USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 Single : A 1 GLY N :NH3+ -97:sc= 0.0854 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.18! C(o=-1.2!,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -162:sc= -2 (180deg=-3.39) USER MOD Single : A 26 THR OG1 : rot -109:sc= 0.00976 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.509 K(o=-0.51,f=-1.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 130:sc= -0.542 USER MOD Single : A 68 ASN : amide:sc= -0.0485 X(o=-0.048,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -56:sc= 1.17 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.822 15.033 -3.675 1.00 0.00 N ATOM 2 CA GLY A 1 21.191 14.251 -4.725 1.00 0.00 C ATOM 3 C GLY A 1 20.302 15.131 -5.605 1.00 0.00 C ATOM 4 O GLY A 1 19.949 16.244 -5.220 1.00 0.00 O ATOM 0 H1 GLY A 1 22.783 15.299 -3.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.264 15.893 -3.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.871 14.468 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.956 13.773 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.594 13.454 -4.281 1.00 0.00 H new ATOM 8 N SER A 2 19.964 14.598 -6.770 1.00 0.00 N ATOM 9 CA SER A 2 19.123 15.321 -7.708 1.00 0.00 C ATOM 10 C SER A 2 18.890 14.476 -8.962 1.00 0.00 C ATOM 11 O SER A 2 19.843 14.025 -9.597 1.00 0.00 O ATOM 12 CB SER A 2 19.746 16.667 -8.084 1.00 0.00 C ATOM 13 OG SER A 2 18.944 17.385 -9.016 1.00 0.00 O ATOM 0 H SER A 2 20.258 13.674 -7.086 1.00 0.00 H new ATOM 0 HA SER A 2 18.165 15.517 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.882 17.267 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.736 16.502 -8.509 1.00 0.00 H new ATOM 0 HG SER A 2 19.375 18.239 -9.229 1.00 0.00 H new ATOM 19 N SER A 3 17.618 14.286 -9.281 1.00 0.00 N ATOM 20 CA SER A 3 17.249 13.502 -10.448 1.00 0.00 C ATOM 21 C SER A 3 16.169 14.233 -11.248 1.00 0.00 C ATOM 22 O SER A 3 15.533 15.156 -10.741 1.00 0.00 O ATOM 23 CB SER A 3 16.759 12.110 -10.044 1.00 0.00 C ATOM 24 OG SER A 3 15.713 12.172 -9.078 1.00 0.00 O ATOM 0 H SER A 3 16.830 14.661 -8.752 1.00 0.00 H new ATOM 0 HA SER A 3 18.134 13.379 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.405 11.579 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.592 11.535 -9.640 1.00 0.00 H new ATOM 0 HG SER A 3 15.426 11.264 -8.847 1.00 0.00 H new ATOM 30 N GLY A 4 15.995 13.793 -12.486 1.00 0.00 N ATOM 31 CA GLY A 4 15.003 14.394 -13.361 1.00 0.00 C ATOM 32 C GLY A 4 14.572 13.414 -14.455 1.00 0.00 C ATOM 33 O GLY A 4 15.333 12.523 -14.830 1.00 0.00 O ATOM 0 H GLY A 4 16.524 13.028 -12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.134 14.698 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.413 15.296 -13.816 1.00 0.00 H new ATOM 37 N SER A 5 13.353 13.613 -14.936 1.00 0.00 N ATOM 38 CA SER A 5 12.812 12.758 -15.979 1.00 0.00 C ATOM 39 C SER A 5 11.450 13.286 -16.433 1.00 0.00 C ATOM 40 O SER A 5 10.489 13.277 -15.666 1.00 0.00 O ATOM 41 CB SER A 5 12.687 11.312 -15.496 1.00 0.00 C ATOM 42 OG SER A 5 12.775 10.381 -16.571 1.00 0.00 O ATOM 0 H SER A 5 12.725 14.353 -14.623 1.00 0.00 H new ATOM 0 HA SER A 5 13.500 12.771 -16.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.473 11.103 -14.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.735 11.183 -14.981 1.00 0.00 H new ATOM 0 HG SER A 5 12.692 9.469 -16.222 1.00 0.00 H new ATOM 48 N SER A 6 11.410 13.734 -17.680 1.00 0.00 N ATOM 49 CA SER A 6 10.182 14.265 -18.246 1.00 0.00 C ATOM 50 C SER A 6 9.617 13.288 -19.279 1.00 0.00 C ATOM 51 O SER A 6 10.331 12.412 -19.766 1.00 0.00 O ATOM 52 CB SER A 6 10.416 15.636 -18.883 1.00 0.00 C ATOM 53 OG SER A 6 11.223 15.548 -20.055 1.00 0.00 O ATOM 0 H SER A 6 12.209 13.740 -18.314 1.00 0.00 H new ATOM 0 HA SER A 6 9.459 14.389 -17.439 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.457 16.087 -19.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.897 16.295 -18.160 1.00 0.00 H new ATOM 0 HG SER A 6 11.348 16.443 -20.434 1.00 0.00 H new ATOM 59 N GLY A 7 8.341 13.471 -19.584 1.00 0.00 N ATOM 60 CA GLY A 7 7.672 12.618 -20.551 1.00 0.00 C ATOM 61 C GLY A 7 6.224 12.349 -20.137 1.00 0.00 C ATOM 62 O GLY A 7 5.963 11.477 -19.310 1.00 0.00 O ATOM 0 H GLY A 7 7.752 14.198 -19.178 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.691 13.091 -21.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.209 11.674 -20.641 1.00 0.00 H new ATOM 66 N THR A 8 5.321 13.115 -20.731 1.00 0.00 N ATOM 67 CA THR A 8 3.906 12.971 -20.434 1.00 0.00 C ATOM 68 C THR A 8 3.100 12.837 -21.728 1.00 0.00 C ATOM 69 O THR A 8 2.901 13.818 -22.444 1.00 0.00 O ATOM 70 CB THR A 8 3.480 14.162 -19.574 1.00 0.00 C ATOM 71 OG1 THR A 8 4.044 13.886 -18.295 1.00 0.00 O ATOM 72 CG2 THR A 8 1.971 14.190 -19.318 1.00 0.00 C ATOM 0 H THR A 8 5.542 13.837 -21.417 1.00 0.00 H new ATOM 0 HA THR A 8 3.711 12.058 -19.871 1.00 0.00 H new ATOM 0 HB THR A 8 3.782 15.089 -20.062 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.818 14.610 -17.