.757 7.267 1.00 0.00 N ATOM 1420 CA GLN A 94 -6.909 -4.194 5.919 1.00 0.00 C ATOM 1421 C GLN A 94 -7.197 -2.999 5.016 1.00 0.00 C ATOM 1422 O GLN A 94 -8.105 -2.211 5.282 1.00 0.00 O ATOM 1423 CB GLN A 94 -8.122 -5.125 5.956 1.00 0.00 C ATOM 1424 CG GLN A 94 -7.762 -6.585 6.175 1.00 0.00 C ATOM 1425 CD GLN A 94 -8.979 -7.458 6.408 1.00 0.00 C ATOM 1426 OE1 GLN A 94 -10.100 -7.085 6.062 1.00 0.00 O ATOM 1427 NE2 GLN A 94 -8.765 -8.629 6.997 1.00 0.00 N ATOM 0 H GLN A 94 -7.308 -3.883 7.954 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.056 -4.737 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -8.793 -4.802 6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.670 -5.031 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.215 -6.954 5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.093 -6.666 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.819 -8.899 7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.546 -9.259 7.179 1.00 0.00 H new ATOM 1436 N LEU A 95 -6.418 -2.870 3.947 1.00 0.00 N ATOM 1437 CA LEU A 95 -6.589 -1.771 3.004 1.00 0.00 C ATOM 1438 C LEU A 95 -7.940 -1.861 2.302 1.00 0.00 C ATOM 1439 O LEU A 95 -8.503 -2.946 2.154 1.00 0.00 O ATOM 1440 CB LEU A 95 -5.462 -1.780 1.970 1.00 0.00 C ATOM 1441 CG LEU A 95 -4.050 -1.566 2.514 1.00 0.00 C ATOM 1442 CD1 LEU A 95 -4.004 -0.341 3.414 1.00 0.00 C ATOM 1443 CD2 LEU A 95 -3.575 -2.801 3.267 1.00 0.00 C ATOM 0 H LEU A 95 -5.662 -3.513 3.712 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.553 -0.836 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.486 -2.734 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.667 -1.004 1.232 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.379 -1.398 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.991 -0.205 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.300 0.540 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.688 -0.479 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.568 -2.630 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.249 -3.000 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.568 -3.658 2.593 1.00 0.00 H new ATOM 1455 N ARG A 96 -8.454 -0.714 1.869 1.00 0.00 N ATOM 1456 CA ARG A 96 -9.739 -0.664 1.182 1.00 0.00 C ATOM 1457 C ARG A 96 -9.547 -0.400 -0.309 1.00 0.00 C ATOM 1458 O ARG A 96 -8.695 0.396 -0.704 1.00 0.00 O ATOM 1459 CB ARG A 96 -10.627 0.421 1.793 1.00 0.00 C ATOM 1460 CG ARG A 96 -12.036 0.448 1.223 1.00 0.00 C ATOM 1461 CD ARG A 96 -12.753 -0.874 1.448 1.00 0.00 C ATOM 1462 NE ARG A 96 -12.485 -1.424 2.774 1.00 0.00 N ATOM 1463 CZ ARG A 96 -12.595 -2.714 3.070 1.00 0.00 C ATOM 1464 NH1 ARG A 96 -12.965 -3.582 2.139 1.00 0.00 N ATOM 1465 NH2 ARG A 96 -12.333 -3.138 4.300 1.00 0.00 N ATOM 0 H ARG A 96 -8.000 0.193 1.982 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.226 -1.632 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.683 0.268 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.161 1.393 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.603 1.254 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.994 0.663 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.826 -0.729 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.439 -1.590 0.688 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.198 -0.782 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.166 -3.260 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.049 -4.572 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.047 -2.473 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.418 -4.129 4.527 1.00 0.00 H new ATOM 1479 N SER A 97 -10.346 -1.072 -1.132 1.00 0.00 N ATOM 1480 CA SER A 97 -10.262 -0.913 -2.579 1.00 0.00 C ATOM 1481 C SER A 97 -10.460 0.546 -2.977 1.00 0.00 C ATOM 1482 O SER A 97 -11.586 1.001 -3.171 1.00 0.00 O ATOM 1483 CB SER A 97 -11.307 -1.789 -3.271 1.00 0.00 C ATOM 1484 OG SER A 97 -10.949 -2.043 -4.618 1.00 0.00 O ATOM 0 H SER A 97 -11.059 -1.732 -0.821 1.00 0.00 H new ATOM 0 HA SER A 97 -9.268 -1.227 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.408 -2.732 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.279 -1.297 -3.236 1.00 0.00 H new ATOM 0 HG SER A 97 -11.546 -2.724 -4.992 1.00 0.00 H new ATOM 1490 N GLY A 98 -9.355 1.276 -3.098 1.00 0.00 N ATOM 1491 CA GLY A 98 -9.427 2.676 -3.472 1.00 0.00 C ATOM 1492 C GLY A 98 -8.972 3.598 -2.359 1.00 0.00 C ATOM 1493 O GLY A 