USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 799 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 35 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.2!) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= -0.0394 USER MOD Set 2.2: A 11 SER OG : rot -90:sc= 0.897 USER MOD Set 2.3: A 28 SER OG : rot 180:sc= 0.796 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.0537 USER MOD Single : A 3 SER OG : rot 35:sc= 0.99 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -75:sc= 0.988 USER MOD Single : A 12 SER OG : rot -160:sc= -1.1 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.94) USER MOD Single : A 19 ASN : amide:sc= -0.0649 X(o=-0.065,f=-0.52) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 25:sc= 0.661 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.608 USER MOD Single : A 32 ASN : amide:sc= -0.624 K(o=-0.62,f=-0.061) USER MOD Single : A 33 HIS : no HE2:sc= -3.03! C(o=-3!,f=-6.4!) USER MOD Single : A 38 GLN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.46 K(o=-2.5,f=-4.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.00234 (180deg=-0.0817) USER MOD Single : A 47 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 51 SER OG : rot 50:sc= 0.534 USER MOD Single : A 55 CYS SG : rot 81:sc= -2! USER MOD Single : A 62 SER OG : rot 180:sc= 0.711 USER MOD Single : A 65 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-2.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 115:sc= 0.0679 USER MOD Single : A 73 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.248) USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.229) USER MOD Single : A 84 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.451) USER MOD Single : A 85 SER OG : rot 180:sc= -0.611 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -148:sc= -0.812 (180deg=-3.55!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 14:sc= 0.636! USER MOD Single : A 102 SER OG : rot 180:sc= 0.0034 USER MOD Single : A 105 SER OG : rot -54:sc= 0.64 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.387 -18.286 16.338 1.00 0.00 N ATOM 2 CA GLY A 1 -11.300 -17.591 17.227 1.00 0.00 C ATOM 3 C GLY A 1 -11.914 -16.364 16.584 1.00 0.00 C ATOM 4 O GLY A 1 -11.204 -15.431 16.206 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.994 -19.117 16.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.898 -18.593 15.486 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.613 -17.646 16.066 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.094 -18.273 17.533 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.768 -17.296 18.131 1.00 0.00 H new ATOM 8 N SER A 2 -13.237 -16.363 16.457 1.00 0.00 N ATOM 9 CA SER A 2 -13.947 -15.244 15.849 1.00 0.00 C ATOM 10 C SER A 2 -15.036 -14.721 16.781 1.00 0.00 C ATOM 11 O SER A 2 -15.845 -15.489 17.301 1.00 0.00 O ATOM 12 CB SER A 2 -14.562 -15.666 14.514 1.00 0.00 C ATOM 13 OG SER A 2 -15.448 -16.759 14.684 1.00 0.00 O ATOM 0 H SER A 2 -13.839 -17.125 16.767 1.00 0.00 H new ATOM 0 HA SER A 2 -13.229 -14.444 15.672 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.098 -14.825 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.771 -15.940 13.816 1.00 0.00 H new ATOM 0 HG SER A 2 -15.775 -16.775 15.608 1.00 0.00 H new ATOM 19 N SER A 3 -15.049 -13.408 16.987 1.00 0.00 N ATOM 20 CA SER A 3 -16.036 -12.781 17.859 1.00 0.00 C ATOM 21 C SER A 3 -17.110 -12.071 17.041 1.00 0.00 C ATOM 22 O SER A 3 -16.984 -10.889 16.722 1.00 0.00 O ATOM 23 CB SER A 3 -15.356 -11.786 18.802 1.00 0.00 C ATOM 24 OG SER A 3 -14.738 -10.737 18.077 1.00 0.00 O ATOM 0 H SER A 3 -14.388 -12.758 16.562 1.00 0.00 H new ATOM 0 HA SER A 3 -16.512 -13.564 18.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.092 -11.372 19.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.610 -12.304 19.406 1.00 0.00 H new ATOM 0 HG SER A 3 -15.279 -10.521 17.289 1.00 0.00 H new ATOM 30 N GLY A 4 -18.169 -12.802 16.705 1.00 0.00 N ATOM 31 CA GLY A 4 -19.251 -12.226 15.927 1.00 0.00 C ATOM 32 C GLY A 4 -18.853 -11.961 14.489 1.00 0.00 C ATOM 33 O GLY A 4 -19.174 -10.911 13.932 1.00 0.00 O ATOM 0 H GLY A 4 -18.297 -13.782 16.957 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.107 -12.901 15.946 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.571 -11.293 16.390 1.00 0.00 H new ATOM 37 N SER A 5 -18.151 -12.914 13.885 1.00 0.00 N ATOM 38 CA SER A 5 -17.704 -12.776 12.504 1.00 0.00 C ATOM 39 C SER A 5 -17.340 -11.328 12.193 1.00 0.00 C ATOM 40 O SER A 5 -17.667 -10.809 11.126 1.00 0.00 O ATOM 41 CB SER A 5 -18.792 -13.258 11.543 1.00 0.00 C ATOM 42 OG SER A 5 -19.035 -14.645 11.702 1.00 0.00 O ATOM 0 H SER A 5 -17.879 -13.790 14.330 1.00 0.00 H new ATOM 0 HA SER A 5 -16.814 -13.392 12.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.712 -12.702 11.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.491 -13.054 10.516 1.00 0.00 H new ATOM 0 HG SER A 5 -19.736 -14.928 11.078 1.00 0.00 H new ATOM 48 N SER A 6 -16.660 -10.680 13.134 1.00 0.00 N ATOM 49 CA SER A 6 -16.254 -9.290 12.963 1.00 0.00 C ATOM 50 C SER A 6 -15.158 -8.918 13.957 1.00 0.00 C ATOM 51 O SER A 6 -15.251 -9.226 15.145 1.00 0.00 O ATOM 52 CB SER A 6 -17.456 -8.360 13.141 1.00 0.00 C ATOM 53 OG SER A 6 -17.991 -8.462 14.449 1.00 0.00 O ATOM 0 H SER A 6 -16.379 -11.095 14.022 1.00 0.00 H new ATOM 0 HA SER A 6 -15.860 -9.174 11.953 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.155 -7.330 12.947 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.225 -8.610 12.410 1.00 0.00 H new ATOM 0 HG SER A 6 -18.493 -9.300 14.533 1.00 0.00 H new ATOM 59 N GLY A 7 -14.119 -8.253 13.462 1.00 0.00 N ATOM 60 CA GLY A 7 -13.019 -7.850 14.318 1.00 0.00 C ATOM 61 C GLY A 7 -11.666 -8.109 13.686 1.00 0.00 C ATOM 62 O GLY A 7 -10.889 -8.928 14.177 1.00 0.00 O ATOM 0 H GLY A 7 -14.019 -7.986 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.112 -6.789 14.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.083 -8.388 15.264 1.00 0.00 H new ATOM 66 N LEU A 8 -11.383 -7.411 12.591 1.00 0.00 N ATOM 67 CA LEU A 8 -10.115 -7.570 11.889 1.00 0.00 C ATOM 68 C LEU A 8 -9.230 -6.342 12.078 1.00 0.00 C ATOM 69 O LEU A 8 -9.568 -5.247 11.630 1.00 0.00 O ATOM 70 CB LEU A 8 -10.361 -7.810 10.398 1.00 0.00 C ATOM 71 CG LEU A 8 -9.347 -8.705 9.686 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.934 -8.186 9.901 1.00 0.00 C ATOM 73 CD2 LEU A 8 -9.469 -10.142 10.171 1.00 0.00 C ATOM 0 H LEU A 8 -12.015 -6.730 12.171 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.601 -8.434 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.351 -8.251 10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.380 -6.844 9.893 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.561 -8.685 8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.226 -8.836 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.853 -7.174 9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.709 -8.175 10.967 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.739 -10.764 9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.282 -10.181 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.473 -10.512 9.964 1.00 0.00 H new ATOM 85 N GLU A 9 -8.094 -6.534 12.743 1.00 0.00 N ATOM 86 CA GLU A 9 -7.160 -5.442 12.989 1.00 0.00 C ATOM 87 C GLU A 9 -6.618 -4.883 11.677 1.00 0.00 C ATOM 88 O GLU A 9 -6.870 -5.431 10.603 1.00 0.00 O ATOM 89 CB GLU A 9 -6.004 -5.919 13.870 1.00 0.00 C ATOM 90 CG GLU A 9 -6.293 -5.824 15.358 1.00 0.00 C ATOM 91 CD GLU A 9 -5.069 -6.105 16.209 1.00 0.00 C ATOM 92 OE1 GLU A 9 -4.214 -6.903 15.772 1.00 0.00 O ATOM 93 OE2 GLU A 9 -4.968 -5.527 17.312 1.00 0.00 O ATOM 0 H GLU A 9 -7.799 -7.435 13.120 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.698 -4.648 13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.770 -6.954 13.619 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.117 -5.328 13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.670 -4.828 15.588 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.081 -6.531 15.617 1.00 0.00 H new ATOM 100 N THR A 10 -5.871 -3.787 11.770 1.00 0.00 N ATOM 101 CA THR A 10 -5.293 -3.153 10.592 1.00 0.00 C ATOM 102 C THR A 10 -4.236 -4.044 9.950 1.00 0.00 C ATOM 103 O THR A 10 -4.193 -4.190 8.728 1.00 0.00 O ATOM 104 CB THR A 10 -4.659 -1.793 10.941 1.00 0.00 C ATOM 105 OG1 THR A 10 -3.589 -1.976 11.874 1.00 0.00 O ATOM 106 CG2 THR A 10 -5.696 -0.848 11.530 1.00 0.00 C ATOM 0 H THR A 10 -5.652 -3.320 12.650 1.00 0.00 H new ATOM 0 HA THR A 10 -6.108 -2.996 9.886 1.00 0.00 H new ATOM 0 HB THR A 10 -4.269 -1.353 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.190 -1.107 12.089 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.225 0.106 11.769 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.495 -0.687 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.112 -1.285 12.438 1.00 0.00 H new ATOM 114 N SER A 11 -3.385 -4.638 10.780 1.00 0.00 N ATOM 115 CA SER A 11 -2.326 -5.512 10.292 1.00 0.00 C ATOM 116 C SER A 11 -2.875 -6.896 9.956 1.00 0.00 C ATOM 117 O SER A 11 -3.013 -7.750 10.831 1.00 0.00 O ATOM 118 CB SER A 11 -1.214 -5.633 11.336 1.00 0.00 C ATOM 119 OG SER A 11 -0.585 -4.383 11.558 1.00 0.00 O ATOM 0 H SER A 11 -3.409 -4.530 11.794 1.00 0.00 H new ATOM 0 HA SER A 11 -1.916 -5.072 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.629 -6.006 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.475 -6.361 11.002 1.00 0.00 H new ATOM 0 HG SER A 11 0.170 -4.283 10.941 1.00 0.00 H new ATOM 125 N SER A 12 -3.187 -7.108 8.682 1.00 0.00 N ATOM 126 CA SER A 12 -3.725 -8.385 8.228 1.00 0.00 C ATOM 127 C SER A 12 -2.998 -8.868 6.977 1.00 0.00 C ATOM 128 O SER A 12 -2.790 -8.105 6.033 1.00 0.00 O ATOM 129 CB SER A 12 -5.223 -8.259 7.945 1.00 0.00 C ATOM 130 OG SER A 12 -5.836 -9.535 7.868 1.00 0.00 O ATOM 0 H SER A 12 -3.076 -6.411 7.945 1.00 0.00 H new ATOM 0 HA SER A 12 -3.572 -9.118 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.697 -7.671 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.376 -7.721 7.009 1.00 0.00 H new ATOM 0 HG SER A 12 -6.687 -9.461 7.387 1.00 0.00 H new ATOM 136 N TYR A 13 -2.613 -10.139 6.978 1.00 0.00 N ATOM 137 CA TYR A 13 -1.906 -10.725 5.845 1.00 0.00 C ATOM 138 C TYR A 13 -2.753 -10.652 4.578 1.00 0.00 C ATOM 139 O TYR A 13 -3.688 -11.433 4.396 1.00 0.00 O ATOM 140 CB TYR A 13 -1.538 -12.179 6.143 1.00 0.00 C ATOM 141 CG TYR A 13 -2.706 -13.014 6.620 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.518 -13.688 5.716 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.996 -13.129 7.974 1.00 0.00 C ATOM 144 CE1 TYR A 13 -4.586 -14.451 6.147 1.00 0.00 C ATOM 145 CE2 TYR A 13 -4.061 -13.891 8.414 1.00 0.00 C ATOM 146 CZ TYR A 13 -4.853 -14.549 7.497 1.00 0.00 C ATOM 147 OH TYR A 13 -5.915 -15.309 7.930 1.00 0.00 O ATOM 0 H TYR A 13 -2.779 -10.784 7.751 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.993 -10.152 5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.122 -12.632 5.243 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.755 -12.199 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.311 -13.614 4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.378 -12.614 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.208 -14.968 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.272 -13.971 9.470 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.965 -15.274 8.908 1.00 0.00 H new ATOM 157 N LEU A 14 -2.419 -9.708 3.705 1.00 0.00 N ATOM 158 CA LEU A 14 -3.148 -9.532 2.453 1.00 0.00 C ATOM 159 C LEU A 14 -2.383 -10.150 1.287 1.00 0.00 C ATOM 160 O LEU A 14 -1.190 -10.429 1.393 1.00 0.00 O ATOM 161 CB LEU A 14 -3.392 -8.046 2.188 1.00 0.00 C ATOM 162 CG LEU A 14 -4.555 -7.410 2.951 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.610 -5.913 2.690 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.871 -8.069 2.564 1.00 0.00 C ATOM 0 H LEU A 14 -1.649 -9.053 3.840 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.108 -10.041 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.481 -7.500 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.567 -7.912 1.121 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.393 -7.566 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.444 -5.478 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.678 -5.452 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.748 -5.734 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.687 -7.604 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.040 -7.944 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.830 -9.132 2.803 1.00 0.00 H new ATOM 176 N ASN A 15 -3.079 -10.358 0.174 1.00 0.00 N ATOM 177 CA ASN A 15 -2.465 -10.941 -1.013 1.00 0.00 C ATOM 178 C ASN A 15 -1.816 -9.863 -1.875 1.00 