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.722 15.055 -18.703 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.442 14.256 -20.269 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.673 13.279 -18.800 1.00 0.00 H new ATOM 80 N SER A 9 2.659 11.616 -21.989 1.00 0.00 N ATOM 81 CA SER A 9 1.880 11.341 -23.184 1.00 0.00 C ATOM 82 C SER A 9 1.060 10.063 -22.992 1.00 0.00 C ATOM 83 O SER A 9 1.591 8.959 -23.093 1.00 0.00 O ATOM 84 CB SER A 9 2.782 11.212 -24.413 1.00 0.00 C ATOM 85 OG SER A 9 2.568 12.268 -25.345 1.00 0.00 O ATOM 0 H SER A 9 2.826 10.805 -21.393 1.00 0.00 H new ATOM 0 HA SER A 9 1.203 12.179 -23.350 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.826 11.212 -24.098 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.596 10.255 -24.900 1.00 0.00 H new ATOM 0 HG SER A 9 3.164 12.151 -26.114 1.00 0.00 H new ATOM 91 N SER A 10 -0.222 10.257 -22.718 1.00 0.00 N ATOM 92 CA SER A 10 -1.121 9.134 -22.511 1.00 0.00 C ATOM 93 C SER A 10 -2.551 9.639 -22.308 1.00 0.00 C ATOM 94 O SER A 10 -2.969 9.893 -21.179 1.00 0.00 O ATOM 95 CB SER A 10 -0.681 8.290 -21.313 1.00 0.00 C ATOM 96 OG SER A 10 -0.738 6.894 -21.594 1.00 0.00 O ATOM 0 H SER A 10 -0.659 11.175 -22.635 1.00 0.00 H new ATOM 0 HA SER A 10 -1.088 8.502 -23.398 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.336 8.562 -21.032 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.319 8.514 -20.458 1.00 0.00 H new ATOM 0 HG SER A 10 -0.448 6.389 -20.805 1.00 0.00 H new ATOM 102 N ASN A 11 -3.262 9.769 -23.418 1.00 0.00 N ATOM 103 CA ASN A 11 -4.636 10.238 -23.376 1.00 0.00 C ATOM 104 C ASN A 11 -5.208 10.258 -24.795 1.00 0.00 C ATOM 105 O ASN A 11 -4.940 11.180 -25.563 1.00 0.00 O ATOM 106 CB ASN A 11 -4.716 11.660 -22.815 1.00 0.00 C ATOM 107 CG ASN A 11 -3.906 12.634 -23.673 1.00 0.00 C ATOM 108 OD1 ASN A 11 -2.691 12.559 -23.764 1.00 0.00 O ATOM 109 ND2 ASN A 11 -4.643 13.549 -24.295 1.00 0.00 N ATOM 0 H ASN A 11 -2.912 9.558 -24.352 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.202 9.564 -22.734 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.757 11.982 -22.777 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.341 11.673 -21.792 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.196 14.245 -24.892 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.656 13.555 -24.175 1.00 0.00 H new ATOM 116 N PRO A 12 -6.006 9.201 -25.107 1.00 0.00 N ATOM 117 CA PRO A 12 -6.618 9.089 -26.421 1.00 0.00 C ATOM 118 C PRO A 12 -7.790 10.061 -26.565 1.00 0.00 C ATOM 119 O PRO A 12 -7.956 10.689 -27.609 1.00 0.00 O ATOM 120 CB PRO A 12 -7.036 7.632 -26.535 1.00 0.00 C ATOM 121 CG PRO A 12 -7.067 7.094 -25.114 1.00 0.00 C ATOM 122 CD PRO A 12 -6.345 8.091 -24.223 1.00 0.00 C ATOM 0 HA PRO A 12 -5.937 9.359 -27.228 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.014 7.542 -27.008 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.332 7.071 -27.150 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.095 6.958 -24.780 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.584 6.118 -25.065 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.980 8.420 -23.401 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.452 7.651 -23.779 1.00 0.00 H new ATOM 130 N VAL A 13 -8.573 10.155 -25.500 1.00 0.00 N ATOM 131 CA VAL A 13 -9.725 11.040 -25.495 1.00 0.00 C ATOM 132 C VAL A 13 -10.424 10.970 -26.854 1.00 0.00 C ATOM 133 O VAL A 13 -10.576 11.985 -27.532 1.00 0.00 O ATOM 134 CB VAL A 13 -9.294 12.459 -25.118 1.00 0.00 C ATOM 135 CG1 VAL A 13 -8.235 12.986 -26.089 1.00 0.00 C ATOM 136 CG2 VAL A 13 -10.498 13.401 -25.056 1.00 0.00 C ATOM 0 H VAL A 13 -8.432 9.633 -24.635 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.446 10.722 -24.742 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.848 12.420 -24.124 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.946 13.996 -25.799 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.360 12.336 -26.061 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.643 13.002 -27.099 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.163 14.402 -24.786 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.986 13.432 -26.030 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.204 13.041 -24.308 1.00 0.00 H new ATOM 146 N LEU A 14 -10.830 9.761 -27.213 1.00 0.00 N ATOM 147 CA LEU A 14 -11.509 9.544 -28.479 1.00 0.00 C ATOM 148 C LEU A 14 -12.472 8.363 -28.341 1.00 0.00 C ATOM 149 O LEU A 14 -12.048 7.240 -28.074 1.00 0.00 O ATOM 150 CB LEU A 14 -10.492 9.380 -29.611 1.00 0.00 C ATOM 151 CG LEU A 14 -9.651 8.102 -29.576 1.00 0.00 C ATOM 152 CD1 LEU A 14 -10.176 7.073 -30.580 1.00 0.00 C ATOM 153 CD2 LEU A 14 -8.170 8.415 -29.797 1.00 0.00 C ATOM 0 H LEU A 14 -10.702 8.921 -26.649 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.109 10.415 -28.744 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.026 9.414 -30.561 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.817 10.236 -29.594 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.742 7.659 -28.584 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.561 6.174 -30.535 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.207 6.819 -30.335 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.134 