98 -9.434 4.734 -2.257 1.00 0.00 O ATOM 0 H GLY A 98 -8.411 0.922 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.810 2.845 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.452 2.923 -3.748 1.00 0.00 H new ATOM 1497 N ASN A 99 -8.064 3.108 -1.520 1.00 0.00 N ATOM 1498 CA ASN A 99 -7.548 3.896 -0.407 1.00 0.00 C ATOM 1499 C ASN A 99 -6.225 4.559 -0.777 1.00 0.00 C ATOM 1500 O ASN A 99 -5.335 3.921 -1.340 1.00 0.00 O ATOM 1501 CB ASN A 99 -7.361 3.011 0.827 1.00 0.00 C ATOM 1502 CG ASN A 99 -6.252 1.994 0.646 1.00 0.00 C ATOM 1503 OD1 ASN A 99 -6.447 0.950 0.024 1.00 0.00 O ATOM 1504 ND2 ASN A 99 -5.079 2.294 1.191 1.00 0.00 N ATOM 0 H ASN A 99 -7.671 2.169 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.274 4.677 -0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -7.138 3.638 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.295 2.492 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.295 1.647 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.962 3.171 1.698 1.00 0.00 H new ATOM 1511 N ARG A 100 -6.102 5.843 -0.456 1.00 0.00 N ATOM 1512 CA ARG A 100 -4.888 6.592 -0.755 1.00 0.00 C ATOM 1513 C ARG A 100 -3.824 6.352 0.312 1.00 0.00 C ATOM 1514 O ARG A 100 -4.004 6.716 1.475 1.00 0.00 O ATOM 1515 CB ARG A 100 -5.198 8.087 -0.854 1.00 0.00 C ATOM 1516 CG ARG A 100 -5.702 8.516 -2.222 1.00 0.00 C ATOM 1517 CD ARG A 100 -6.582 9.753 -2.130 1.00 0.00 C ATOM 1518 NE ARG A 100 -7.821 9.489 -1.404 1.00 0.00 N ATOM 1519 CZ ARG A 100 -8.550 10.438 -0.827 1.00 0.00 C ATOM 1520 NH1 ARG A 100 -8.166 11.705 -0.891 1.00 0.00 N ATOM 1521 NH2 ARG A 100 -9.666 10.119 -0.184 1.00 0.00 N ATOM 0 H ARG A 100 -6.828 6.386 0.011 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.502 6.243 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.946 8.345 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.298 8.653 -0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.854 8.720 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.265 7.700 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.033 10.552 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.818 10.106 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.144 8.524 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.309 11.954 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.728 12.431 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.964 9.145 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.225 10.848 0.259 1.00 0.00 H new ATOM 1535 N ILE A 101 -2.718 5.737 -0.092 1.00 0.00 N ATOM 1536 CA ILE A 101 -1.625 5.449 0.829 1.00 0.00 C ATOM 1537 C ILE A 101 -0.419 6.337 0.547 1.00 0.00 C ATOM 1538 O ILE A 101 0.180 6.265 -0.527 1.00 0.00 O ATOM 1539 CB ILE A 101 -1.193 3.973 0.746 1.00 0.00 C ATOM 1540 CG1 ILE A 101 -2.417 3.057 0.791 1.00 0.00 C ATOM 1541 CG2 ILE A 101 -0.231 3.638 1.876 1.00 0.00 C ATOM 1542 CD1 ILE A 101 -2.235 1.766 0.025 1.00 0.00 C ATOM 0 H ILE A 101 -2.555 5.429 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.997 5.654 1.833 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.679 3.813 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.648 2.824 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.276 3.592 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.065 2.591 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.653 4.271 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.721 3.811 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.142 1.167 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.035 1.990 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.397 1.209 0.444 1.00 0.00 H new ATOM 1554 N ILE A 102 -0.066 7.174 1.517 1.00 0.00 N ATOM 1555 CA ILE A 102 1.071 8.074 1.373 1.00 0.00 C ATOM 1556 C ILE A 102 2.264 7.588 2.190 1.00 0.00 C ATOM 1557 O ILE A 102 2.103 6.859 3.168 1.00 0.00 O ATOM 1558 CB ILE A 102 0.713 9.507 1.811 1.00 0.00 C ATOM 1559 CG1 ILE A 102 -0.381 10.081 0.909 1.00 0.00 C ATOM 1560 CG2 ILE A 102 1.949 10.393 1.783 1.00 0.00 C ATOM 1561 CD1 ILE A 102 -1.781 9.705 1.343 1.00 0.00 C ATOM 0 H ILE A 102 -0.551 7.247 2.411 1.00 0.00 H new ATOM 0 HA ILE A 102 1.336 8.081 0.316 1.00 0.00 H new ATOM 0 HB ILE A 102 0.335 9.475 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.294 11.167 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.220 9.733 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.680 11.402 