0.00 C ATOM 179 O ASN A 15 -2.503 -9.070 -2.519 1.00 0.00 O ATOM 180 CB ASN A 15 -3.510 -11.703 -1.832 1.00 0.00 C ATOM 181 CG ASN A 15 -3.617 -13.159 -1.420 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.616 -13.802 -1.106 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.837 -13.685 -1.420 1.00 0.00 N ATOM 0 H ASN A 15 -4.068 -10.132 0.069 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.691 -11.636 -0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.481 -11.222 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.252 -11.645 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.972 -14.660 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.639 -13.114 -1.688 1.00 0.00 H new ATOM 190 N VAL A 16 -0.487 -9.840 -1.883 1.00 0.00 N ATOM 191 CA VAL A 16 0.257 -8.861 -2.667 1.00 0.00 C ATOM 192 C VAL A 16 0.721 -9.455 -3.992 1.00 0.00 C ATOM 193 O VAL A 16 1.647 -10.266 -4.031 1.00 0.00 O ATOM 194 CB VAL A 16 1.482 -8.337 -1.895 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.157 -7.212 -2.664 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.077 -7.875 -0.503 1.00 0.00 C ATOM 0 H VAL A 16 0.097 -10.489 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.422 -8.031 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 16 2.198 -9.152 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.020 -6.855 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.484 -7.581 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.452 -6.393 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.955 -7.508 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.342 -7.075 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.644 -8.711 0.046 1.00 0.00 H new ATOM 206 N LEU A 17 0.072 -9.046 -5.077 1.00 0.00 N ATOM 207 CA LEU A 17 0.418 -9.538 -6.406 1.00 0.00 C ATOM 208 C LEU A 17 1.920 -9.436 -6.650 1.00 0.00 C ATOM 209 O LEU A 17 2.524 -8.384 -6.440 1.00 0.00 O ATOM 210 CB LEU A 17 -0.339 -8.748 -7.476 1.00 0.00 C ATOM 211 CG LEU A 17 -0.273 -9.311 -8.897 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.016 -10.635 -8.981 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.844 -8.312 -9.892 1.00 0.00 C ATOM 0 H LEU A 17 -0.696 -8.375 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 17 0.129 -10.587 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.386 -8.685 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.050 -7.730 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 17 0.772 -9.488 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.958 -11.021 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.562 -11.351 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.061 -10.484 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.789 -8.728 -10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.884 -8.103 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.268 -7.387 -9.850 1.00 0.00 H new ATOM 225 N VAL A 18 2.518 -10.536 -7.097 1.00 0.00 N ATOM 226 CA VAL A 18 3.949 -10.571 -7.373 1.00 0.00 C ATOM 227 C VAL A 18 4.244 -11.360 -8.643 1.00 0.00 C ATOM 228 O VAL A 18 3.837 -12.513 -8.779 1.00 0.00 O ATOM 229 CB VAL A 18 4.732 -11.192 -6.201 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.213 -11.281 -6.536 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.511 -10.389 -4.928 1.00 0.00 C ATOM 0 H VAL A 18 2.033 -11.415 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 18 4.271 -9.538 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 18 4.361 -12.203 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.750 -11.722 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.349 -11.903 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.603 -10.282 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.072 -10.842 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.853 -9.365 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.449 -10.384 -4.681 1.00 0.00 H new ATOM 241 N ASN A 19 4.957 -10.731 -9.572 1.00 0.00 N ATOM 242 CA ASN A 19 5.308 -11.375 -10.833 1.00 0.00 C ATOM 243 C ASN A 19 4.103 -12.095 -11.430 1.00 0.00 C ATOM 244 O ASN A 19 4.205 -13.241 -11.867 1.00 0.00 O ATOM 245 CB ASN A 19 6.455 -12.365 -10.621 1.00 0.00 C ATOM 246 CG ASN A 19 7.816 -11.722 -10.803 1.00 0.00 C ATOM 247 OD1 ASN A 19 8.031 -10.953 -11.740 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.743 -12.034 -9.905 1.00 0.00 N ATOM 0 H ASN A 19 5.303 -9.776 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 19 5.629 -10.602 -11.531 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.387 -12.786 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.351 -13.193 -11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.678 -11.631 -9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.521 -12.676 -9.144 1.00 0.00 H new ATOM 255 N SER A 20 2.961 -11.414 -11.445 1.00 0.00 N ATOM 256 CA SER A 20 1.735 -11.989 -11.985 1.00 0.00 C ATOM 257 C SER A 20 1.310 -13.214 -11.181 1.00 0.00 C ATOM 258 O SER A 20 0.665 -14.121 -11.707 1.00 0.00 O ATOM 259 CB SER A 20 1.930 -12.372 -13.454 1.00 0.00 C ATOM 260 OG SER A 20 2.127 -11.222 -14.258 1.00 0.00 O ATOM 0 H SER A 20 2.860 -10.463 -11.089 1.00 0.00 H new ATOM 0 HA SER A 20 0.948 -11.238 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.788 -13.037 -13.549 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.059 -12.923 -13.808 1.00 0.00 H new ATOM 0 HG SER A 20 2.251 -11.493 -15.192 1.00 0.00 H new ATOM 266 N GLN A 21 1.676 -13.232 -9.904 1.00 0.00 N ATOM 267 CA GLN A 21 1.333 -14.346 -9.027 1.00 0.00 C ATOM 268 C GLN A 21 1.045 -13.855 -7.612 1.00 0.00 C ATOM 269 O GLN A 21 1.860 -13.156 -7.009 1.00 0.00 O ATOM 270 CB GLN A 21 2.467 -15.372 -9.003 1.00 0.00 C ATOM 271 CG GLN A 21 2.364 -16.417 -10.102 1.00 0.00 C ATOM 272 CD GLN A 21 1.574 -17.638 -9.674 1.00 0.00 C ATOM 273 OE1 GLN A 21 1.531 -17.981 -8.492 1.00 0.00 O ATOM 274 NE2 GLN A 21 0.943 -18.302 -10.636 1.00 0.00 N ATOM 0 H GLN A 21 2.210 -12.489 -9.453 1.00 0.00 H new ATOM 0 HA GLN A 21 0.433 -14.820 -9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.420 -14.851 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.472 -15.874 -8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.892 -15.972 -10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.366 -16.724 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.006 -17.982 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.395 -19.132 -10.408 1.00 0.00 H new ATOM 283 N TRP A 22 -0.117 -14.226 -7.087 1.00 0.00 N ATOM 284 CA TRP A 22 -0.512 -13.823 -5.742 1.00 0.00 C ATOM 285 C TRP A 22 0.282 -14.588 -4.690 1.00 0.00 C ATOM 286 O TRP A 22 0.250 -15.819 -4.645 1.00 0.00 O ATOM 287 CB TRP A 22 -2.010 -14.056 -5.538 1.00 0.00 C ATOM 288 CG TRP A 22 -2.868 -13.265 -6.479 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.459 -13.717 -7.624 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.228 -11.885 -6.356 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.166 -12.701 -8.221 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.041 -11.567 -7.462 1.00 0.00 C ATOM 293 CE3 TRP A 22 -2.946 -10.888 -5.419 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.570 -10.294 -7.654 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.472 -9.625 -5.611 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.277 -9.337 -6.721 1.00 0.00 C ATOM 0 H TRP A 22 -0.802 -14.805 -7.572 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.298 -12.760 -5.630 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.226 -15.117 -5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.274 -13.798 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.382 -14.725 -8.004 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.697 -12.778 -9.088 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.328 -11.101 -4.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.190 -10.069 -8.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.259 -8.847 -4.893 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.674 -8.340 -6.843 1.00 0.00 H new ATOM 307 N LYS A 23 0.995 -13.854 -3.843 1.00 0.00 N ATOM 308 CA LYS A 23 1.797 -14.463 -2.788 1.00 0.00 C ATOM 309 C LYS A 23 1.418 -13.900 -1.422 1.00 0.00 C ATOM 310 O LYS A 23 1.377 -12.684 -1.231 1.00 0.00 O ATOM 311 CB LYS A 23 3.286 -14.229 -3.053 1.00 0.00 C ATOM 312 CG LYS A 23 3.628 -14.090 -4.526 1.00 0.00 C ATOM 313 CD LYS A 23 3.281 -15.351 -5.300 1.00 0.00 C ATOM 314 CE LYS A 23 4.451 -16.321 -5.339 1.00 0.00 C ATOM 315 NZ LYS A 23 3.995 -17.737 -5.420 1.00 0.00 N ATOM 0 H LYS A 23 1.034 -12.835 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 23 1.598 -15.535 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.602 -13.327 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.856 -15.058 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.087 -13.243 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.691 -13.876 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.420 -15.836 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.992 -15.087 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.083 -16.093 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.064 -16.187 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.822 -18.367 -5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.413 -17.962 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.432 -17.871 -6.284 1.00 0.00 H new ATOM 329 N SER A 24 1.142 -14.791 -0.476 1.00 0.00 N ATOM 330 CA SER A 24 0.765 -14.383 0.872 1.00 0.00 C ATOM 331 C SER A 24 1.822 -13.465 1.478 1.00 0.00 C ATOM 332 O SER A 24 2.955 -13.880 1.721 1.00 0.00 O ATOM 333 CB SER A 24 0.567 -15.610 1.763 1.00 0.00 C ATOM 334 OG SER A 24 1.777 -16.334 1.910 1.00 0.00 O ATOM 0 H SER A 24 1.172 -15.801 -0.618 1.00 0.00 H new ATOM 0 HA SER A 24 -0.174 -13.834 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.205 -15.297 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.197 -16.257 1.332 1.00 0.00 H new ATOM 0 HG SER A 24 2.537 -15.734 1.760 1.00 0.00 H new ATOM 340 N ARG A 25 1.442 -12.214 1.720 1.00 0.00 N ATOM 341 CA ARG A 25 2.357 -11.236 2.297 1.00 0.00 C ATOM 342 C ARG A 25 1.721 -10.538 3.496 1.00 0.00 C ATOM 343 O ARG A 25 0.501 -10.388 3.564 1.00 0.00 O ATOM 344 CB ARG A 25 2.759 -10.201 1.245 1.00 0.00 C ATOM 345 CG ARG A 25 3.785 -9.196 1.741 1.00 0.00 C ATOM 346 CD ARG A 25 5.203 -9.723 1.582 1.00 0.00 C ATOM 347 NE ARG A 25 5.661 -9.652 0.197 1.00 0.00 N ATOM 348 CZ ARG A 25 6.620 -10.425 -0.300 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.219 -11.322 0.471 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.981 -10.302 -1.571 1.00 0.00 N ATOM 0 H ARG A 25 0.508 -11.854 1.526 1.00 0.00 H new ATOM 0 HA ARG A 25 3.248 -11.764 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.161 -10.718 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.869 -9.666 0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.678 -8.263 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.596 -8.969 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.877 -9.148 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.246 -10.756 1.926 1.00 0.00 H new ATOM 0 HE ARG A 25 5.220 -8.972 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.944 -11.420 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.955 -11.914 0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.522 -9.613 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.718 -10.896 -1.952 1.00 0.00 H new ATOM 364 N TRP A 26 2.556 -10.116 4.438 1.00 0.00 N ATOM 365 CA TRP A 26 2.076 -9.435 5.635 1.00 0.00 C ATOM 366 C TRP A 26 2.062 -7.924 5.433 1.00 0.00 C ATOM 367 O TRP A 26 3.092 -7.262 5.565 1.00 0.00 O ATOM 368 CB TRP A 26 2.952 -9.793 6.837 1.00 0.00 C ATOM 369 CG TRP A 26 2.267 -9.585 8.154 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.661 -8.441 8.590 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.121 -10.545 9.206 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.147 -8.633 9.850 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.415 -9.916 10.250 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.516 -11.876 9.367 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.099 -10.573 11.436 1.00 0.00 C ATOM 376 CZ3 TRP A 26 2.202 -12.526 10.544 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.498 -11.875 11.566 1.00 0.00 C ATOM 0 H TRP A 26 3.568 -10.233 4.397 1.00 0.00 H new ATOM 0 HA TRP A 26 1.056 -9.767 5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.259 -10.836 6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.860 -9.190 6.808 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.595 -7.521 8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.647 -7.934 10.399 1.00 0.00 H new ATOM 0 HE3 TRP A 26 3.057 -12.387 8.