7.492 -31.586 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.594 7.490 -29.767 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.040 8.892 -30.768 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.819 9.086 -29.013 1.00 0.00 H new ATOM 165 N GLU A 15 -13.750 8.658 -28.530 1.00 0.00 N ATOM 166 CA GLU A 15 -14.777 7.635 -28.430 1.00 0.00 C ATOM 167 C GLU A 15 -14.749 6.989 -27.043 1.00 0.00 C ATOM 168 O GLU A 15 -13.833 7.232 -26.259 1.00 0.00 O ATOM 169 CB GLU A 15 -14.611 6.583 -29.528 1.00 0.00 C ATOM 170 CG GLU A 15 -15.248 7.053 -30.838 1.00 0.00 C ATOM 171 CD GLU A 15 -15.005 6.041 -31.960 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.843 5.598 -32.082 1.00 0.00 O ATOM 173 OE2 GLU A 15 -15.987 5.734 -32.669 1.00 0.00 O ATOM 0 H GLU A 15 -14.098 9.591 -28.752 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.749 8.108 -28.570 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.552 6.381 -29.686 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.070 5.646 -29.212 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.320 7.193 -30.696 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.835 8.021 -31.121 1.00 0.00 H new ATOM 180 N LEU A 16 -15.764 6.178 -26.783 1.00 0.00 N ATOM 181 CA LEU A 16 -15.867 5.495 -25.505 1.00 0.00 C ATOM 182 C LEU A 16 -16.406 4.080 -25.729 1.00 0.00 C ATOM 183 O LEU A 16 -17.605 3.894 -25.929 1.00 0.00 O ATOM 184 CB LEU A 16 -16.699 6.321 -24.521 1.00 0.00 C ATOM 185 CG LEU A 16 -16.079 7.643 -24.065 1.00 0.00 C ATOM 186 CD1 LEU A 16 -17.150 8.592 -23.523 1.00 0.00 C ATOM 187 CD2 LEU A 16 -14.960 7.402 -23.049 1.00 0.00 C ATOM 0 H LEU A 16 -16.522 5.979 -27.436 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.883 5.393 -25.048 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.664 6.534 -24.981 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -16.894 5.711 -23.639 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.629 8.126 -24.932 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.683 9.524 -23.206 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.881 8.800 -24.304 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.650 8.129 -22.672 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.536 8.358 -22.741 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.364 6.887 -22.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.181 6.789 -23.504 1.00 0.00 H new ATOM 199 N GLU A 17 -15.494 3.121 -25.689 1.00 0.00 N ATOM 200 CA GLU A 17 -15.863 1.729 -25.885 1.00 0.00 C ATOM 201 C GLU A 17 -14.720 0.810 -25.448 1.00 0.00 C ATOM 202 O GLU A 17 -13.808 0.534 -26.226 1.00 0.00 O ATOM 203 CB GLU A 17 -16.252 1.465 -27.341 1.00 0.00 C ATOM 204 CG GLU A 17 -17.715 1.029 -27.447 1.00 0.00 C ATOM 205 CD GLU A 17 -17.914 -0.370 -26.861 1.00 0.00 C ATOM 206 OE1 GLU A 17 -17.669 -1.340 -27.611 1.00 0.00 O ATOM 207 OE2 GLU A 17 -18.306 -0.439 -25.676 1.00 0.00 O ATOM 0 H GLU A 17 -14.500 3.280 -25.524 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.734 1.514 -25.266 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.094 2.367 -27.933 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.607 0.692 -27.759 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.350 1.742 -26.920 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.026 1.037 -28.492 1.00 0.00 H new ATOM 214 N LEU A 18 -14.806 0.362 -24.204 1.00 0.00 N ATOM 215 CA LEU A 18 -13.791 -0.520 -23.654 1.00 0.00 C ATOM 216 C LEU A 18 -14.180 -0.911 -22.227 1.00 0.00 C ATOM 217 O LEU A 18 -14.969 -0.221 -21.583 1.00 0.00 O ATOM 218 CB LEU A 18 -12.407 0.125 -23.759 1.00 0.00 C ATOM 219 CG LEU A 18 -11.339 -0.693 -24.487 1.00 0.00 C ATOM 220 CD1 LEU A 18 -10.475 0.202 -25.378 1.00 0.00 C ATOM 221 CD2 LEU A 18 -10.497 -1.500 -23.497 1.00 0.00 C ATOM 0 H LEU A 18 -15.563 0.594 -23.561 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.733 -1.442 -24.233 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.512 1.083 -24.268 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.050 0.337 -22.751 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.842 -1.407 -25.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.724 -0.405 -25.884 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.105 0.693 -26.120 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.980 0.956 -24.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.745 -2.072 -24.041 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.003 -0.821 -22.801 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.142 -2.182 -22.943 1.00 0.00 H new ATOM 233 N ALA A 19 -13.609 -2.018 -21.774 1.00 0.00 N ATOM 234 CA ALA A 19 -13.886 -2.509 -20.435 1.00 0.00 C ATOM 235 C ALA A 19 -12.618 -3.139 -19.855 1.00 0.00 C ATOM 236 O ALA A 19 -11.523 -2.926 -20.372 1.00 0.00 O ATOM 237 CB ALA A 19 -15.056 -3.494 -20.485 1.00 0.00 C ATOM 0 H ALA A 19 -12.956 -2.589 -22.311 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.177 -1.689 -19.778 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.264 -3.863 -19.481 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.939 -2.990 -20.877 