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.700 9.991 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.353 10.421 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.505 10.146 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.886 8.620 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.962 10.077 2.351 1.00 0.00 H new ATOM 1573 N MET A 103 3.460 7.999 1.781 1.00 0.00 N ATOM 1574 CA MET A 103 4.680 7.607 2.477 1.00 0.00 C ATOM 1575 C MET A 103 5.666 8.769 2.542 1.00 0.00 C ATOM 1576 O MET A 103 6.298 9.116 1.544 1.00 0.00 O ATOM 1577 CB MET A 103 5.329 6.411 1.779 1.00 0.00 C ATOM 1578 CG MET A 103 4.390 5.229 1.600 1.00 0.00 C ATOM 1579 SD MET A 103 3.227 5.465 0.242 1.00 0.00 S ATOM 1580 CE MET A 103 2.508 3.829 0.124 1.00 0.00 C ATOM 0 H MET A 103 3.610 8.602 0.972 1.00 0.00 H new ATOM 0 HA MET A 103 4.413 7.323 3.495 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.694 6.726 0.801 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.197 6.091 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.976 4.328 1.419 1.00 0.00 H new ATOM 0 HG3 MET A 103 3.835 5.067 2.524 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.488 3.906 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.101 3.219 -0.558 1.00 0.00 H new ATOM 0 HE3 MET A 103 2.497 3.364 1.110 1.00 0.00 H new ATOM 1590 N GLY A 104 5.792 9.368 3.722 1.00 0.00 N ATOM 1591 CA GLY A 104 6.702 10.485 3.894 1.00 0.00 C ATOM 1592 C GLY A 104 6.255 11.719 3.136 1.00 0.00 C ATOM 1593 O GLY A 104 7.079 12.534 2.719 1.00 0.00 O ATOM 0 H GLY A 104 5.280 9.099 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.783 10.723 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.697 10.195 3.555 1.00 0.00 H new ATOM 1597 N LYS A 105 4.946 11.858 2.954 1.00 0.00 N ATOM 1598 CA LYS A 105 4.389 13.002 2.241 1.00 0.00 C ATOM 1599 C LYS A 105 5.192 13.299 0.979 1.00 0.00 C ATOM 1600 O LYS A 105 5.353 14.456 0.593 1.00 0.00 O ATOM 1601 CB LYS A 105 4.369 14.234 3.148 1.00 0.00 C ATOM 1602 CG LYS A 105 3.460 15.343 2.647 1.00 0.00 C ATOM 1603 CD LYS A 105 2.896 16.164 3.795 1.00 0.00 C ATOM 1604 CE LYS A 105 3.838 17.291 4.189 1.00 0.00 C ATOM 1605 NZ LYS A 105 3.148 18.331 5.001 1.00 0.00 N ATOM 0 H LYS A 105 4.251 11.192 3.291 1.00 0.00 H new ATOM 0 HA LYS A 105 3.367 12.756 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.048 13.935 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.383 14.622 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.016 15.994 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.642 14.911 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.930 16.579 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.721 15.517 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.675 16.883 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.254 17.748 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.823 19.082 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.365 18.738 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.773 17.901 5.870 1.00 0.00 H new ATOM 1619 N ASN A 106 5.693 12.247 0.339 1.00 0.00 N ATOM 1620 CA ASN A 106 6.478 12.397 -0.880 1.00 0.00 C ATOM 1621 C ASN A 106 5.897 11.551 -2.009 1.00 0.00 C ATOM 1622 O ASN A 106 5.974 11.923 -3.181 1.00 0.00 O ATOM 1623 CB ASN A 106 7.934 11.997 -0.626 1.00 0.00 C ATOM 1624 CG ASN A 106 8.889 12.631 -1.619 1.00 0.00 C ATOM 1625 OD1 ASN A 106 8.803 12.387 -2.823 1.00 0.00 O ATOM 1626 ND2 ASN A 106 9.806 13.450 -1.117 1.00 0.00 N ATOM 0 H ASN A 106 5.569 11.282 0.645 1.00 0.00 H new ATOM 0 HA ASN A 106 6.442 13.445 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.218 12.290 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.025 10.912 -0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.476 13.906 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.840 13.623 -0.112 1.00 0.00 H new ATOM 1633 N HIS A 107 5.314 10.412 -1.648 1.00 0.00 N ATOM 1634 CA HIS A 107 4.718 9.514 -2.630 1.00 0.00 C ATOM 1635 C HIS A 107 3.280 9.171 -2.251 1.00 0.00 C ATOM 1636 O HIS A 107 2.997 8.816 -1.107 1.00 0.00 O ATOM 1637 CB HIS A 107 5.545 8.233 -2.750 1.00 0.00 C ATOM 1638 CG HIS A 107 6.786 8.396 -3.572 1.00 0.00 C ATOM 1639 ND1 HIS A 107 6.787 8.351 -4.950 1.00 0.00 N ATOM 1640 CD2 HIS A 107 8.071 8.606 -3.203 1.00 0.00 C ATOM 1641 CE1 HIS A 107 8.020 8.525 -5.393 1.00 0.00 C ATOM 1642 NE2 HIS A 107 8.818 8.683 -4.353 1.00 0.00 N ATOM 