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.558 -10.072 12.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.504 -13.554 10.679 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.266 -12.412 12.474 1.00 0.00 H new ATOM 388 N CYS A 27 0.891 -7.385 5.113 1.00 0.00 N ATOM 389 CA CYS A 27 0.744 -5.951 4.892 1.00 0.00 C ATOM 390 C CYS A 27 0.460 -5.225 6.203 1.00 0.00 C ATOM 391 O CYS A 27 -0.423 -5.620 6.964 1.00 0.00 O ATOM 392 CB CYS A 27 -0.380 -5.680 3.891 1.00 0.00 C ATOM 393 SG CYS A 27 0.161 -5.636 2.167 1.00 0.00 S ATOM 0 H CYS A 27 0.029 -7.919 5.001 1.00 0.00 H new ATOM 0 HA CYS A 27 1.682 -5.574 4.484 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.144 -6.450 4.001 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.850 -4.728 4.138 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.861 -5.403 1.397 1.00 0.00 H new ATOM 399 N SER A 28 1.216 -4.162 6.461 1.00 0.00 N ATOM 400 CA SER A 28 1.050 -3.384 7.683 1.00 0.00 C ATOM 401 C SER A 28 1.106 -1.889 7.387 1.00 0.00 C ATOM 402 O SER A 28 2.144 -1.362 6.987 1.00 0.00 O ATOM 403 CB SER A 28 2.130 -3.755 8.700 1.00 0.00 C ATOM 404 OG SER A 28 1.657 -3.600 10.027 1.00 0.00 O ATOM 0 H SER A 28 1.949 -3.820 5.840 1.00 0.00 H new ATOM 0 HA SER A 28 0.071 -3.617 8.102 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.444 -4.786 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.008 -3.127 8.548 1.00 0.00 H new ATOM 0 HG SER A 28 2.366 -3.845 10.658 1.00 0.00 H new ATOM 410 N VAL A 29 -0.019 -1.210 7.586 1.00 0.00 N ATOM 411 CA VAL A 29 -0.100 0.226 7.342 1.00 0.00 C ATOM 412 C VAL A 29 0.195 1.016 8.611 1.00 0.00 C ATOM 413 O VAL A 29 -0.422 0.792 9.652 1.00 0.00 O ATOM 414 CB VAL A 29 -1.488 0.628 6.811 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.595 2.140 6.685 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.764 -0.047 5.475 1.00 0.00 C ATOM 0 H VAL A 29 -0.888 -1.631 7.916 1.00 0.00 H new ATOM 0 HA VAL A 29 0.651 0.462 6.588 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.241 0.293 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.583 2.405 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.445 2.598 7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.834 2.502 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.749 0.249 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.007 0.256 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.733 -1.129 5.601 1.00 0.00 H new ATOM 426 N ARG A 30 1.143 1.944 8.517 1.00 0.00 N ATOM 427 CA ARG A 30 1.521 2.768 9.658 1.00 0.00 C ATOM 428 C ARG A 30 2.179 4.066 9.198 1.00 0.00 C ATOM 429 O ARG A 30 2.697 4.149 8.084 1.00 0.00 O ATOM 430 CB ARG A 30 2.472 2.000 10.577 1.00 0.00 C ATOM 431 CG ARG A 30 2.872 2.772 11.824 1.00 0.00 C ATOM 432 CD ARG A 30 3.412 1.847 12.903 1.00 0.00 C ATOM 433 NE ARG A 30 4.786 1.432 12.631 1.00 0.00 N ATOM 434 CZ ARG A 30 5.625 1.007 13.569 1.00 0.00 C ATOM 435 NH1 ARG A 30 5.232 0.942 14.834 1.00 0.00 N ATOM 436 NH2 ARG A 30 6.859 0.646 13.243 1.00 0.00 N ATOM 0 H ARG A 30 1.663 2.143 7.662 1.00 0.00 H new ATOM 0 HA ARG A 30 0.615 3.016 10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.998 1.065 10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.371 1.738 10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.628 3.514 11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.010 3.317 12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.370 2.352 13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.775 0.966 12.977 1.00 0.00 H new ATOM 0 HE ARG A 30 5.119 1.471 11.668 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.284 1.219 15.088 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.878 0.615 15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.165 0.695 12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.502 0.320 13.964 1.00 0.00 H new ATOM 450 N ASP A 31 2.153 5.075 10.061 1.00 0.00 N ATOM 451 CA ASP A 31 2.747 6.368 9.744 1.00 0.00 C ATOM 452 C ASP A 31 2.408 6.786 8.316 1.00 0.00 C ATOM 453 O ASP A 31 3.248 7.332 7.603 1.00 0.00 O ATOM 454 CB ASP A 31 4.265 6.315 9.926 1.00 0.00 C ATOM 455 CG ASP A 31 4.936 7.629 9.579 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.612 8.648 10.223 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.785 7.638 8.663 1.00 0.00 O ATOM 0 H ASP A 31 1.727 5.022 10.986 1.00 0.00 H new ATOM 0 HA ASP A 31 2.333 7.108 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.495 6.055 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.676 5.524 9.299 1.00 0.00 H new ATOM 462 N ASN A 32 1.171 6.525 7.906 1.00 0.00 N ATOM 463 CA ASN A 32 0.721 6.872 6.563 1.00 0.00 C ATOM 464 C ASN A 32 1.593 6.201 5.507 1.00 0.00 C ATOM 465 O ASN A 32 1.928 6.805 4.487 1.00 0.00 O ATOM 466 CB ASN A 32 0.746 8.390 6.372 1.00 0.00 C ATOM 467 CG ASN A 32 -0.343 9.091 7.161 1.00 0.00 C ATOM 468 OD1 ASN A 32 -0.069 9.763 8.156 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.586 8.936 6.721 1.00 0.00 N ATOM 0 H ASN A 32 0.462 6.074 8.485 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.302 6.514 6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.718 8.776 6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.630 8.622 5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.360 9.383 7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.767 8.370 5.892 1.00 0.00 H new ATOM 476 N HIS A 33 1.958 4.947 5.758 1.00 0.00 N ATOM 477 CA HIS A 33 2.790 4.192 4.828 1.00 0.00 C ATOM 478 C HIS A 33 2.485 2.700 4.914 1.00 0.00 C ATOM 479 O HIS A 33 2.322 2.151 6.004 1.00 0.00 O ATOM 480 CB HIS A 33 4.270 4.440 5.119 1.00 0.00 C ATOM 481 CG HIS A 33 4.803 5.691 4.491 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.535 6.952 4.982 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.594 5.871 3.408 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.137 7.853 4.226 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.787 7.223 3.264 1.00 0.00 N ATOM 0 H HIS A 33 1.691 4.433 6.597 1.00 0.00 H new ATOM 0 HA HIS A 33 2.564 4.533 3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.415 4.495 6.198 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.850 3.589 4.762 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.962 7.157 5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.998 5.095 2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.103 8.923 4.370 1.00 0.00 H new ATOM 494 N LEU A 34 2.407 2.049 3.758 1.00 0.00 N ATOM 495 CA LEU A 34 2.121 0.620 3.703 1.00 0.00 C ATOM 496 C LEU A 34 3.409 -0.191 3.611 1.00 0.00 C ATOM 497 O LEU A 34 4.051 -0.240 2.561 1.00 0.00 O ATOM 498 CB LEU A 34 1.221 0.306 2.506 1.00 0.00 C ATOM 499 CG LEU A 34 1.215 -1.148 2.034 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.952 -2.087 3.200 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.177 -1.349 0.940 1.00 0.00 C ATOM 0 H LEU A 34 2.538 2.488 2.847 1.00 0.00 H new ATOM 0 HA LEU A 34 1.604 0.343 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.200 0.588 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.527 0.937 1.671 1.00 0.00 H new ATOM 0 HG LEU A 34 2.197 -1.380 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.951 -3.117 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.733 -1.963 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.017 -1.855 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.187 -2.390 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.811 -1.098 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.411 -0.703 0.094 1.00 0.00 H new ATOM 513 N HIS A 35 3.782 -0.827 4.717 1.00 0.00 N ATOM 514 CA HIS A 35 4.994 -1.638 4.760 1.00 0.00 C ATOM 515 C HIS A 35 4.706 -3.068 4.311 1.00 0.00 C ATOM 516 O HIS A 35 3.552 -3.494 4.261 1.00 0.00 O ATOM 517 CB HIS A 35 5.579 -1.643 6.173 1.00 0.00 C ATOM 518 CG HIS A 35 6.020 -0.292 6.643 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.320 0.154 6.539 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.324 0.715 7.222 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.406 1.376 7.035 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.208 1.740 7.455 1.00 0.00 N ATOM 0 H HIS A 35 3.263 -0.797 5.595 1.00 0.00 H new ATOM 0 HA HIS A 35 5.720 -1.200 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.833 -2.034 6.865 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.429 -2.324 6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.270 0.713 7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.303 1.975 7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.977 2.637 7.883 1.00 0.00 H new ATOM 531 N PHE A 36 5.763 -3.804 3.983 1.00 0.00 N ATOM 532 CA PHE A 36 5.625 -5.185 3.536 1.00 0.00 C ATOM 533 C PHE A 36 6.606 -6.095 4.269 1.00 0.00 C ATOM 534 O PHE A 36 7.815 -5.863 4.254 1.00 0.00 O ATOM 535 CB PHE A 36 5.854 -5.280 2.026 1.00 0.00 C ATOM 536 CG PHE A 36 4.817 -4.556 1.216 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.845 -3.175 1.104 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.813 -5.257 0.566 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.892 -2.507 0.359 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.858 -4.594 -0.181 1.00 0.00 C ATOM 541 CZ PHE A 36 2.897 -3.217 -0.284 1.00 0.00 C ATOM 0 H PHE A 36 6.725 -3.467 4.018 1.00 0.00 H new ATOM 0 HA PHE A 36 4.611 -5.515 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.837 -4.874 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.864 -6.330 1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.621 -2.614 1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.777 -6.334 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.925 -1.430 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.082 -5.152 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.151 -2.697 -0.866 1.00 0.00 H new ATOM 551 N TYR A 37 6.076 -7.131 4.910 1.00 0.00 N ATOM 552 CA TYR A 37 6.903 -8.075 5.652 1.00 0.00 C ATOM 553 C TYR A 37 6.579 -9.512 5.255 1.00 0.00 C ATOM 554 O TYR A 37 5.587 -9.770 4.573 1.00 0.00 O ATOM 555 CB TYR A 37 6.700 -7.891 7.156 1.00 0.00 C ATOM 556 CG TYR A 37 6.774 -6.449 7.605 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.649 -5.635 7.585 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.971 -5.901 8.051 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.712 -4.317 7.993 1.00 0.00 C ATOM 560 CE2 TYR A 37 8.043 -4.584 8.463 1.00 0.00 C ATOM 561 CZ TYR A 37 6.912 -3.796 8.432 1.00 0.00 C ATOM 562 OH TYR A 37 6.979 -2.484 8.841 1.00 0.00 O ATOM 0 H TYR A 37 5.077 -7.338 4.931 1.00 0.00 H new ATOM 0 HA TYR A 37 7.946 -7.876 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.729 -8.301 7.436 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.455 -8.468 7.689 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.708 -6.040 7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.859 -6.515 8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.827 -3.698 7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.981 -4.174 8.808 1.00 0.00 H new ATOM 0 HH TYR A 37 7.895 -2.275 9.121 1.00 0.00 H new ATOM 572 N GLN A 38 7.422 -10.444 5.689 1.00 0.00 N ATOM 573 CA GLN A 38 7.225 -11.855 5.380 1.00 0.00 C ATOM 574 C GLN A 38 6.451 -12.553 6.494 1.00 0.00 C ATOM 575 O GLN A 38 5.516 -13.311 6.233 1.00 0.00 O ATOM 576 CB GLN A 38 8.574 -12.545 5.170 1.00 0.00 C ATOM 577 CG GLN A 38 9.312 -12.073 3.928 1.00 0.00 C ATOM 578 CD GLN A 38 10.192 -13.150 3.327 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.853 -13.744 2.302 1.00 0.00 O ATOM 580 NE2 GLN A 38 11.330 -13.409 3.961 1.00 0.00 N ATOM 0 H GLN A 38 8.247 -10.247 6.255 1.00 0.00 H new ATOM 0 HA GLN A 38 6.643 -11.923 4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.202 -12.371 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.415 -13.621 5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.588 -11.744 3.183 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.925 -11.208 4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.571 -12.893 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.963 -14.124 3.602 1.00 0.00 H new ATOM 589 N ASP A 39 6.847 -12.294 7.735 1.00 0.00 N ATOM 590 CA ASP A 39 6.190 -12.897 8.889 1.00 0.00 C ATOM 591 C ASP A 39 6.309 -11.997 10.114 1.00 0.00 C ATOM 592 O ASP A 39 6.919 -10.929 10.055 1.00 0.00 O ATOM 593 CB ASP A 39 6.796 -14.269 9.188 1.00 0.00 C ATOM 594 CG ASP A 39 6.419 -15.308 8.150 1.00 0.00 C ATOM 595 OD1 ASP A 39 6.917 -15.214 7.009 1.00 0.00 O ATOM 596 OD2 ASP A 39 5.625 -16.214 8.479 1.00 0.00 O ATOM 0 H ASP A 39 7.620 -11.670 7.968 1.00 0.00 H new ATOM 0 HA ASP A 39 5.133 -13.019 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.882 -14.181 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.463 -14.604 10.170 1.00 0.00 H new ATOM 601 N ARG A 40 5.721 -12.434 11.223 1.00 0.00 N ATOM 602 CA ARG A 40 5.759 -11.666 12.462 1.00 0.00 C ATOM 603 C ARG A 40 7.100 -10.955 12.620 1.00 0.00 C ATOM 604 O ARG A 40 7.169 -9.850 13.156 1.00 0.00 O ATOM 605 CB ARG A 40 5.510 -12.581 13.662 1.00 0.00 C ATOM 606 CG ARG A 40 6.588 -13.635 13.858 1.00 0.00 C ATOM 607 CD ARG A 40 6.112 -14.755 14.770 1.00 0.00 C ATOM 608 NE ARG A 40 7.209 -15.627 15.184 1.00 0.00 N ATOM 609 CZ ARG A 40 8.051 -15.331 16.167 1.00 0.00 C ATOM 610 NH1 ARG A 40 7.923 -14.193 16.835 1.00 0.00 N ATOM 611 NH2 ARG A 40 9.024 -16.176 16.486 1.00 0.00 N ATOM 0 H ARG A 40 5.213 -13.316 11.289 1.00 0.00 H new ATOM 0 HA ARG A 40 4.971 -10.914 12.418 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.440 -11.973 14.564 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.547 -13.077 13.