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.799 -4.332 -21.133 1.00 0.00 H new ATOM 243 N GLU A 20 -12.809 -3.901 -18.788 1.00 0.00 N ATOM 244 CA GLU A 20 -11.695 -4.563 -18.132 1.00 0.00 C ATOM 245 C GLU A 20 -10.840 -3.542 -17.378 1.00 0.00 C ATOM 246 O GLU A 20 -9.637 -3.440 -17.613 1.00 0.00 O ATOM 247 CB GLU A 20 -10.851 -5.346 -19.140 1.00 0.00 C ATOM 248 CG GLU A 20 -10.346 -6.655 -18.532 1.00 0.00 C ATOM 249 CD GLU A 20 -11.121 -7.853 -19.087 1.00 0.00 C ATOM 250 OE1 GLU A 20 -12.358 -7.860 -18.907 1.00 0.00 O ATOM 251 OE2 GLU A 20 -10.459 -8.733 -19.678 1.00 0.00 O ATOM 0 H GLU A 20 -13.719 -4.075 -18.362 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.095 -5.276 -17.411 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.445 -5.559 -20.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.004 -4.739 -19.460 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.284 -6.774 -18.746 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.451 -6.621 -17.448 1.00 0.00 H new ATOM 258 N GLU A 21 -11.496 -2.811 -16.488 1.00 0.00 N ATOM 259 CA GLU A 21 -10.811 -1.802 -15.698 1.00 0.00 C ATOM 260 C GLU A 21 -9.426 -2.301 -15.284 1.00 0.00 C ATOM 261 O GLU A 21 -8.481 -1.518 -15.194 1.00 0.00 O ATOM 262 CB GLU A 21 -11.641 -1.408 -14.474 1.00 0.00 C ATOM 263 CG GLU A 21 -12.322 -0.055 -14.686 1.00 0.00 C ATOM 264 CD GLU A 21 -12.284 0.785 -13.407 1.00 0.00 C ATOM 265 OE1 GLU A 21 -11.210 1.367 -13.142 1.00 0.00 O ATOM 266 OE2 GLU A 21 -13.330 0.825 -12.723 1.00 0.00 O ATOM 0 H GLU A 21 -12.494 -2.898 -16.297 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.685 -0.911 -16.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.394 -2.172 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.999 -1.362 -13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.826 0.483 -15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.356 -0.209 -14.994 1.00 0.00 H new ATOM 273 N LYS A 22 -9.348 -3.602 -15.043 1.00 0.00 N ATOM 274 CA LYS A 22 -8.094 -4.215 -14.640 1.00 0.00 C ATOM 275 C LYS A 22 -6.991 -3.795 -15.614 1.00 0.00 C ATOM 276 O LYS A 22 -7.254 -3.561 -16.793 1.00 0.00 O ATOM 277 CB LYS A 22 -8.255 -5.730 -14.511 1.00 0.00 C ATOM 278 CG LYS A 22 -7.864 -6.206 -13.110 1.00 0.00 C ATOM 279 CD LYS A 22 -8.729 -7.388 -12.670 1.00 0.00 C ATOM 280 CE LYS A 22 -9.317 -7.149 -11.278 1.00 0.00 C ATOM 281 NZ LYS A 22 -8.253 -7.195 -10.251 1.00 0.00 N ATOM 0 H LYS A 22 -10.133 -4.248 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.799 -3.864 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.288 -6.008 -14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.635 -6.230 -15.255 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.814 -6.497 -13.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.974 -5.386 -12.400 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.535 -7.540 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.131 -8.299 -12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.817 -6.181 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.073 -7.904 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.669 -7.031 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.794 -8.128 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.546 -6.458 -10.450 1.00 0.00 H new ATOM 295 N LEU A 23 -5.778 -3.713 -15.086 1.00 0.00 N ATOM 296 CA LEU A 23 -4.634 -3.326 -15.893 1.00 0.00 C ATOM 297 C LEU A 23 -3.379 -4.014 -15.354 1.00 0.00 C ATOM 298 O LEU A 23 -3.377 -4.520 -14.233 1.00 0.00 O ATOM 299 CB LEU A 23 -4.519 -1.802 -15.963 1.00 0.00 C ATOM 300 CG LEU A 23 -5.216 -1.131 -17.148 1.00 0.00 C ATOM 301 CD1 LEU A 23 -5.840 0.203 -16.733 1.00 0.00 C ATOM 302 CD2 LEU A 23 -4.258 -0.972 -18.330 1.00 0.00 C ATOM 0 H LEU A 23 -5.563 -3.908 -14.108 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.763 -3.660 -16.922 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.927 -1.384 -15.043 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.462 -1.538 -15.992 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.029 -1.779 -17.477 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.329 0.659 -17.594 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.575 0.032 -15.947 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.061 0.870 -16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.779 -0.492 -19.159 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.409 -0.357 -18.030 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.902 -1.953 -18.644 1.00 0.00 H new ATOM 314 N PRO A 24 -2.313 -4.010 -16.199 1.00 0.00 N ATOM 315 CA PRO A 24 -1.054 -4.627 -15.818 1.00 0.00 C ATOM 316 C PRO A 24 -0.300 -3.758 -14.809 1.00 0.00 C ATOM 317 O PRO A 24 -0.815 -2.736 -14.359 1.00 0.00 O ATOM 318 CB PRO A 24 -0.297 -4.813 -17.123 1.00 0.00 C ATOM 319 CG PRO A 24 -0.955 -3.877 -18.124 1.00 0.00 C ATOM 320 CD PRO A 24 -2.279 -3.420 -17.534 1.00 0.00 C ATOM 0 HA PRO A 24 -1.190 -5.582 -15.311 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.759 -4.573 -17.000 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.351 -5.848 -17.462 