0 H HIS A 107 5.242 10.090 -0.683 1.00 0.00 H new ATOM 0 HA HIS A 107 4.710 10.024 -3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.822 7.895 -1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.927 7.451 -3.191 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.965 8.206 -5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.440 8.696 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.323 8.536 -6.429 1.00 0.00 H new ATOM 1650 N VAL A 108 2.376 9.281 -3.219 1.00 0.00 N ATOM 1651 CA VAL A 108 0.968 8.983 -2.987 1.00 0.00 C ATOM 1652 C VAL A 108 0.433 8.009 -4.031 1.00 0.00 C ATOM 1653 O VAL A 108 0.364 8.330 -5.218 1.00 0.00 O ATOM 1654 CB VAL A 108 0.112 10.264 -3.010 1.00 0.00 C ATOM 1655 CG1 VAL A 108 -1.296 9.974 -2.514 1.00 0.00 C ATOM 1656 CG2 VAL A 108 0.766 11.356 -2.177 1.00 0.00 C ATOM 0 H VAL A 108 2.594 9.574 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 108 0.900 8.527 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 108 0.043 10.616 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.886 10.890 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.761 9.226 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.251 9.597 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.148 12.254 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.867 11.016 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.752 11.582 -2.583 1.00 0.00 H new ATOM 1666 N PHE A 109 0.055 6.817 -3.581 1.00 0.00 N ATOM 1667 CA PHE A 109 -0.474 5.795 -4.476 1.00 0.00 C ATOM 1668 C PHE A 109 -1.881 5.380 -4.057 1.00 0.00 C ATOM 1669 O PHE A 109 -2.256 5.507 -2.892 1.00 0.00 O ATOM 1670 CB PHE A 109 0.447 4.573 -4.489 1.00 0.00 C ATOM 1671 CG PHE A 109 1.904 4.921 -4.599 1.00 0.00 C ATOM 1672 CD1 PHE A 109 2.478 5.174 -5.834 1.00 0.00 C ATOM 1673 CD2 PHE A 109 2.699 4.995 -3.467 1.00 0.00 C ATOM 1674 CE1 PHE A 109 3.819 5.495 -5.938 1.00 0.00 C ATOM 1675 CE2 PHE A 109 4.040 5.316 -3.565 1.00 0.00 C ATOM 1676 CZ PHE A 109 4.600 5.566 -4.802 1.00 0.00 C ATOM 0 H PHE A 109 0.105 6.535 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.522 6.217 -5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.287 3.998 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.171 3.929 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.871 5.120 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.266 4.800 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.255 5.690 -6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.649 5.371 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.648 5.817 -4.881 1.00 0.00 H new ATOM 1686 N ARG A 110 -2.656 4.886 -5.017 1.00 0.00 N ATOM 1687 CA ARG A 110 -4.023 4.454 -4.749 1.00 0.00 C ATOM 1688 C ARG A 110 -4.153 2.941 -4.892 1.00 0.00 C ATOM 1689 O ARG A 110 -3.695 2.358 -5.875 1.00 0.00 O ATOM 1690 CB ARG A 110 -4.997 5.153 -5.700 1.00 0.00 C ATOM 1691 CG ARG A 110 -6.454 4.805 -5.444 1.00 0.00 C ATOM 1692 CD ARG A 110 -7.081 5.748 -4.429 1.00 0.00 C ATOM 1693 NE ARG A 110 -7.203 7.108 -4.948 1.00 0.00 N ATOM 1694 CZ ARG A 110 -8.166 7.495 -5.776 1.00 0.00 C ATOM 1695 NH1 ARG A 110 -9.087 6.630 -6.177 1.00 0.00 N ATOM 1696 NH2 ARG A 110 -8.210 8.750 -6.204 1.00 0.00 N ATOM 0 H ARG A 110 -2.361 4.775 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 110 -4.269 4.727 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.869 6.232 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.744 4.887 -6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.011 4.853 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.526 3.779 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.067 5.377 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.476 5.759 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.510 7.798 -4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.057 5.665 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.826 6.930 -6.813 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.504 9.419 -5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.950 9.046 -6.840 1.00 0.00 H new ATOM 1710 N PHE A 111 -4.781 2.310 -3.905 1.00 0.00 N ATOM 1711 CA PHE A 111 -4.970 0.864 -3.920 1.00 0.00 C ATOM 1712 C PHE A 111 -6.137 0.478 -4.825 1.00 0.00 C ATOM 1713 O PHE A 111 -7.213 1.070 -4.754 1.00 0.00 O ATOM 1714 CB PHE A 111 -5.216 0.346 -2.502 1.00 0.00 C ATOM 1715 CG PHE A 111 -5.190 -1.152 -2.398 1.00 0.00 C ATOM 1716 CD1 PHE A 111 -4.130 -1.877 -2.919 1.00 0.00 C ATOM 1717 CD2 PHE A 111 -6.224 -1.836 -1.779 1.00 0.00 C ATOM 1718 CE1 PHE A 111 -4.103 -3.256 -2.825 1.00 0.00 C ATOM 1719 CE2 PHE A 111 -6.203 -3.214 -1.682 1.00 0.00 C ATOM 1720 CZ PHE A 111 -5.140 -3.925 -2.205 1.00 0.00 C ATOM 0 H PHE A 111 -5.168 2.777 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.062 0.407 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.460 0.762 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.183 0.710 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.316 -1.359 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.057 -1.285 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -3.272 -3.810 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -7.016 -3.735 -1.198 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.120 -5.002 -2.129 1.00 0.00 H new ATOM 1730 N ASN A 112 -5.914 -0.519 -5.675 1.00 0.00 N ATOM 1731 CA ASN A 112 -6.946 -0.985 -6.594 1.00 0.00 C ATOM 1732 C ASN A 112 -7.294 -2.446 -6.327 1.00 0.00 C ATOM 1733 O ASN A 112 -6.488 -3.343 -6.577 1.00 0.00 O ATOM 1734 CB ASN A 112 -6.482 -0.816 -8.042 1.00 0.00 C ATOM 1735 CG ASN A 112 -7.636 -0.570 -8.995 1.00 0.00 C ATOM 1736 OD1 ASN A 112 -8.701 -1.174 -8.866 1.00 0.00 O ATOM 1737 ND2 ASN A 112 -7.429 0.320 -9.958 1.00 0.00 N ATOM 0 H ASN A 112 -5.028 -1.020 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.840 -0.382 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.782 0.017 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.941 -1.710 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.169 0.527 -10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -6.530 0.797 -10.027 1.00 0.00 H new ATOM 1744 N HIS A 113 -8.500 -2.678 -5.818 1.00 0.00 N ATOM 1745 CA HIS A 113 -8.956 -4.031 -5.518 1.00 0.00 C ATOM 1746 C HIS A 113 -10.276 -4.328 -6.222 1.00 0.00 C ATOM 1747 O HIS A 113 -11.354 -4.251 -5.632 1.00 0.00 O ATOM 1748 CB HIS A 113 -9.117 -4.214 -4.009 1.00 0.00 C ATOM 1749 CG HIS A 113 -8.880 -5.619 -3.547 1.00 0.00 C ATOM 1750 ND1 HIS A 113 -9.741 -6.659 -3.827 1.00 0.00 N ATOM 1751 CD2 HIS A 113 -7.869 -6.154 -2.822 1.00 0.00 C ATOM 1752 CE1 HIS A 113 -9.272 -7.772 -3.293 1.00 0.00 C ATOM 1753 NE2 HIS A 113 -8.137 -7.493 -2.678 1.00 0.00 N ATOM 0 H HIS A 113 -9.179 -1.947 -5.605 1.00 0.00 H new ATOM 0 HA HIS A 113 -8.204 -4.731 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -8.423 -3.549 -3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -10.123 -3.910 -3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -7.012 -5.626 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -9.737 -8.745 -3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -7.554 -8.164 -2.177 1.00 0.00 H new ATOM 1761 N PRO A 114 -10.193 -4.675 -7.515 1.00 0.00 N ATOM 1762 CA PRO A 114 -11.371 -4.991 -8.328 1.00 0.00 C ATOM 1763 C PRO A 114 -12.025 -6.305 -7.915 1.00 0.00 C ATOM 1764 O PRO A 114 -13.212 -6.521 -8.157 1.00 0.00 O ATOM 1765 CB PRO A 114 -10.806 -5.096 -9.746 1.00 0.00 C ATOM 1766 CG PRO A 114 -9.374 -5.458 -9.557 1.00 0.00 C ATOM 1767 CD PRO A 114 -8.941 -4.787 -8.283 1.00 0.00 C ATOM 0 HA PRO A 114 -12.153 -4.239 -8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -11.332 -5.853 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -10.908 -4.153 -10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -9.250 -6.539 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.772 -5.120 -10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -8.195 -5.377 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.498 -3.810 -8.474 1.00 0.00 H new ATOM 1775 N GLU A 115 -11.242 -7.180 -7.292 1.00 0.00 N ATOM 1776 CA GLU A 115 -11.746 -8.474 -6.847 1.00 0.00 C ATOM 1777 C GLU A 115 -12.892 -8.299 -5.854 1.00 0.00 C ATOM 1778 O GLU A 115 -14.022 -8.708 -6.118 1.00 0.00 O ATOM 1779 CB GLU A 115 -10.622 -9.291 -6.207 1.00 0.00 C ATOM 1780 CG GLU A 115 -10.792 -10.793 -6.371 1.00 0.00 C ATOM 1781 CD GLU A 115 -11.572 -11.419 -5.231 1.00 0.00 C ATOM 1782 OE1 GLU A 115 -10.944 -11.807 -4.224 1.00 0.00 O ATOM 1783 OE2 GLU A 115 -12.811 -11.521 -5.347 1.00 0.00 O ATOM 0 H GLU A 115 -10.257 -7.017 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.122 -9.008 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.671 -8.991 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.571 -9.053 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.304 -10.997 