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.874 -14.048 12.891 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.478 -13.172 14.283 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.636 -14.327 15.652 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.354 -15.345 14.254 1.00 0.00 H new ATOM 0 HE ARG A 40 7.335 -16.511 14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.176 -13.542 16.594 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.572 -13.969 17.590 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.125 -17.053 15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.670 -15.948 17.241 1.00 0.00 H new ATOM 625 N ASN A 41 8.164 -11.598 12.149 1.00 0.00 N ATOM 626 CA ASN A 41 9.503 -11.028 12.240 1.00 0.00 C ATOM 627 C ASN A 41 9.673 -9.879 11.251 1.00 0.00 C ATOM 628 O ASN A 41 10.468 -9.963 10.315 1.00 0.00 O ATOM 629 CB ASN A 41 10.557 -12.105 11.973 1.00 0.00 C ATOM 630 CG ASN A 41 10.282 -12.880 10.698 1.00 0.00 C ATOM 631 OD1 ASN A 41 9.471 -13.806 10.685 1.00 0.00 O ATOM 632 ND2 ASN A 41 10.959 -12.503 9.619 1.00 0.00 N ATOM 0 H ASN A 41 8.125 -12.513 11.701 1.00 0.00 H new ATOM 0 HA ASN A 41 9.638 -10.639 13.249 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.540 -11.639 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.588 -12.796 12.815 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.816 -12.987 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.621 -11.729 9.677 1.00 0.00 H new ATOM 639 N ARG A 42 8.921 -8.805 11.467 1.00 0.00 N ATOM 640 CA ARG A 42 8.987 -7.638 10.595 1.00 0.00 C ATOM 641 C ARG A 42 10.434 -7.295 10.254 1.00 0.00 C ATOM 642 O ARG A 42 10.746 -6.930 9.121 1.00 0.00 O ATOM 643 CB ARG A 42 8.311 -6.438 11.261 1.00 0.00 C ATOM 644 CG ARG A 42 6.851 -6.677 11.609 1.00 0.00 C ATOM 645 CD ARG A 42 6.305 -5.578 12.508 1.00 0.00 C ATOM 646 NE ARG A 42 6.534 -5.864 13.922 1.00 0.00 N ATOM 647 CZ ARG A 42 5.928 -6.845 14.581 1.00 0.00 C ATOM 648 NH1 ARG A 42 5.062 -7.631 13.957 1.00 0.00 N ATOM 649 NH2 ARG A 42 6.189 -7.042 15.867 1.00 0.00 N ATOM 0 H ARG A 42 8.259 -8.719 12.238 1.00 0.00 H new ATOM 0 HA ARG A 42 8.461 -7.876 9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.855 -6.184 12.170 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.381 -5.577 10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.261 -6.726 10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.748 -7.641 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.776 -4.630 12.249 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.236 -5.462 12.330 1.00 0.00 H new ATOM 0 HE ARG A 42 7.196 -5.278 14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.860 -7.483 12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.598 -8.384 14.466 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.855 -6.440 16.350 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.723 -7.796 16.372 1.00 0.00 H new ATOM 663 N SER A 43 11.314 -7.416 11.243 1.00 0.00 N ATOM 664 CA SER A 43 12.728 -7.115 11.050 1.00 0.00 C ATOM 665 C SER A 43 13.176 -7.496 9.642 1.00 0.00 C ATOM 666 O SER A 43 13.914 -6.755 8.991 1.00 0.00 O ATOM 667 CB SER A 43 13.575 -7.857 12.085 1.00 0.00 C ATOM 668 OG SER A 43 13.272 -7.421 13.399 1.00 0.00 O ATOM 0 H SER A 43 11.073 -7.720 12.186 1.00 0.00 H new ATOM 0 HA SER A 43 12.867 -6.042 11.180 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.397 -8.929 12.004 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.633 -7.693 11.879 1.00 0.00 H new ATOM 0 HG SER A 43 13.825 -7.912 14.042 1.00 0.00 H new ATOM 674 N LYS A 44 12.725 -8.656 9.178 1.00 0.00 N ATOM 675 CA LYS A 44 13.078 -9.137 7.847 1.00 0.00 C ATOM 676 C LYS A 44 12.152 -8.543 6.791 1.00 0.00 C ATOM 677 O LYS A 44 11.530 -9.269 6.015 1.00 0.00 O ATOM 678 CB LYS A 44 13.008 -10.665 7.800 1.00 0.00 C ATOM 679 CG LYS A 44 14.027 -11.292 6.864 1.00 0.00 C ATOM 680 CD LYS A 44 13.615 -11.140 5.409 1.00 0.00 C ATOM 681 CE LYS A 44 14.189 -9.871 4.797 1.00 0.00 C ATOM 682 NZ LYS A 44 15.650 -9.994 4.534 1.00 0.00 N ATOM 0 H LYS A 44 12.114 -9.281 9.704 1.00 0.00 H new ATOM 0 HA LYS A 44 14.098 -8.819 7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.160 -11.058 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.008 -10.965 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.000 -10.825 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.139 -12.350 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.956 -12.006 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.528 -11.120 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.669 -9.650 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.010 -9.031 5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.954 -9.230 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.171 -9.925 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.847 -10.914 4.090 1.00 0.00 H new ATOM 696 N VAL A 45 12.065 -7.216 6.765 1.00 0.00 N ATOM 697 CA VAL A 45 11.217 -6.524 5.802 1.00 0.00 C ATOM 698 C VAL A 45 11.236 -7.226 4.449 1.00 0.00 C ATOM 699 O VAL A 45 12.295 -7.610 3.953 1.00 0.00 O ATOM 700 CB VAL A 45 11.658 -5.060 5.616 1.00 0.00 C ATOM 701 CG1 VAL A 45 10.747 -4.350 4.626 1.00 0.00 C ATOM 702 CG2 VAL A 45 11.676 -4.335 6.953 1.00 0.00 C ATOM 0 H VAL A 45 12.572 -6.599 7.400 1.00 0.00 H new ATOM 0 HA VAL A 45 10.203 -6.542 6.202 1.00 0.00 H new ATOM 0 HB VAL A 45 12.670 -5.052 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.074 -3.317 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.791 -4.858 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.723 -4.366 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.990 -3.302 6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.677 -4.351 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.374 -4.832 7.627 1.00 0.00 H new ATOM 712 N ALA A 46 10.058 -7.389 3.856 1.00 0.00 N ATOM 713 CA ALA A 46 9.940 -8.042 2.559 1.00 0.00 C ATOM 714 C ALA A 46 10.513 -7.167 1.449 1.00 0.00 C ATOM 715 O ALA A 46 11.193 -7.658 0.549 1.00 0.00 O ATOM 716 CB ALA A 46 8.485 -8.380 2.268 1.00 0.00 C ATOM 0 H ALA A 46 9.172 -7.078 4.254 1.00 0.00 H new ATOM 0 HA ALA A 46 10.517 -8.966 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.412 -8.867 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.106 -9.050 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.893 -7.465 2.260 1.00 0.00 H new ATOM 722 N GLN A 47 10.233 -5.870 1.521 1.00 0.00 N ATOM 723 CA GLN A 47 10.721 -4.927 0.521 1.00 0.00 C ATOM 724 C GLN A 47 10.367 -3.494 0.905 1.00 0.00 C ATOM 725 O GLN A 47 9.571 -3.265 1.815 1.00 0.00 O ATOM 726 CB GLN A 47 10.135 -5.260 -0.852 1.00 0.00 C ATOM 727 CG GLN A 47 8.621 -5.139 -0.914 1.00 0.00 C ATOM 728 CD GLN A 47 8.120 -4.782 -2.299 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.767 -4.033 -3.032 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.961 -5.317 -2.665 1.00 0.00 N ATOM 0 H GLN A 47 9.671 -5.448 2.261 1.00 0.00 H new ATOM 0 HA GLN A 47 11.807 -5.013 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.575 -4.596 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.421 -6.276 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.172 -6.082 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.292 -4.379 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.459 -5.932 -2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.573 -5.112 -3.586 1.00 0.00 H new ATOM 739 N GLN A 48 10.963 -2.535 0.205 1.00 0.00 N ATOM 740 CA GLN A 48 10.710 -1.124 0.474 1.00 0.00 C ATOM 741 C GLN A 48 9.227 -0.876 0.729 1.00 0.00 C ATOM 742 O GLN A 48 8.355 -1.455 0.081 1.00 0.00 O ATOM 743 CB GLN A 48 11.189 -0.266 -0.698 1.00 0.00 C ATOM 744 CG GLN A 48 11.670 1.115 -0.285 1.00 0.00 C ATOM 745 CD GLN A 48 12.572 1.754 -1.322 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.656 1.290 -2.459 1.00 0.00 O ATOM 747 NE2 GLN A 48 13.253 2.826 -0.935 1.00 0.00 N ATOM 0 H GLN A 48 11.624 -2.709 -0.552 1.00 0.00 H new ATOM 0 HA GLN A 48 11.265 -0.845 1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.999 -0.785 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.375 -0.159 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.808 1.759 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.206 1.041 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.153 3.177 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.876 3.299 -1.590 1.00 0.00 H new ATOM 756 N PRO A 49 8.932 0.006 1.696 1.00 0.00 N ATOM 757 CA PRO A 49 7.554 0.351 2.059 1.00 0.00 C ATOM 758 C PRO A 49 6.854 1.160 0.972 1.00 0.00 C ATOM 759 O PRO A 49 7.439 1.454 -0.071 1.00 0.00 O ATOM 760 CB PRO A 49 7.722 1.192 3.327 1.00 0.00 C ATOM 761 CG PRO A 49 9.092 1.766 3.223 1.00 0.00 C ATOM 762 CD PRO A 49 9.921 0.734 2.509 1.00 0.00 C ATOM 0 HA PRO A 49 6.934 -0.535 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.968 1.977 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.616 0.582 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.080 2.706 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.501 1.980 4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.690 1.195 1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.430 0.073 3.210 1.00 0.00 H new ATOM 770 N LEU A 50 5.599 1.516 1.223 1.00 0.00 N ATOM 771 CA LEU A 50 4.818 2.293 0.266 1.00 0.00 C ATOM 772 C LEU A 50 4.390 3.627 0.867 1.00 0.00 C ATOM 773 O LEU A 50 4.021 3.701 2.039 1.00 0.00 O ATOM 774 CB LEU A 50 3.587 1.501 -0.179 1.00 0.00 C ATOM 775 CG LEU A 50 3.771 0.605 -1.404 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.533 -0.247 -1.634 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.080 1.443 -2.636 1.00 0.00 C ATOM 0 H LEU A 50 5.100 1.279 2.081 1.00 0.00 H new ATOM 0 HA LEU A 50 5.447 2.493 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.259 0.880 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.782 2.206 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 50 4.615 -0.060 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.683 -0.878 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.356 -0.875 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.671 0.400 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.208 0.789 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.257 2.133 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.997 2.009 -2.471 1.00 0.00 H new ATOM 789 N SER A 51 4.438 4.679 0.056 1.00 0.00 N ATOM 790 CA SER A 51 4.057 6.011 0.509 1.00 0.00 C ATOM 791 C SER A 51 2.628 6.340 0.085 1.00 0.00 C ATOM 792 O SER A 51 2.407 7.057 -0.892 1.00 0.00 O ATOM 793 CB SER A 51 5.021 7.059 -0.051 1.00 0.00 C ATOM 794 OG SER A 51 5.066 7.005 -1.467 1.00 0.00 O ATOM 0 H SER A 51 4.737 4.634 -0.918 1.00 0.00 H new ATOM 0 HA SER A 51 4.108 6.026 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.708 8.053 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.019 6.893 0.354 1.00 0.00 H new ATOM 0 HG SER A 51 4.153 7.016 -1.824 1.00 0.00 H new ATOM 800 N LEU A 52 1.662 5.811 0.827 1.00 0.00 N ATOM 801 CA LEU A 52 0.253 6.048 0.530 1.00 0.00 C ATOM 802 C LEU A 52 -0.019 7.535 0.329 1.00 0.00 C ATOM 803 O LEU A 52 -0.777 7.924 -0.560 1.00 0.00 O ATOM 804 CB LEU A 52 -0.625 5.506 1.660 1.00 0.00 C ATOM 805 CG LEU A 52 -0.394 4.044 2.047 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.061 3.733 3.377 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.912 3.116 0.958 1.00 0.00 C ATOM 0 H LEU A 52 1.828 5.215 1.638 1.00 0.00 H new ATOM 0 HA LEU A 52 0.009 5.525 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.468 6.124 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.669 5.624 1.370 1.00 0.00 H new ATOM 0 HG LEU A 52 0.678 3.881 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.886 2.689 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.643 4.374 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.133 3.912 