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.311 -3.021 -18.326 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.116 -4.386 -19.074 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.338 -2.333 -17.488 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.120 -3.759 -18.139 1.00 0.00 H new ATOM 328 N MET A 25 0.906 -4.198 -14.482 1.00 0.00 N ATOM 329 CA MET A 25 1.735 -3.473 -13.534 1.00 0.00 C ATOM 330 C MET A 25 2.169 -2.122 -14.106 1.00 0.00 C ATOM 331 O MET A 25 3.057 -2.059 -14.955 1.00 0.00 O ATOM 332 CB MET A 25 2.973 -4.307 -13.198 1.00 0.00 C ATOM 333 CG MET A 25 2.832 -4.970 -11.826 1.00 0.00 C ATOM 334 SD MET A 25 4.326 -5.859 -11.421 1.00 0.00 S ATOM 335 CE MET A 25 4.555 -5.326 -9.733 1.00 0.00 C ATOM 0 H MET A 25 1.329 -5.047 -14.856 1.00 0.00 H new ATOM 0 HA MET A 25 1.151 -3.293 -12.632 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.119 -5.071 -13.962 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.858 -3.671 -13.209 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.632 -4.214 -11.067 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.982 -5.653 -11.828 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.584 -5.517 -9.428 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.346 -4.259 -9.657 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.875 -5.876 -9.082 1.00 0.00 H new ATOM 345 N THR A 26 1.522 -1.074 -13.617 1.00 0.00 N ATOM 346 CA THR A 26 1.830 0.272 -14.069 1.00 0.00 C ATOM 347 C THR A 26 3.106 0.782 -13.396 1.00 0.00 C ATOM 348 O THR A 26 4.040 1.210 -14.072 1.00 0.00 O ATOM 349 CB THR A 26 0.608 1.152 -13.800 1.00 0.00 C ATOM 350 OG1 THR A 26 0.289 0.895 -12.435 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.631 0.685 -14.566 1.00 0.00 C ATOM 0 H THR A 26 0.786 -1.130 -12.913 1.00 0.00 H new ATOM 0 HA THR A 26 2.034 0.293 -15.139 1.00 0.00 H new ATOM 0 HB THR A 26 0.836 2.182 -14.073 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.541 0.376 -12.385 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.469 1.344 -14.339 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.428 0.711 -15.637 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.880 -0.334 -14.269 1.00 0.00 H new ATOM 359 N LEU A 27 3.104 0.720 -12.072 1.00 0.00 N ATOM 360 CA LEU A 27 4.250 1.170 -11.300 1.00 0.00 C ATOM 361 C LEU A 27 5.142 -0.029 -10.974 1.00 0.00 C ATOM 362 O LEU A 27 4.651 -1.076 -10.552 1.00 0.00 O ATOM 363 CB LEU A 27 3.791 1.950 -10.066 1.00 0.00 C ATOM 364 CG LEU A 27 2.575 2.857 -10.260 1.00 0.00 C ATOM 365 CD1 LEU A 27 1.901 3.164 -8.921 1.00 0.00 C ATOM 366 CD2 LEU A 27 2.957 4.132 -11.015 1.00 0.00 C ATOM 0 H LEU A 27 2.327 0.365 -11.515 1.00 0.00 H new ATOM 0 HA LEU A 27 4.853 1.867 -11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.565 1.237 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.623 2.561 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 27 1.847 2.326 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.039 3.811 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.573 2.234 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.610 3.667 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.074 4.759 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.713 4.677 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.356 3.869 -11.994 1.00 0.00 H new ATOM 378 N SER A 28 6.436 0.163 -11.181 1.00 0.00 N ATOM 379 CA SER A 28 7.401 -0.890 -10.913 1.00 0.00 C ATOM 380 C SER A 28 7.675 -0.980 -9.411 1.00 0.00 C ATOM 381 O SER A 28 7.345 -0.063 -8.660 1.00 0.00 O ATOM 382 CB SER A 28 8.705 -0.649 -11.677 1.00 0.00 C ATOM 383 OG SER A 28 8.511 -0.682 -13.088 1.00 0.00 O ATOM 0 H SER A 28 6.839 1.032 -11.531 1.00 0.00 H new ATOM 0 HA SER A 28 6.980 -1.835 -11.256 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.120 0.318 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.436 -1.406 -11.394 1.00 0.00 H new ATOM 0 HG SER A 28 9.366 -0.522 -13.540 1.00 0.00 H new ATOM 389 N ARG A 29 8.275 -2.093 -9.016 1.00 0.00 N ATOM 390 CA ARG A 29 8.597 -2.315 -7.617 1.00 0.00 C ATOM 391 C ARG A 29 9.078 -1.014 -6.971 1.00 0.00 C ATOM 392 O ARG A 29 8.483 -0.540 -6.004 1.00 0.00 O ATOM 393 CB ARG A 29 9.682 -3.383 -7.463 1.00 0.00 C ATOM 394 CG ARG A 29 10.767 -3.219 -8.529 1.00 0.00 C ATOM 395 CD ARG A 29 11.092 -4.559 -9.191 1.00 0.00 C ATOM 396 NE ARG A 29 11.283 -4.372 -10.647 1.00 0.00 N ATOM 397 CZ ARG A 29 11.588 -5.360 -11.498 1.00 0.00 C ATOM 398 NH1 ARG A 29 11.739 -6.612 -11.045 1.00 0.00 N ATOM 399 NH2 ARG A 29 11.742 -5.097 -12.803 1.00 0.00 N ATOM 0 H ARG A 29 8.547 -2.852 -9.641 1.00 0.00 H new ATOM 0 HA ARG A 29 7.691 -2.660 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.128 -3.313 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.236 -4.374 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.435 -2.507 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.668 -2.805 -8.076 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.994 -4.983 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.285 -5.269 -9.010 1.00 0.00 H new ATOM 0 HE ARG A 29 11.176 -3.431 -11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.622 -6.813 -10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.971 -7.364 -11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.627 -4.144 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.974 -5.850 -13.451 1.00 0.00 H new ATOM 413 N GLN A 30 10.149 -0.472 -7.531 1.00 0.00 N ATOM 414 CA GLN A 30 10.716 0.764 -7.021 1.00 0.00 C ATOM 415 C GLN A 30 9.637 1.845 -6.929 1.00 0.00 C ATOM 416 O GLN A 30 9.416 2.417 -5.863 1.00 0.00 O ATOM 417 CB GLN A 30 11.886 1.231 -7.891 1.00 0.00 C ATOM 418 CG GLN A 30 13.118 1.534 -7.036 1.00 0.00 C ATOM 419 CD GLN A 30 14.049 0.321 -6.967 1.00 0.00 C ATOM 420 OE1 GLN A 30 13.990 -0.586 -7.780 1.00 0.00 O ATOM 421 NE2 GLN A 30 14.908 0.356 -5.952 1.00 0.00 N ATOM 0 H GLN A 30 10.639 -0.867 -8.334 1.00 0.00 H new ATOM 0 HA GLN A 30 11.102 0.577 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.128 0.462 -8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.597 2.123 -8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.655 2.386 -7.454 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.807 1.816 -6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.904 1.146 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.571 -0.408 -5.818 1.00 0.00 H new ATOM 430 N GLU A 31 8.993 2.092 -8.061 1.00 0.00 N ATOM 431 CA GLU A 31 7.942 3.093 -8.121 1.00 0.00 C ATOM 432 C GLU A 31 6.928 2.866 -6.997 1.00 0.00 C ATOM 433 O GLU A 31 6.228 3.793 -6.592 1.00 0.00 O ATOM 434 CB GLU A 31 7.256 3.087 -9.488 1.00 0.00 C ATOM 435 CG GLU A 31 6.434 4.360 -9.695 1.00 0.00 C ATOM 436 CD GLU A 31 7.337 5.595 -9.738 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.201 5.636 -10.641 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.144 6.470 -8.866 1.00 0.00 O ATOM 0 H GLU A 31 9.179 1.616 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 31 8.394 4.075 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.006 3.002 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.608 2.214 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.869 4.285 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.708 4.464 -8.888 1.00 0.00 H new ATOM 445 N VAL A 32 6.882 1.629 -6.527 1.00 0.00 N ATOM 446 CA VAL A 32 5.965 1.269 -5.458 1.00 0.00 C ATOM 447 C VAL A 32 6.690 1.367 -4.115 1.00 0.00 C ATOM 448 O VAL A 32 6.085 1.716 -3.102 1.00 0.00 O ATOM 449 CB VAL A 32 5.376 -0.119 -5.719 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.711 -0.678 -4.460 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.393 -0.086 -6.891 1.00 0.00 C ATOM 0 H VAL A 32 7.464 0.863 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 32 5.125 1.963 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 32 6.195 -0.786 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.301 -1.665 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.450 -0.756 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.908 -0.011 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.989 -1.085 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.579 0.602 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.910 0.249 -7.790 1.00 0.00 H new ATOM 461 N ILE A 33 7.977 1.054 -4.149 1.00 0.00 N ATOM 462 CA ILE A 33 8.792 1.103 -2.947 1.00 0.00 C ATOM 463 C ILE A 33 8.970 2.560 -2.515 1.00 0.00 C ATOM 464 O ILE A 33 8.970 2.863 -1.323 1.00 0.00 O ATOM 465 CB ILE A 33 10.111 0.360 -3.163 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.881 -1.149 -3.266 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.124 0.712 -2.071 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.159 -1.871 -3.696 1.00 0.00 C ATOM 0 H ILE A 33 8.476 0.765 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 33 8.293 0.586 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 33 10.534 0.686 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.547 -1.536 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.086 -1.351 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.053 0.170 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.320 1.784 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.721 0.433 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.967 -2.942 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.477 -1.499 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.945 -1.687 -2.963 1.00 0.00 H new ATOM 480 N ARG A 34 9.117 3.424 -3.509 1.00 0.00 N ATOM 481 CA ARG A 34 9.296 4.842 -3.248 1.00 0.00 C ATOM 482 C ARG A 34 8.167 5.364 -2.356 1.00 0.00 C ATOM 483 O ARG A 34 8.394 5.699 -1.194 1.00 0.00 O ATOM 484 CB ARG A 34 9.319 5.644 -4.551 1.00 0.00 C ATOM 485 CG ARG A 34 10.224 6.871 -4.424 1.00 0.00 C ATOM 486 CD ARG A 34 10.052 7.806 -5.623 1.00 0.00 C ATOM 487 NE ARG A 34 10.120 9.216 -5.178 1.00 0.00 N ATOM 488 CZ ARG A 34 9.136 9.845 -4.523 1.00 0.00 C ATOM 489 NH1 ARG A 34 8.001 9.194 -4.232 1.00 0.00 N ATOM 490 NH2 ARG A 34 9.285 11.126 -4.159 1.00 0.00 N ATOM 0 H ARG A 34 9.116 3.169 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 34 10.253 4.967 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.671 5.011 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.307 