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.810 -11.261 -6.435 1.00 0.00 H new ATOM 1790 N GLN A 116 -12.590 -7.689 -4.713 1.00 0.00 N ATOM 1791 CA GLN A 116 -13.594 -7.461 -3.680 1.00 0.00 C ATOM 1792 C GLN A 116 -14.720 -6.576 -4.202 1.00 0.00 C ATOM 1793 O GLN A 116 -15.898 -6.871 -4.003 1.00 0.00 O ATOM 1794 CB GLN A 116 -12.953 -6.819 -2.449 1.00 0.00 C ATOM 1795 CG GLN A 116 -13.962 -6.342 -1.416 1.00 0.00 C ATOM 1796 CD GLN A 116 -14.954 -7.421 -1.029 1.00 0.00 C ATOM 1797 OE1 GLN A 116 -16.067 -7.129 -0.590 1.00 0.00 O ATOM 1798 NE2 GLN A 116 -14.556 -8.678 -1.190 1.00 0.00 N ATOM 0 H GLN A 116 -11.659 -7.344 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 116 -14.016 -8.426 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -12.281 -7.539 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -12.343 -5.973 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.432 -6.004 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -14.502 -5.482 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.625 -8.875 -1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.181 -9.446 -0.947 1.00 0.00 H new ATOM 1807 N ALA A 117 -14.350 -5.489 -4.871 1.00 0.00 N ATOM 1808 CA ALA A 117 -15.330 -4.561 -5.423 1.00 0.00 C ATOM 1809 C ALA A 117 -16.517 -5.308 -6.021 1.00 0.00 C ATOM 1810 O ALA A 117 -17.623 -4.773 -6.101 1.00 0.00 O ATOM 1811 CB ALA A 117 -14.680 -3.670 -6.472 1.00 0.00 C ATOM 0 H ALA A 117 -13.379 -5.229 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.701 -3.936 -4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.423 -2.982 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -13.870 -3.102 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -14.281 -4.287 -7.277 1.00 0.00 H new ATOM 1817 N ARG A 118 -16.280 -6.546 -6.443 1.00 0.00 N ATOM 1818 CA ARG A 118 -17.329 -7.365 -7.036 1.00 0.00 C ATOM 1819 C ARG A 118 -18.450 -7.623 -6.033 1.00 0.00 C ATOM 1820 O ARG A 118 -19.630 -7.493 -6.359 1.00 0.00 O ATOM 1821 CB ARG A 118 -16.752 -8.695 -7.525 1.00 0.00 C ATOM 1822 CG ARG A 118 -16.727 -9.777 -6.458 1.00 0.00 C ATOM 1823 CD ARG A 118 -16.051 -11.042 -6.964 1.00 0.00 C ATOM 1824 NE ARG A 118 -17.005 -11.967 -7.571 1.00 0.00 N ATOM 1825 CZ ARG A 118 -16.730 -13.241 -7.830 1.00 0.00 C ATOM 1826 NH1 ARG A 118 -15.537 -13.738 -7.536 1.00 0.00 N ATOM 1827 NH2 ARG A 118 -17.650 -14.020 -8.384 1.00 0.00 N ATOM 0 H ARG A 118 -15.370 -7.003 -6.385 1.00 0.00 H new ATOM 0 HA ARG A 118 -17.743 -6.822 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -17.340 -9.046 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -15.737 -8.530 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -16.201 -9.409 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -17.746 -10.007 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -15.287 -10.777 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -15.542 -11.537 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 118 -17.933 -11.616 -7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -14.827 -13.142 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -15.329 -14.716 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -18.569 -13.641 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -17.438 -14.998 -8.582 1.00 0.00 H new ATOM 1841 N ALA A 119 -18.073 -7.989 -4.813 1.00 0.00 N ATOM 1842 CA ALA A 119 -19.045 -8.264 -3.762 1.00 0.00 C ATOM 1843 C ALA A 119 -19.466 -6.980 -3.055 1.00 0.00 C ATOM 1844 O ALA A 119 -20.420 -6.973 -2.278 1.00 0.00 O ATOM 1845 CB ALA A 119 -18.475 -9.257 -2.761 1.00 0.00 C ATOM 0 H ALA A 119 -17.100 -8.102 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 119 -19.930 -8.701 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -19.212 -9.452 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -18.231 -10.189 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -17.573 -8.843 -2.311 1.00 0.00 H new ATOM 1851 N GLU A 120 -18.747 -5.896 -3.329 1.00 0.00 N ATOM 1852 CA GLU A 120 -19.047 -4.607 -2.716 1.00 0.00 C ATOM 1853 C GLU A 120 -20.270 -3.966 -3.366 1.00 0.00 C ATOM 1854 O GLU A 120 -20.956 -3.149 -2.753 1.00 0.00 O ATOM 1855 CB GLU A 120 -17.843 -3.669 -2.834 1.00 0.00 C ATOM 1856 CG GLU A 120 -16.573 -4.229 -2.216 1.00 0.00 C ATOM 1857 CD GLU A 120 -16.555 -4.104 -0.705 1.00 0.00 C ATOM 1858 OE1 GLU A 120 -17.621 -4.294 -0.082 1.00 0.00 O ATOM 1859 OE2 GLU A 120 -15.477 -3.817 -0.146 1.00 0.00 O