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.739 2.080 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.980 3.280 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.388 3.322 0.025 1.00 0.00 H new ATOM 819 N VAL A 53 0.606 8.364 1.159 1.00 0.00 N ATOM 820 CA VAL A 53 0.434 9.809 1.070 1.00 0.00 C ATOM 821 C VAL A 53 0.648 10.301 -0.357 1.00 0.00 C ATOM 822 O VAL A 53 1.774 10.583 -0.765 1.00 0.00 O ATOM 823 CB VAL A 53 1.407 10.548 2.008 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.205 12.053 1.908 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.230 10.072 3.442 1.00 0.00 C ATOM 0 H VAL A 53 1.236 8.059 1.901 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.589 10.026 1.376 1.00 0.00 H new ATOM 0 HB VAL A 53 2.427 10.321 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.901 12.559 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.387 12.377 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.183 12.302 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.925 10.605 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.208 10.268 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.430 9.002 3.497 1.00 0.00 H new ATOM 835 N GLY A 54 -0.442 10.402 -1.112 1.00 0.00 N ATOM 836 CA GLY A 54 -0.352 10.860 -2.486 1.00 0.00 C ATOM 837 C GLY A 54 -0.985 9.890 -3.463 1.00 0.00 C ATOM 838 O GLY A 54 -1.523 10.298 -4.493 1.00 0.00 O ATOM 0 H GLY A 54 -1.385 10.175 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.840 11.831 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.696 11.005 -2.750 1.00 0.00 H new ATOM 842 N CYS A 55 -0.920 8.603 -3.142 1.00 0.00 N ATOM 843 CA CYS A 55 -1.489 7.571 -4.002 1.00 0.00 C ATOM 844 C CYS A 55 -3.010 7.543 -3.884 1.00 0.00 C ATOM 845 O CYS A 55 -3.599 8.333 -3.148 1.00 0.00 O ATOM 846 CB CYS A 55 -0.912 6.201 -3.640 1.00 0.00 C ATOM 847 SG CYS A 55 0.881 6.193 -3.410 1.00 0.00 S ATOM 0 H CYS A 55 -0.479 8.249 -2.293 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.227 7.807 -5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.387 5.849 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.170 5.491 -4.426 1.00 0.00 H new ATOM 0 HG CYS A 55 1.168 6.627 -2.219 1.00 0.00 H new ATOM 853 N GLU A 56 -3.638 6.627 -4.615 1.00 0.00 N ATOM 854 CA GLU A 56 -5.090 6.499 -4.594 1.00 0.00 C ATOM 855 C GLU A 56 -5.509 5.035 -4.703 1.00 0.00 C ATOM 856 O GLU A 56 -5.086 4.324 -5.615 1.00 0.00 O ATOM 857 CB GLU A 56 -5.712 7.305 -5.736 1.00 0.00 C ATOM 858 CG GLU A 56 -7.220 7.149 -5.839 1.00 0.00 C ATOM 859 CD GLU A 56 -7.967 8.030 -4.856 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.391 9.045 -4.412 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.128 7.704 -4.531 1.00 0.00 O ATOM 0 H GLU A 56 -3.164 5.964 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.450 6.892 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.473 8.359 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.258 6.996 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.538 7.392 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.486 6.107 -5.662 1.00 0.00 H new ATOM 868 N VAL A 57 -6.341 4.592 -3.766 1.00 0.00 N ATOM 869 CA VAL A 57 -6.818 3.215 -3.757 1.00 0.00 C ATOM 870 C VAL A 57 -8.131 3.082 -4.521 1.00 0.00 C ATOM 871 O VAL A 57 -9.108 3.768 -4.222 1.00 0.00 O ATOM 872 CB VAL A 57 -7.020 2.700 -2.319 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.445 1.240 -2.329 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.749 2.889 -1.503 1.00 0.00 C ATOM 0 H VAL A 57 -6.699 5.167 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.053 2.613 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.815 3.281 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.583 0.894 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.382 1.138 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.675 0.640 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.909 2.520 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.933 2.334 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.494 3.948 -1.467 1.00 0.00 H new ATOM 884 N VAL A 58 -8.146 2.193 -5.510 1.00 0.00 N ATOM 885 CA VAL A 58 -9.339 1.968 -6.317 1.00 0.00 C ATOM 886 C VAL A 58 -9.702 0.488 -6.361 1.00 0.00 C ATOM 887 O VAL A 58 -8.848 -0.381 -6.536 1.00 0.00 O ATOM 888 CB VAL A 58 -9.148 2.482 -7.756 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.431 3.974 -7.833 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.743 2.171 -8.250 1.00 0.00 C ATOM 0 H VAL A 58 -7.345 1.617 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.150 2.524 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.859 1.969 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.291 4.319 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.458 4.166 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.747 4.509 -7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.625 2.541 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.014 2.656 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.582 1.093 -8.235 1.00 0.00 H new ATOM 900 N PRO A 59 -11.000 0.192 -6.199 1.00 0.00 N ATOM 901 CA PRO A 59 -11.507 -1.183 -6.217 1.00 0.00 C ATOM 902 C PRO A 59 -11.437 -1.808 -7.606 1.00 0.00 C ATOM 903 O PRO A 59 -12.370 -1.686 -8.400 1.00 0.00 O ATOM 904 CB PRO A 59 -12.963 -1.031 -5.772 1.00 0.00 C ATOM 905 CG PRO A 59 -13.329 0.365 -6.144 1.00 0.00 C ATOM 906 CD PRO A 59 -12.074 1.177 -5.986 1.00 0.00 C ATOM 0 HA PRO A 59 -10.919 -1.842 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.607 -1.755 -6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.069 -1.196 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.698 0.412 -7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.123 0.745 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.026 1.987 -6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.012 1.632 -4.997 1.00 0.00 H new ATOM 914 N ASP A 60 -10.326 -2.478 -7.893 1.00 0.00 N ATOM 915 CA ASP A 60 -10.135 -3.124 -9.187 1.00 0.00 C ATOM 916 C ASP A 60 -10.255 -4.640 -9.060 1.00 0.00 C ATOM 917 O ASP A 60 -9.262 -5.368 -9.069 1.00 0.00 O ATOM 918 CB ASP A 60 -8.770 -2.755 -9.768 1.00 0.00 C ATOM 919 CG ASP A 60 -8.730 -2.882 -11.279 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.792 -2.718 -11.916 1.00 0.00 O ATOM 921 OD2 ASP A 60 -7.638 -3.143 -11.823 1.00 0.00 O ATOM 0 H ASP A 60 -9.544 -2.588 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.915 -2.771 -9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.523 -1.732 -9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.007 -3.399 -9.332 1.00 0.00 H new ATOM 926 N PRO A 61 -11.498 -5.127 -8.939 1.00 0.00 N ATOM 927 CA PRO A 61 -11.777 -6.560 -8.807 1.00 0.00 C ATOM 928 C PRO A 61 -11.498 -7.326 -10.096 1.00 0.00 C ATOM 929 O PRO A 61 -11.246 -6.728 -11.142 1.00 0.00 O ATOM 930 CB PRO A 61 -13.271 -6.602 -8.474 1.00 0.00 C ATOM 931 CG PRO A 61 -13.822 -5.341 -9.046 1.00 0.00 C ATOM 932 CD PRO A 61 -12.728 -4.317 -8.921 1.00 0.00 C ATOM 0 HA PRO A 61 -11.145 -7.030 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.750 -7.478 -8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.435 -6.654 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.111 -5.479 -10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.715 -5.026 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.751 -3.603 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.818 -3.744 -7.998 1.00 0.00 H new ATOM 940 N SER A 62 -11.545 -8.652 -10.014 1.00 0.00 N ATOM 941 CA SER A 62 -11.294 -9.499 -11.174 1.00 0.00 C ATOM 942 C SER A 62 -12.390 -10.549 -11.327 1.00 0.00 C ATOM 943 O SER A 62 -13.195 -10.780 -10.424 1.00 0.00 O ATOM 944 CB SER A 62 -9.931 -10.183 -11.046 1.00 0.00 C ATOM 945 OG SER A 62 -10.076 -11.545 -10.683 1.00 0.00 O ATOM 0 H SER A 62 -11.755 -9.163 -9.156 1.00 0.00 H new ATOM 0 HA SER A 62 -11.294 -8.867 -12.062 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.394 -10.111 -11.992 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.330 -9.666 -10.298 1.00 0.00 H new ATOM 0 HG SER A 62 -9.191 -11.960 -10.609 1.00 0.00 H new ATOM 951 N PRO A 63 -12.423 -11.201 -12.499 1.00 0.00 N ATOM 952 CA PRO A 63 -13.415 -12.238 -12.800 1.00 0.00 C ATOM 953 C PRO A 63 -13.191 -13.508 -11.987 1.00 0.00 C ATOM 954 O PRO A 63 -13.913 -14.493 -12.143 1.00 0.00 O ATOM 955 CB PRO A 63 -13.201 -12.512 -14.290 1.00 0.00 C ATOM 956 CG PRO A 63 -11.786 -12.125 -14.547 1.00 0.00 C ATOM 957 CD PRO A 63 -11.495 -10.977 -13.620 1.00 0.00 C ATOM 0 HA PRO A 63 -14.427 -11.918 -12.553 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.374 -13.561 -14.528 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.888 -11.929 -14.903 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.112 -12.961 -14.357 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.644 -11.832 -15.587 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.456 -10.981 -13.289 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.672 -10.016 -14.103 1.00 0.00 H new ATOM 965 N ASP A 64 -12.185 -13.480 -11.119 1.00 0.00 N ATOM 966 CA ASP A 64 -11.866 -14.629 -10.280 1.00 0.00 C ATOM 967 C ASP A 64 -11.924 -14.256 -8.802 1.00 0.00 C ATOM 968 O ASP A 64 -11.822 -15.118 -7.929 1.00 0.00 O ATOM 969 CB ASP A 64 -10.480 -15.173 -10.628 1.00 0.00 C ATOM 970 CG ASP A 64 -10.183 -16.489 -9.937 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.761 -17.518 -10.345 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.372 -16.490 -8.987 1.00 0.00 O ATOM 0 H ASP A 64 -11.576 -12.674 -10.978 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.609 -15.403 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.407 -15.308 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.724 -14.440 -10.347 1.00 0.00 H new ATOM 977 N HIS A 65 -12.086 -12.965 -8.529 1.00 0.00 N ATOM 978 CA HIS A 65 -12.157 -12.478 -7.156 1.00 0.00 C ATOM 979 C HIS A 65 -12.542 -11.002 -7.123 1.00 0.00 C ATOM 980 O HIS A 65 -11.755 -10.135 -7.508 1.00 0.00 O ATOM 981 CB HIS A 65 -10.816 -12.683 -6.450 1.00 0.00 C ATOM 982 CG HIS A 65 -10.694 -14.013 -5.772 1.00 0.00 C ATOM 983 ND1 HIS A 65 -11.333 -14.315 -4.588 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.002 -15.123 -6.119 1.00 0.00 C ATOM 985 CE1 HIS A 65 -11.038 -15.554 -4.235 1.00 0.00 C ATOM 986 NE2 HIS A 65 -10.232 -16.066 -5.148 1.00 0.00 N ATOM 0 H HIS A 65 -12.170 -12.238 -9.240 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.925 -13.048 -6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.012 -12.580 -7.178 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.679 -11.894 -5.711 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.384 -15.244 -6.996 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.395 -16.061 -3.351 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.844 -17.009 -5.134 1.00 0.00 H new ATOM 995 N LEU A 66 -13.756 -10.722 -6.662 1.00 0.00 N ATOM 996 CA LEU A 66 -14.246 -9.351 -6.579 1.00 0.00 C ATOM 997 C LEU A 66 -13.749 -8.671 -5.307 1.00 0.00 C ATOM 998 O LEU A 66 -14.343 -7.700 -4.838 1.00 0.00 O ATOM 999 CB LEU A 66 -15.775 -9.332 -6.617 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.432 -10.228 -7.668 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.860 -10.563 -7.267 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.402 -9.558 -9.034 1.00 0.00 C ATOM 0 H LEU A 66 -14.419 -11.427 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.860 -8.801 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.146 -9.625 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.101 -8.306 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.867 -11.158 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.311 -11.201 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.856 -11.085 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.438 -9.643 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.874 -10.210 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.942 -8.613 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.368 -9.371 -9.325 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.656 -9.186 -4.756 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.079 -8.628 -3.538 1.00 0.00 C ATOM 1016 C TYR A 67 -10.621 -8.237 -3.756 1.00 0.00 C ATOM 1017 O TYR A 67 -9.758 -8.528 -2.927 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.183 -9.636 -2.392 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.409 -10.517 -2.470 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.659 -9.979 -2.753 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.318 -11.888 -2.261 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.782 -10.780 -2.824 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.436 -12.697 -2.331 