5.959 -4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.989 7.407 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.264 6.554 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.830 7.611 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.095 7.615 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 34 10.970 9.742 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.887 8.219 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.252 9.673 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.148 11.622 -4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.535 11.605 -3.660 1.00 0.00 H new ATOM 504 N ARG A 35 6.976 5.416 -2.933 1.00 0.00 N ATOM 505 CA ARG A 35 5.812 5.891 -2.205 1.00 0.00 C ATOM 506 C ARG A 35 5.673 5.142 -0.878 1.00 0.00 C ATOM 507 O ARG A 35 5.726 5.749 0.190 1.00 0.00 O ATOM 508 CB ARG A 35 4.534 5.702 -3.025 1.00 0.00 C ATOM 509 CG ARG A 35 4.475 6.698 -4.185 1.00 0.00 C ATOM 510 CD ARG A 35 4.144 5.989 -5.500 1.00 0.00 C ATOM 511 NE ARG A 35 3.629 6.965 -6.486 1.00 0.00 N ATOM 512 CZ ARG A 35 4.408 7.754 -7.239 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.741 7.687 -7.123 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.853 8.610 -8.107 1.00 0.00 N ATOM 0 H ARG A 35 6.792 5.137 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 35 5.953 6.955 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.493 4.684 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.663 5.834 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.722 7.458 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.431 7.213 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.035 5.499 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.402 5.210 -5.326 1.00 0.00 H new ATOM 0 HE ARG A 35 2.618 7.042 -6.600 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.163 7.035 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.334 8.288 -7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.838 8.661 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.445 9.211 -8.680 1.00 0.00 H new ATOM 528 N LEU A 36 5.499 3.833 -0.989 1.00 0.00 N ATOM 529 CA LEU A 36 5.353 2.995 0.188 1.00 0.00 C ATOM 530 C LEU A 36 6.314 3.478 1.276 1.00 0.00 C ATOM 531 O LEU A 36 5.893 3.790 2.388 1.00 0.00 O ATOM 532 CB LEU A 36 5.530 1.520 -0.179 1.00 0.00 C ATOM 533 CG LEU A 36 4.358 0.865 -0.913 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.600 -0.633 -1.106 1.00 0.00 C ATOM 535 CD2 LEU A 36 3.037 1.145 -0.194 1.00 0.00 C ATOM 0 H LEU A 36 5.456 3.333 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 36 4.345 3.080 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.420 1.425 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.719 0.959 0.736 1.00 0.00 H new ATOM 0 HG LEU A 36 4.285 1.309 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.752 -1.074 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.507 -0.783 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.714 -1.111 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.220 0.669 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.082 0.745 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.866 2.221 -0.152 1.00 0.00 H new ATOM 547 N ARG A 37 7.589 3.524 0.916 1.00 0.00 N ATOM 548 CA ARG A 37 8.614 3.964 1.847 1.00 0.00 C ATOM 549 C ARG A 37 8.201 5.282 2.507 1.00 0.00 C ATOM 550 O ARG A 37 8.075 5.356 3.728 1.00 0.00 O ATOM 551 CB ARG A 37 9.956 4.154 1.139 1.00 0.00 C ATOM 552 CG ARG A 37 10.846 2.921 1.309 1.00 0.00 C ATOM 553 CD ARG A 37 12.301 3.324 1.555 1.00 0.00 C ATOM 554 NE ARG A 37 12.564 3.407 3.009 1.00 0.00 N ATOM 555 CZ ARG A 37 12.834 2.349 3.786 1.00 0.00 C ATOM 556 NH1 ARG A 37 12.877 1.120 3.252 1.00 0.00 N ATOM 557 NH2 ARG A 37 13.059 2.519 5.096 1.00 0.00 N ATOM 0 H ARG A 37 7.935 3.264 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 37 8.725 3.192 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.788 4.342 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.463 5.031 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.485 2.320 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.784 2.297 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.971 2.596 1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.505 4.286 1.085 1.00 0.00 H new ATOM 0 HE ARG A 37 12.538 4.328 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.704 0.991 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.082 0.314 3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.025 3.454 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.264 1.713 5.687 1.00 0.00 H new ATOM 571 N GLU A 38 8.003 6.289 1.669 1.00 0.00 N ATOM 572 CA GLU A 38 7.608 7.600 2.156 1.00 0.00 C ATOM 573 C GLU A 38 6.342 7.490 3.009 1.00 0.00 C ATOM 574 O GLU A 38 6.148 8.268 3.941 1.00 0.00 O ATOM 575 CB GLU A 38 7.404 8.577 0.996 1.00 0.00 C ATOM 576 CG GLU A 38 8.730 8.879 0.295 1.00 0.00 C ATOM 577 CD GLU A 38 9.026 10.380 0.306 1.00 0.00 C ATOM 578 OE1 GLU A 38 8.062 11.150 0.105 1.00 0.00 O ATOM 579 OE2 GLU A 38 10.210 10.723 0.514 1.00 0.00 O ATOM 0 H GLU A 38 8.109 