ATOM 0 H GLU A 120 -17.954 -5.884 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 120 -19.265 -4.777 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -17.661 -3.456 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.083 -2.721 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -16.472 -5.279 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -15.711 -3.706 -2.630 1.00 0.00 H new ATOM 1866 N ARG A 121 -20.536 -4.344 -4.613 1.00 0.00 N ATOM 1867 CA ARG A 121 -21.674 -3.806 -5.347 1.00 0.00 C ATOM 1868 C ARG A 121 -22.831 -4.800 -5.362 1.00 0.00 C ATOM 1869 O ARG A 121 -23.991 -4.420 -5.209 1.00 0.00 O ATOM 1870 CB ARG A 121 -21.267 -3.460 -6.781 1.00 0.00 C ATOM 1871 CG ARG A 121 -22.090 -4.178 -7.838 1.00 0.00 C ATOM 1872 CD ARG A 121 -21.783 -3.655 -9.232 1.00 0.00 C ATOM 1873 NE ARG A 121 -22.773 -4.094 -10.212 1.00 0.00 N ATOM 1874 CZ ARG A 121 -22.762 -5.295 -10.780 1.00 0.00 C ATOM 1875 NH1 ARG A 121 -21.817 -6.171 -10.468 1.00 0.00 N ATOM 1876 NH2 ARG A 121 -23.698 -5.621 -11.663 1.00 0.00 N ATOM 0 H ARG A 121 -19.979 -5.020 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 121 -22.003 -2.899 -4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.363 -2.384 -6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.215 -3.708 -6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.885 -5.248 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.151 -4.048 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.752 -2.566 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.794 -3.997 -9.538 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.513 -3.443 -10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.096 -5.924 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.811 -7.092 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.426 -4.949 -11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.689 -6.543 -12.099 1.00 0.00 H new ATOM 1890 N GLU A 122 -22.506 -6.076 -5.547 1.00 0.00 N ATOM 1891 CA GLU A 122 -23.519 -7.125 -5.583 1.00 0.00 C ATOM 1892 C GLU A 122 -24.550 -6.923 -4.476 1.00 0.00 C ATOM 1893 O GLU A 122 -25.751 -7.080 -4.695 1.00 0.00 O ATOM 1894 CB GLU A 122 -22.865 -8.501 -5.442 1.00 0.00 C ATOM 1895 CG GLU A 122 -22.661 -8.933 -4.000 1.00 0.00 C ATOM 1896 CD GLU A 122 -21.947 -10.266 -3.886 1.00 0.00 C ATOM 1897 OE1 GLU A 122 -21.411 -10.741 -4.909 1.00 0.00 O ATOM 1898 OE2 GLU A 122 -21.926 -10.835 -2.774 1.00 0.00 O ATOM 0 H GLU A 122 -21.550 -6.408 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 122 -24.029 -7.070 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -23.483 -9.241 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -21.900 -8.489 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -22.086 -8.171 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -23.629 -9.000 -3.504 1.00 0.00 H new ATOM 1905 N LYS A 123 -24.071 -6.575 -3.287 1.00 0.00 N ATOM 1906 CA LYS A 123 -24.949 -6.351 -2.144 1.00 0.00 C ATOM 1907 C LYS A 123 -26.264 -5.716 -2.585 1.00 0.00 C ATOM 1908 O LYS A 123 -26.292 -4.890 -3.497 1.00 0.00 O ATOM 1909 CB LYS A 123 -24.259 -5.457 -1.112 1.00 0.00 C ATOM 1910 CG LYS A 123 -24.402 -5.953 0.316 1.00 0.00 C ATOM 1911 CD LYS A 123 -23.083 -6.475 0.860 1.00 0.00 C ATOM 1912 CE LYS A 123 -23.032 -6.386 2.378 1.00 0.00 C ATOM 1913 NZ LYS A 123 -24.137 -7.152 3.016 1.00 0.00 N ATOM 0 H LYS A 123 -23.079 -6.442 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 123 -25.167 -7.318 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -23.200 -5.384 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -24.672 -4.451 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -24.762 -5.142 0.949 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -25.151 -6.744 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -22.945 -7.511 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -22.260 -5.902 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -22.074 -6.767 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -23.091 -5.341 2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -23.973 -7.209 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -25.042 -6.671 2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -24.170 -8.112 2.617 1.00 0.00 H new ATOM 1927 N THR A 124 -27.353 -6.106 -1.930 1.00 0.00 N ATOM 1928 CA THR A 124 -28.671 -5.575 -2.254 1.00 0.00 C ATOM 1929 C THR A 124 -28.861 -5.455 -3.761 1.00 0.00 C