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.665 -12.138 -2.613 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.782 -12.940 -2.684 1.00 0.00 O ATOM 0 H TYR A 67 -12.152 -9.989 -5.133 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.641 -7.732 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.293 -10.265 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.193 -9.097 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.754 -8.916 -2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.357 -12.329 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.746 -10.346 -3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.348 -13.761 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.528 -13.871 -2.512 1.00 0.00 H new ATOM 1035 N SER A 68 -10.353 -7.575 -4.877 1.00 0.00 N ATOM 1036 CA SER A 68 -8.999 -7.146 -5.207 1.00 0.00 C ATOM 1037 C SER A 68 -8.959 -5.649 -5.495 1.00 0.00 C ATOM 1038 O SER A 68 -9.714 -5.144 -6.327 1.00 0.00 O ATOM 1039 CB SER A 68 -8.475 -7.924 -6.416 1.00 0.00 C ATOM 1040 OG SER A 68 -7.225 -7.415 -6.847 1.00 0.00 O ATOM 0 H SER A 68 -11.056 -7.324 -5.572 1.00 0.00 H new ATOM 0 HA SER A 68 -8.360 -7.350 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.372 -8.978 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.196 -7.864 -7.231 1.00 0.00 H new ATOM 0 HG SER A 68 -6.532 -8.095 -6.715 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.073 -4.943 -4.801 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.933 -3.502 -4.980 1.00 0.00 C ATOM 1048 C PHE A 69 -6.491 -3.132 -5.314 1.00 0.00 C ATOM 1049 O PHE A 69 -5.556 -3.847 -4.952 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.382 -2.764 -3.718 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.871 -3.382 -2.448 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.498 -4.490 -1.900 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.764 -2.857 -1.802 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -8.030 -5.061 -0.732 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.291 -3.424 -0.634 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.925 -4.528 -0.098 1.00 0.00 C ATOM 0 H PHE A 69 -7.441 -5.345 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.568 -3.202 -5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.042 -1.730 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.471 -2.741 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.362 -4.912 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.264 -1.994 -2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.528 -5.924 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.427 -3.004 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.557 -4.973 0.815 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.319 -2.011 -6.007 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.991 -1.547 -6.391 1.00 0.00 C ATOM 1068 C ARG A 70 -4.829 -0.059 -6.094 1.00 0.00 C ATOM 1069 O ARG A 70 -5.811 0.654 -5.890 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.746 -1.811 -7.878 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.807 -1.210 -8.786 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.348 -1.182 -10.235 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.974 -0.097 -10.986 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.024 -0.054 -12.313 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.488 -1.032 -13.031 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.611 0.967 -12.924 1.00 0.00 N ATOM 0 H ARG A 70 -7.082 -1.408 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.256 -2.099 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.772 -1.407 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.704 -2.887 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.727 -1.789 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.038 -0.197 -8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.264 -1.069 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.585 -2.135 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.396 0.670 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.037 -1.819 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.527 -0.997 -14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.025 1.720 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.648 0.998 -13.943 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.582 0.401 -6.070 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.292 1.803 -5.798 1.00 0.00 C ATOM 1092 C ILE A 71 -2.693 2.488 -7.022 1.00 0.00 C ATOM 1093 O ILE A 71 -1.997 1.859 -7.820 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.321 1.957 -4.612 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.579 0.868 -3.569 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.461 3.338 -3.989 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.562 0.850 -2.449 1.00 0.00 C ATOM 0 H ILE A 71 -2.758 -0.176 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.240 2.278 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.301 1.847 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.573 1.011 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.581 -0.104 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.769 3.432 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.233 4.099 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.482 3.474 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.808 0.053 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.569 0.676 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.576 1.808 -1.929 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.968 3.780 -7.163 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.455 4.552 -8.290 1.00 0.00 C ATOM 1111 C LEU A 72 -2.045 5.953 -7.848 1.00 0.00 C ATOM 1112 O LEU A 72 -2.705 6.570 -7.011 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.510 4.642 -9.394 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.341 3.381 -9.633 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.747 3.745 -10.082 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.666 2.484 -10.661 1.00 0.00 C ATOM 0 H LEU A 72 -3.543 4.315 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.574 4.041 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.189 5.460 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.010 4.905 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.413 2.833 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.323 2.835 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.231 4.346 -9.312 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.697 4.316 -11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.271 1.591 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.563 3.023 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.680 2.194 -10.299 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.952 6.452 -8.417 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.455 7.782 -8.084 1.00 0.00 C ATOM 1130 C HIS A 73 -0.874 8.799 -9.141 1.00 0.00 C ATOM 1131 O HIS A 73 -1.652 9.713 -8.865 1.00 0.00 O ATOM 1132 CB HIS A 73 1.068 7.762 -7.953 1.00 0.00 C ATOM 1133 CG HIS A 73 1.644 9.056 -7.464 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.817 9.590 -7.953 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.200 9.923 -6.524 1.00 0.00 C ATOM 1136 CE1 HIS A 73 3.071 10.729 -7.334 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.104 10.955 -6.463 1.00 0.00 N ATOM 0 H HIS A 73 -0.394 5.955 -9.111 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.890 8.077 -7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.355 6.964 -7.268 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.505 7.523 -8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.302 9.822 -5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.924 11.367 -7.510 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.039 11.764 -5.846 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.352 8.635 -10.352 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.672 9.537 -11.452 1.00 0.00 C ATOM 1148 C LYS A 74 -1.209 8.764 -12.652 1.00 0.00 C ATOM 1149 O LYS A 74 -0.862 9.055 -13.796 1.00 0.00 O ATOM 1150 CB LYS A 74 0.569 10.336 -11.860 1.00 0.00 C ATOM 1151 CG LYS A 74 1.498 10.651 -10.701 1.00 0.00 C ATOM 1152 CD LYS A 74 1.181 12.002 -10.083 1.00 0.00 C ATOM 1153 CE LYS A 74 2.013 13.110 -10.711 1.00 0.00 C ATOM 1154 NZ LYS A 74 1.303 13.762 -11.846 1.00 0.00 N ATOM 0 H LYS A 74 0.295 7.885 -10.596 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.445 10.226 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.120 9.775 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.253 11.270 -12.325 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.411 9.873 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.531 10.643 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.122 12.223 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.371 11.966 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.252 13.858 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.959 12.699 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.775 14.659 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.321 13.133 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.316 13.950 -11.576 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.060 7.779 -12.382 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.633 6.980 -13.450 1.00 0.00 C ATOM 1170 C GLY A 75 -1.938 5.643 -13.611 1.00 0.00 C ATOM 1171 O GLY A 75 -2.366 4.806 -14.404 1.00 0.00 O ATOM 0 H GLY A 75 -2.363 7.520 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.691 6.814 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.571 7.533 -14.387 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.862 5.442 -12.856 1.00 0.00 N ATOM 1176 CA GLU A 76 -0.106 4.197 -12.921 1.00 0.00 C ATOM 1177 C GLU A 76 -0.471 3.277 -11.760 1.00 0.00 C ATOM 1178 O GLU A 76 -1.319 3.612 -10.934 1.00 0.00 O ATOM 1179 CB GLU A 76 1.397 4.486 -12.905 1.00 0.00 C ATOM 1180 CG GLU A 76 2.024 4.530 -14.288 1.00 0.00 C ATOM 1181 CD GLU A 76 1.986 5.915 -14.903 1.00 0.00 C ATOM 1182 OE1 GLU A 76 0.881 6.486 -15.013 1.00 0.00 O ATOM 1183 OE2 GLU A 76 3.063 6.429 -15.272 1.00 0.00 O ATOM 0 H GLU A 76 -0.495 6.125 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.362 3.694 -13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.569 5.440 -12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.899 3.721 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.059 4.193 -14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.501 3.832 -14.942 1.00 0.00 H new ATOM 1190 N GLU A 77 0.176 2.117 -11.706 1.00 0.00 N ATOM 1191 CA GLU A 77 -0.081 1.149 -10.646 1.00 0.00 C ATOM 1192 C GLU A 77 1.160 0.943 -9.784 1.00 0.00 C ATOM 1193 O GLU A 77 2.191 0.468 -10.262 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.528 -0.187 -11.244 1.00 0.00 C ATOM 1195 CG GLU A 77 -1.020 -1.184 -10.208 1.00 0.00 C ATOM 1196 CD GLU A 77 -1.597 -2.439 -10.834 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -2.139 -2.347 -11.955 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -1.506 -3.512 -10.203 1.00 0.00 O ATOM 0 H GLU A 77 0.881 1.825 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.878 1.542 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.324 -0.004 -11.966 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.305 -0.627 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.194 -1.457 -9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.779 -0.711 -9.586 1.00 0.00 H new ATOM 1205 N LEU A 78 1.054 1.304 -8.510 1.00 0.00 N ATOM 1206 CA LEU A 78 2.168 1.160 -7.578 1.00 0.00 C ATOM 1207 C LEU A 78 2.157 -0.219 -6.926 1.00 0.00 C ATOM 1208 O LEU A 78 3.173 -0.913 -6.902 1.00 0.00 O ATOM 1209 CB LEU A 78 2.103 2.246 -6.503 1.00 0.00 C ATOM 1210 CG LEU A 78 2.134 3.690 -7.006 1.00 0.00 C ATOM 1211 CD1 LEU A 78 1.993 4.662 -5.845 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.419 3.959 -7.776 1.00 0.00 C ATOM 0 H LEU A 78 0.208 1.699 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 78 3.096 1.269 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.190 2.103 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.939 2.103 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 78 1.291 3.838 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.017 5.685 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.046 4.485 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.815 4.514 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.424 4.991 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.276 3.793 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.479 3.285 -8.631 1.00 0.00 H new ATOM 1224 N ALA A 79 1.001 -0.610 -6.399 1.00 0.00 N ATOM 1225 CA ALA A 79 0.857 -1.907 -5.750 1.00 0.00 C ATOM 1226 C ALA A 79 -0.509 -2.519 -6.044 1.00 0.00 C ATOM 1227 O ALA A 79 -1.395 -1.856 -6.583 1.00 0.00 O ATOM 1228 CB ALA A 79 1.064 -1.772 -4.249 1.00 0.00 C ATOM 0 H ALA A 79 0.151 -0.047 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 79 1.620 -2.574 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.954 -2.748 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.064 -1.385 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.323 -1.085 -3.840 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.672 -3.788 -5.687 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.929 -4.491 -5.912 1.00 0.00 C ATOM 1236 C LYS A 80 -2.185 -5.514 -4.811 1.00 0.00 C ATOM 1237 O LYS A 80 -1.489 -6.526 -4.715 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.912 -5.187 -7.275 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.253 -5.779 -7.673 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.425 -5.805 -9.183 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.348 -6.932 -9.619 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.106 -7.331 -11.033 1.00 0.00 N ATOM 0 H LYS A 80 0.052 -4.351 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.734 -3.757 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.601 -4.471 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.165 -5.980 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.336 -6.792 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.057 -5.196 -7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.829 -4.851 -9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.452 -5.925 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.201 -7.794 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.385 -6.618 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.455 -8.299 -11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.607 -6.678 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.086 -7.295 -11.234 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.188 -5.246 -3.982 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.538 -6.145 -2.887 1.00 0.00 C ATOM 1258 C LEU A 81 -4.887 -6.810 -3.138 1.00 0.00 C ATOM 1259 O LEU A 81 -5.686 -6.331 -3.942 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.572 -5.379 -1.564 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.275 -4.677 -1.161 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.068 -5.501 -1.580 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.210 -3.284 -1.772 1.00 0.00 C ATOM 0 H LEU A 81 -3.774 -4.413 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.776 -6.923 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.364 -4.632 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.846 -6.075 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.261 -4.578 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.155 -4.985 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.107 -6.476 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.076 -5.634 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.280 -2.799 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.247 -3.361 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.056 -2.693 -1.421 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.135 -7.916 -2.443 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.388 -8.646 -2.590 1.00 0.00 C ATOM 1277 C GLU A 82 -6.827 -9.247 -1.258 1.00 0.00 C ATOM 1278 O GLU A 82 -6.038 -9.888 -0.564 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.241 -9.751 -3.638 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.121 -10.961 -3.374 1.00 0.00 C ATOM 1281 CD GLU A 82 -7.242 -11.869 -4.582 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.449 -11.347 -5.697 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -7.130 -13.101 -4.412 1.00 0.00 O ATOM 0 H GLU A 82 -4.484 -8.326 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.152 -7.942 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.483 -9.344 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.199 -10.070 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.712 -11.528 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.114 -10.625 -3.076 1.00 0.00 H new ATOM 1290 N ALA A 83 -8.092 -9.035 -0.908 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.637 -9.557 0.339 1.00 0.00 C ATOM 1292 C ALA A 83 -9.207 -10.958 0.145 1.00 0.00 C ATOM 1293 O ALA A 83 -9.073 -11.552 -0.925 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.706 -8.620 0.881 1.00 0.00 C ATOM 0 H ALA A 83 -8.758 -8.506 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.825 -9.621 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.104 -9.022 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.269 -7.639 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.511 -8.527 0.152 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.843 -11.482 1.187 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.435 -12.814 1.133 1.00 0.00 C ATOM 1302 C LYS A 84 -11.922 -12.735 0.805 1.00 0.00 C ATOM 1303 O LYS A 84 -12.445 -13.554 0.048 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.233 -13.539 2.465 1.00 0.00 C ATOM 1305 CG LYS A 84 -11.008 -12.923 3.616 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.754 -13.663 4.919 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.763 -14.781 5.131 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.284 -16.074 4.568 1.00 0.00 N ATOM 0 H LYS A 84 -9.962 -11.004 2.080 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.936 -13.375 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.534 -14.580 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.171 -13.539 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.723 -11.877 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.074 -12.940 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.746 -14.078 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.805 -12.962 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.956 -14.898 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.709 -14.510 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.999 -16.455 3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.394 -15.920 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.124 -16.751 5.341 1.00 0.00 H new ATOM 1322 N SER A 85 -12.598 -11.744 1.377 1.00 0.00 N ATOM 1323 CA SER A 85 -14.026 -11.560 1.147 1.00 0.00 C ATOM 1324 C SER A 85 -14.333 -10.117 0.760 1.00 0.00 C ATOM 1325 O SER A 85 -13.475 -9.240 0.862 1.00 0.00 O ATOM 1326 CB SER A 85 -14.820 -11.944 2.398 1.00 0.00 C ATOM 1327 OG SER A 85 -16.131 -11.409 2.354 1.00 0.00 O ATOM 0 H SER A 85 -12.180 -11.056 2.003 1.00 0.00 H new ATOM 0 HA SER A 85 -14.322 -12.210 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.870 -13.030 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.304 -11.579 3.286 1.00 0.00 H new ATOM 0 HG SER A 85 -16.618 -11.670 3.163 1.00 0.00 H new ATOM 1333 N SER A 86 -15.562 -9.878 0.315 1.00 0.00 N ATOM 1334 CA SER A 86 -15.982 -8.542 -0.091 1.00 0.00 C ATOM 1335 C SER A 86 -15.922 -7.572 1.085 1.00 0.00 C ATOM 1336 O SER A 86 -15.453 -6.443 0.947 1.00 0.00 O ATOM 1337 CB SER A 86 -17.402 -8.582 -0.661 1.00 0.00 C ATOM 1338 OG SER A 86 -17.848 -7.283 -1.009 1.00 0.00 O ATOM 0 H SER A 86 -16.285 -10.592 0.226 1.00 0.00 H new ATOM 0 HA SER A 86 -15.297 -8.192 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.426 -9.226 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.080 -9.018 0.073 1.00 0.00 H new ATOM 0 HG SER A 86 -18.757 -7.335 -1.372 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.399 -8.023 2.241 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.400 -7.195 3.441 1.00 0.00 C ATOM 1346 C GLU A 87 -14.978 -6.805 3.834 1.00 0.00 C ATOM 1347 O GLU A 87 -14.723 -5.669 4.234 1.00 0.00 O ATOM 1348 CB GLU A 87 -17.075 -7.934 4.598 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.588 -7.791 4.611 1.00 0.00 C ATOM 1350 CD GLU A 87 -19.268 -8.692 3.598 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -19.422 -9.897 3.886 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.647 -8.192 2.518 1.00 0.00 O ATOM 0 H GLU A 87 -16.789 -8.956 2.372 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.961 -6.286 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.819 -8.992 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.675 -7.559 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.963 -8.024 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.853 -6.754 4.405 1.00 0.00 H new ATOM 1359 N GLU A 88 -14.056 -7.756 3.718 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.660 -7.512 4.062 1.00 0.00 C ATOM 1361 C GLU A 88 -12.084 -6.374 3.225 1.00 0.00 C ATOM 1362 O GLU A 88 -11.550 -5.403 3.762 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.832 -8.782 3.855 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.580 -8.838 4.715 1.00 0.00 C ATOM 1365 CD GLU A 88 -10.819 -9.517 6.050 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -11.917 -9.341 6.617 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -9.907 -10.225 6.526 1.00 0.00 O ATOM 0 H GLU A 88 -14.251 -8.702 3.389 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.616 -7.225 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.453 -9.651 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.546 -8.852 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.797 -9.371 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.216 -7.825 4.887 1.00 0.00 H new ATOM 1374 N MET A 89 -12.196 -6.501 1.907 1.00 0.00 N ATOM 1375 CA MET A 89 -11.686 -5.483 0.995 1.00 0.00 C ATOM 1376 C MET A 89 -12.286 -4.117 1.316 1.00 0.00 C ATOM 1377 O MET A 89 -11.630 -3.089 1.158 1.00 0.00 O ATOM 1378 CB MET A 89 -11.999 -5.863 -0.453 1.00 0.00 C ATOM 1379 CG MET A 89 -13.487 -5.902 -0.764 1.00 0.00 C ATOM 1380 SD MET A 89 -13.842 -5.593 -2.504 1.00 0.00 S ATOM 1381 CE MET A 89 -12.866 -4.119 -2.793 1.00 0.00 C ATOM 0 H MET A 89 -12.635 -7.298 1.446 1.00 0.00 H new ATOM 0 HA MET A 89 -10.605 -5.425 1.122 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.516 -5.149 -1.120 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.566 -6.841 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.887 -6.876 -0.483 1.00 0.00 H new ATOM 0 HG3 MET A 89 -14.001 -5.158 -0.155 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.359 -3.497 -3.539 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.767 -3.560 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.877 -4.402 -3.153 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.536 -4.116 1.767 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.203 -2.871 2.102 1.00 0.00 C ATOM 1393 C GLY A 90 -13.566 -2.174 3.289 1.00 0.00 C ATOM 1394 O GLY A 90 -13.618 -0.949 3.399 1.00 0.00 O ATOM 0 H GLY A 90 -14.099 -4.955 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.180 -2.206 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.252 -3.072 2.322 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.966 -2.956 4.180 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.317 -2.406 5.365 1.00 0.00 C ATOM 1400 C HIS A 91 -10.954 -1.817 5.015 1.00 0.00 C ATOM 1401 O HIS A 91 -10.488 -0.880 5.663 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.159 -3.488 6.434 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.113 -3.170 7.458 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.362 -2.403 8.576 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.808 -3.522 7.528 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.256 -2.295 9.289 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.298 -2.966 8.676 1.00 0.00 N ATOM 0 H HIS A 91 -12.915 -3.972 4.104 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.948 -1.608 5.757 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.115 -3.633 6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.907 -4.431 5.950 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.268 -4.127 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.152 -1.750 10.216 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.336 -3.057 9.002 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.322 -2.372 3.988 1.00 0.00 N ATOM 1417 CA TRP A 92 -9.012 -1.901 3.553 1.00 0.00 C ATOM 1418 C TRP A 92 -9.144 -0.673 2.658 1.00 0.00 C ATOM 1419 O TRP A 92 -8.384 0.287 2.790 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.269 -3.012 2.808 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.560 -3.967 3.720 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -8.057 -5.131 4.235 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.227 -3.839 4.227 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.113 -5.733 5.031 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.981 -4.961 5.041 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.217 -2.887 4.069 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.768 -5.154 5.696 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.013 -3.079 4.720 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.796 -4.206 5.524 1.00 0.00 C ATOM 0 H TRP A 92 -10.695 -3.148 3.441 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.442 -1.622 4.439 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.979 -3.566 2.194 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.544 -2.563 2.129 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.046 -5.520 4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.235 -6.612 5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.374 -2.017 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.600 -6.021 6.