ATOM 1930 O THR A 124 -29.392 -4.459 -4.253 1.00 0.00 O ATOM 1931 CB THR A 124 -28.894 -4.194 -1.608 1.00 0.00 C ATOM 1932 OG1 THR A 124 -28.735 -4.285 -0.188 1.00 0.00 O ATOM 1933 CG2 THR A 124 -30.282 -3.662 -1.935 1.00 0.00 C ATOM 0 H THR A 124 -27.348 -6.788 -1.172 1.00 0.00 H new ATOM 0 HA THR A 124 -29.402 -6.278 -1.854 1.00 0.00 H new ATOM 0 HB THR A 124 -28.153 -3.505 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 124 -28.877 -3.403 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 124 -30.417 -2.686 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 124 -30.390 -3.566 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 124 -31.035 -4.353 -1.556 1.00 0.00 H new ATOM 1941 N SER A 125 -28.423 -6.477 -4.491 1.00 0.00 N ATOM 1942 CA SER A 125 -28.542 -6.484 -5.944 1.00 0.00 C ATOM 1943 C SER A 125 -30.007 -6.529 -6.369 1.00 0.00 C ATOM 1944 O SER A 125 -30.699 -7.522 -6.149 1.00 0.00 O ATOM 1945 CB SER A 125 -27.792 -7.681 -6.532 1.00 0.00 C ATOM 1946 OG SER A 125 -27.898 -8.814 -5.687 1.00 0.00 O ATOM 0 H SER A 125 -27.983 -7.310 -4.100 1.00 0.00 H new ATOM 0 HA SER A 125 -28.099 -5.564 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 125 -28.195 -7.919 -7.517 1.00 0.00 H new ATOM 0 HB3 SER A 125 -26.742 -7.424 -6.671 1.00 0.00 H new ATOM 0 HG SER A 125 -27.412 -9.566 -6.085 1.00 0.00 H new ATOM 1952 N GLY A 126 -30.472 -5.443 -6.981 1.00 0.00 N ATOM 1953 CA GLY A 126 -31.852 -5.378 -7.427 1.00 0.00 C ATOM 1954 C GLY A 126 -32.281 -6.628 -8.169 1.00 0.00 C ATOM 1955 O GLY A 126 -31.464 -7.343 -8.749 1.00 0.00 O ATOM 0 H GLY A 126 -29.918 -4.609 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -32.503 -5.230 -6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -31.980 -4.512 -8.076 1.00 0.00 H new ATOM 1959 N PRO A 127 -33.593 -6.908 -8.155 1.00 0.00 N ATOM 1960 CA PRO A 127 -34.159 -8.082 -8.825 1.00 0.00 C ATOM 1961 C PRO A 127 -34.100 -7.966 -10.345 1.00 0.00 C ATOM 1962 O PRO A 127 -33.824 -6.895 -10.885 1.00 0.00 O ATOM 1963 CB PRO A 127 -35.613 -8.098 -8.346 1.00 0.00 C ATOM 1964 CG PRO A 127 -35.912 -6.681 -7.998 1.00 0.00 C ATOM 1965 CD PRO A 127 -34.624 -6.099 -7.483 1.00 0.00 C ATOM 0 HA PRO A 127 -33.608 -8.992 -8.587 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -36.282 -8.464 -9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -35.739 -8.753 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -36.267 -6.132 -8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -36.696 -6.622 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -34.532 -5.042 -7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -34.553 -6.177 -6.398 1.00 0.00 H new ATOM 1973 N SER A 128 -34.362 -9.075 -11.029 1.00 0.00 N ATOM 1974 CA SER A 128 -34.336 -9.099 -12.486 1.00 0.00 C ATOM 1975 C SER A 128 -35.465 -8.250 -13.064 1.00 0.00 C ATOM 1976 O SER A 128 -35.236 -7.385 -13.909 1.00 0.00 O ATOM 1977 CB SER A 128 -34.450 -10.536 -12.997 1.00 0.00 C ATOM 1978 OG SER A 128 -34.144 -10.613 -14.378 1.00 0.00 O ATOM 0 H SER A 128 -34.595 -9.969 -10.597 1.00 0.00 H new ATOM 0 HA SER A 128 -33.385 -8.680 -12.814 1.00 0.00 H new ATOM 0 HB2 SER A 128 -33.773 -11.180 -12.435 1.00 0.00 H new ATOM 0 HB3 SER A 128 -35.460 -10.907 -12.824 1.00 0.00 H new ATOM 0 HG SER A 128 -34.223 -11.542 -14.679 1.00 0.00 H new ATOM 1984 N SER A 129 -36.684 -8.506 -12.601 1.00 0.00 N ATOM 1985 CA SER A 129 -37.851 -7.769 -13.073 1.00 0.00 C ATOM 1986 C SER A 129 -37.739 -6.289 -12.719 1.00 0.00 C ATOM 1987 O SER A 129 -37.091 -5.921 -11.740 1.00 0.00 O ATOM 1988 CB SER A 129 -39.129 -8.354 -12.469 1.00 0.00 C ATOM 1989 OG SER A 129 -39.426 -9.620 -13.033 1.00 0.00 O ATOM 0 H SER A 129 -36.890 -9.218 -11.900 1.00 0.00 H new ATOM 0 HA SER A 129 -37.894 -7.863 -14.158 1.00 0.00 H new ATOM 0 HB2 SER A 129 -39.013 -8.451 -11.390 1.00 0.00 H new ATOM 0 HB3 SER A 129 -39.962 -7.672 -12.640 1.00 0.00 H new ATOM 0 HG SER A 129 -40.246 -9.974 -12.629 1.00 0.00 H new ATOM 1995 N GLY A 130 -38.375 -5.444 -13.525 1.00 0.00 N ATOM 1996 CA GLY A 130 -38.335 -4.014 -13.281 1.00 0.00 C ATOM 1997 C GLY A 130 -36.957 -3.426 -13.509 1.00 0.00 C ATOM 1998 O GLY A 130 -36.368 -2.838 -12.602 1.00 0.00 O ATOM 0 H GLY A 130 -38.917 -5.724 -14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -39.052 -3.517 -13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -38.647 -3.814 -12.256 1.00 0.00 H new TER 2002 GLY A 130