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.226 -2.348 4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.843 -4.329 6.018 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.112 -0.710 1.750 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.344 0.400 0.833 1.00 0.00 C ATOM 1442 C LEU A 93 -10.339 1.731 1.578 1.00 0.00 C ATOM 1443 O LEU A 93 -9.534 2.615 1.287 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.675 0.216 0.103 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.640 -0.664 -1.146 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -13.011 -0.717 -1.802 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.596 -0.154 -2.129 1.00 0.00 C ATOM 0 H LEU A 93 -10.749 -1.497 1.629 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.535 0.410 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.394 -0.210 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.050 1.199 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.365 -1.675 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.966 -1.348 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.735 -1.130 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.317 0.289 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.585 -0.793 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.841 0.867 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.613 -0.170 -1.657 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.243 1.867 2.543 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.325 3.092 3.317 1.00 0.00 C ATOM 1461 C GLY A 94 -10.102 3.312 4.186 1.00 0.00 C ATOM 1462 O GLY A 94 -9.684 4.449 4.406 1.00 0.00 O ATOM 0 H GLY A 94 -11.921 1.150 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.443 3.938 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.214 3.061 3.947 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.528 2.221 4.682 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.346 2.300 5.534 1.00 0.00 C ATOM 1468 C LEU A 95 -7.189 2.969 4.799 1.00 0.00 C ATOM 1469 O LEU A 95 -6.604 3.936 5.290 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.932 0.901 5.995 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.520 0.774 6.567 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.523 1.044 8.063 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.948 -0.606 6.274 1.00 0.00 C ATOM 0 H LEU A 95 -9.861 1.273 4.509 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.596 2.904 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.641 0.565 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.022 0.220 5.149 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.886 1.519 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.509 0.949 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.890 2.053 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.172 0.324 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.942 -0.679 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.583 -1.367 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.908 -0.762 5.196 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.864 2.449 3.621 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.778 2.998 2.816 1.00 0.00 C ATOM 1487 C LEU A 96 -6.116 4.403 2.329 1.00 0.00 C ATOM 1488 O LEU A 96 -5.283 5.309 2.386 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.492 2.087 1.621 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.941 0.699 1.951 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.235 -0.275 0.821 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.445 0.770 2.222 1.00 0.00 C ATOM 0 H LEU A 96 -7.337 1.648 3.202 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.888 3.056 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.415 1.964 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.781 2.592 0.967 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.436 0.337 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.835 -1.257 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.313 -0.348 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.768 0.081 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.070 -0.226 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.933 1.153 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.259 1.434 3.066 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.344 4.579 1.854 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.795 5.875 1.359 1.00 0.00 C ATOM 1506 C LEU A 97 -7.568 6.965 2.402 1.00 0.00 C ATOM 1507 O LEU A 97 -7.016 8.023 2.100 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.276 5.813 0.983 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.592 5.288 -0.418 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.976 4.658 -0.453 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.487 6.407 -1.443 1.00 0.00 C ATOM 0 H LEU A 97 -8.045 3.840 1.801 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.212 6.120 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.788 5.182 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.696 6.814 1.077 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.860 4.521 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.183 4.290 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.016 3.828 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.722 5.404 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.715 6.015 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.195 7.197 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.475 6.812 -1.437 1.00 0.00 H new ATOM 1523 N SER A 98 -7.996 6.698 3.632 1.00 0.00 N ATOM 1524 CA SER A 98 -7.842 7.656 4.720 1.00 0.00 C ATOM 1525 C SER A 98 -6.397 8.137 4.819 1.00 0.00 C ATOM 1526 O SER A 98 -6.140 9.319 5.046 1.00 0.00 O ATOM 1527 CB SER A 98 -8.275 7.028 6.046 1.00 0.00 C ATOM 1528 OG SER A 98 -8.148 7.952 7.113 1.00 0.00 O ATOM 0 H SER A 98 -8.452 5.826 3.900 1.00 0.00 H new ATOM 0 HA SER A 98 -8.479 8.515 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.309 6.692 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.668 6.146 6.250 1.00 0.00 H new ATOM 0 HG SER A 98 -8.432 7.527 7.949 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.459 7.211 4.648 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.040 7.540 4.720 1.00 0.00 C ATOM 1536 C GLU A 99 -3.593 8.294 3.471 1.00 0.00 C ATOM 1537 O GLU A 99 -3.003 9.371 3.560 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.207 6.268 4.886 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.616 5.424 6.082 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.012 5.922 7.381 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -3.287 7.080 7.759 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.264 5.153 8.020 1.00 0.00 O ATOM 0 H GLU A 99 -5.656 6.228 4.459 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.885 8.183 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.293 5.667 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.157 6.542 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.703 5.424 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.309 4.391 5.915 1.00 0.00 H new ATOM 1549 N SER A 100 -3.878 7.720 2.306 1.00 0.00 N ATOM 1550 CA SER A 100 -3.502 8.334 1.038 1.00 0.00 C ATOM 1551 C SER A 100 -4.393 9.533 0.730 1.00 0.00 C ATOM 1552 O SER A 100 -5.615 9.409 0.653 1.00 0.00 O ATOM 1553 CB SER A 100 -3.593 7.311 -0.096 1.00 0.00 C ATOM 1554 OG SER A 100 -4.942 7.072 -0.459 1.00 0.00 O ATOM 0 H SER A 100 -4.368 6.830 2.214 1.00 0.00 H new ATOM 0 HA SER A 100 -2.472 8.681 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.039 7.673 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.125 6.377 0.214 1.00 0.00 H new ATOM 0 HG SER A 100 -5.514 7.763 -0.065 1.00 0.00 H new ATOM 1560 N GLY A 101 -3.772 10.696 0.554 1.00 0.00 N ATOM 1561 CA GLY A 101 -4.523 11.901 0.257 1.00 0.00 C ATOM 1562 C GLY A 101 -5.578 11.678 -0.809 1.00 0.00 C ATOM 1563 O GLY A 101 -5.296 11.785 -2.003 1.00 0.00 O ATOM 0 H GLY A 101 -2.762 10.824 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.001 12.261 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.837 12.681 -0.073 1.00 0.00 H new ATOM 1567 N SER A 102 -6.796 11.367 -0.378 1.00 0.00 N ATOM 1568 CA SER A 102 -7.895 11.123 -1.305 1.00 0.00 C ATOM 1569 C SER A 102 -8.608 12.425 -1.657 1.00 0.00 C ATOM 1570 O SER A 102 -9.329 12.503 -2.651 1.00 0.00 O ATOM 1571 CB SER A 102 -8.890 10.131 -0.699 1.00 0.00 C ATOM 1572 OG SER A 102 -9.273 10.526 0.607 1.00 0.00 O ATOM 0 H SER A 102 -7.047 11.278 0.607 1.00 0.00 H new ATOM 0 HA SER A 102 -7.480 10.698 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.773 10.062 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.443 9.137 -0.665 1.00 0.00 H new ATOM 0 HG SER A 102 -9.910 9.877 0.971 1.00 0.00 H new ATOM 1578 N GLY A 103 -8.402 13.448 -0.832 1.00 0.00 N ATOM 1579 CA GLY A 103 -9.031 14.733 -1.071 1.00 0.00 C ATOM 1580 C GLY A 103 -8.487 15.822 -0.168 1.00 0.00 C ATOM 1581 O GLY A 103 -7.704 15.566 0.747 1.00 0.00 O ATOM 0 H GLY A 103 -7.810 13.409 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.881 15.020 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.106 14.642 -0.918 1.00 0.00 H new ATOM 1585 N PRO A 104 -8.904 17.071 -0.423 1.00 0.00 N ATOM 1586 CA PRO A 104 -8.465 18.229 0.362 1.00 0.00 C ATOM 1587 C PRO A 104 -9.039 18.221 1.775 1.00 0.00 C ATOM 1588 O PRO A 104 -10.155 18.685 2.004 1.00 0.00 O ATOM 1589 CB PRO A 104 -9.008 19.421 -0.429 1.00 0.00 C ATOM 1590 CG PRO A 104 -10.177 18.879 -1.177 1.00 0.00 C ATOM 1591 CD PRO A 104 -9.836 17.450 -1.498 1.00 0.00 C ATOM 0 HA PRO A 104 -7.383 18.246 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.305 20.234 0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.255 19.822 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -11.086 18.938 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -10.358 19.451 -2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.723 16.817 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.374 17.358 -2.481 1.00 0.00 H new ATOM 1599 N SER A 105 -8.267 17.692 2.719 1.00 0.00 N ATOM 1600 CA SER A 105 -8.700 17.621 4.110 1.00 0.00 C ATOM 1601 C SER A 105 -10.182 17.267 4.200 1.00 0.00 C ATOM 1602 O SER A 105 -10.925 17.857 4.984 1.00 0.00 O ATOM 1603 CB SER A 105 -8.438 18.953 4.816 1.00 0.00 C ATOM 1604 OG SER A 105 -8.766 18.873 6.193 1.00 0.00 O ATOM 0 H SER A 105 -7.339 17.306 2.546 1.00 0.00 H new ATOM 0 HA SER A 105 -8.126 16.837 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 105 -7.389 19.228 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.026 19.740 4.344 1.00 0.00 H new ATOM 0 HG SER A 105 -9.689 18.558 6.292 1.00 0.00 H new ATOM 1610 N SER A 106 -10.603 16.301 3.391 1.00 0.00 N ATOM 1611 CA SER A 106 -11.996 15.870 3.375 1.00 0.00 C ATOM 1612 C SER A 106 -12.237 14.771 4.406 1.00 0.00 C ATOM 1613 O SER A 106 -12.260 13.587 4.074 1.00 0.00 O ATOM 1614 CB SER A 106 -12.382 15.371 1.982 1.00 0.00 C ATOM 1615 OG SER A 106 -13.720 14.903 1.960 1.00 0.00 O ATOM 0 H SER A 106 -10.000 15.802 2.738 1.00 0.00 H new ATOM 0 HA SER A 106 -12.618 16.727 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 106 -12.263 16.177 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 106 -11.708 14.569 1.680 1.00 0.00 H new ATOM 0 HG SER A 106 -13.943 14.591 1.058 1.00 0.00 H new ATOM 1621 N GLY A 107 -12.416 15.174 5.661 1.00 0.00 N ATOM 1622 CA GLY A 107 -12.652 14.213 6.722 1.00 0.00 C ATOM 1623 C GLY A 107 -12.986 14.878 8.043 1.00 0.00 C ATOM 1624 O GLY A 107 -14.152 15.142 8.335 1.00 0.00 O ATOM 0 H GLY A 107 -12.402 16.149 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.470 13.552 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.767 13.589 6.846 1.00 0.00 H new TER 1628 GLY A 107