6.224 0.657 1.00 0.00 H new ATOM 0 HA GLU A 38 8.411 7.991 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.698 8.156 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.966 9.503 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.538 8.342 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.692 8.520 -0.733 1.00 0.00 H new ATOM 586 N ARG A 39 5.513 6.517 2.658 1.00 0.00 N ATOM 587 CA ARG A 39 4.272 6.295 3.380 1.00 0.00 C ATOM 588 C ARG A 39 4.557 5.670 4.747 1.00 0.00 C ATOM 589 O ARG A 39 3.815 5.894 5.703 1.00 0.00 O ATOM 590 CB ARG A 39 3.334 5.378 2.593 1.00 0.00 C ATOM 591 CG ARG A 39 3.090 5.922 1.184 1.00 0.00 C ATOM 592 CD ARG A 39 1.713 6.581 1.082 1.00 0.00 C ATOM 593 NE ARG A 39 1.864 8.032 0.829 1.00 0.00 N ATOM 594 CZ ARG A 39 0.910 8.940 1.074 1.00 0.00 C ATOM 595 NH1 ARG A 39 -0.270 8.554 1.579 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.135 10.235 0.814 1.00 0.00 N ATOM 0 H ARG A 39 5.677 5.874 1.883 1.00 0.00 H new ATOM 0 HA ARG A 39 3.788 7.263 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.764 4.378 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.384 5.284 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.864 6.647 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.164 5.111 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.139 6.121 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.155 6.420 2.004 1.00 0.00 H new ATOM 0 HE ARG A 39 2.750 8.361 0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.442 7.568 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.996 9.246 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.033 10.529 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.409 10.926 1.001 1.00 0.00 H new ATOM 610 N GLY A 40 5.634 4.900 4.797 1.00 0.00 N ATOM 611 CA GLY A 40 6.026 4.241 6.031 1.00 0.00 C ATOM 612 C GLY A 40 5.645 2.759 6.007 1.00 0.00 C ATOM 613 O GLY A 40 5.937 2.024 6.949 1.00 0.00 O ATOM 0 H GLY A 40 6.247 4.718 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.102 4.341 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.544 4.730 6.878 1.00 0.00 H new ATOM 617 N GLU A 41 4.999 2.365 4.919 1.00 0.00 N ATOM 618 CA GLU A 41 4.576 0.984 4.760 1.00 0.00 C ATOM 619 C GLU A 41 5.769 0.103 4.386 1.00 0.00 C ATOM 620 O GLU A 41 6.787 0.600 3.908 1.00 0.00 O ATOM 621 CB GLU A 41 3.462 0.870 3.717 1.00 0.00 C ATOM 622 CG GLU A 41 2.528 2.080 3.777 1.00 0.00 C ATOM 623 CD GLU A 41 1.062 1.641 3.793 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.814 0.477 3.412 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.223 2.481 4.186 1.00 0.00 O ATOM 0 H GLU A 41 4.758 2.978 4.140 1.00 0.00 H new ATOM 0 HA GLU A 41 4.176 0.634 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.898 0.792 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.891 -0.043 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.745 2.668 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.708 2.726 2.918 1.00 0.00 H new ATOM 632 N PRO A 42 5.599 -1.225 4.624 1.00 0.00 N ATOM 633 CA PRO A 42 6.650 -2.181 4.318 1.00 0.00 C ATOM 634 C PRO A 42 6.745 -2.428 2.811 1.00 0.00 C ATOM 635 O PRO A 42 5.796 -2.915 2.198 1.00 0.00 O ATOM 636 CB PRO A 42 6.287 -3.431 5.103 1.00 0.00 C ATOM 637 CG PRO A 42 4.813 -3.292 5.448 1.00 0.00 C ATOM 638 CD PRO A 42 4.407 -1.850 5.189 1.00 0.00 C ATOM 0 HA PRO A 42 7.640 -1.823 4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.467 -4.329 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.893 -3.516 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.214 -3.972 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.639 -3.556 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.565 -1.794 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.098 -1.354 6.109 1.00 0.00 H new ATOM 646 N ILE A 43 7.898 -2.081 2.258 1.00 0.00 N ATOM 647 CA ILE A 43 8.129 -2.259 0.835 1.00 0.00 C ATOM 648 C ILE A 43 7.544 -3.602 0.391 1.00 0.00 C ATOM 649 O ILE A 43 6.896 -3.687 -0.651 1.00 0.00 O ATOM 650 CB ILE A 43 9.615 -2.098 0.509 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.472 -3.007 1.393 1.00 0.00 C ATOM 652 CG2 ILE A 43 10.042 -0.633 0.608 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.935 -2.984 0.947 1.00 0.00 C ATOM 0 H ILE A 43 8.682 -1.677 2.770 1.00 0.00 H new ATOM 0 HA ILE A 43 7.616 -1.484 0.266 1.00 0.00 H new ATOM 0 HB ILE A 43 9.774 -2.410 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.400 -2.684 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.091 -4.027 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.103 -0.546 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.463 -0.037 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.865 -0.270 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.522 -3.638 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.007 -3.331 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.320 -1.967 1.015 1.00 0.00 H new ATOM 665 N ARG A 44 7.793 -4.617 1.205 1.00 0.00 N ATOM 666 CA ARG A 44 7.299 -5.951 0.910 1.00 0.00 C ATOM 667 C ARG A 44 6.984 -6.700 2.207 1.00 0.00 C ATOM 668 O ARG A 44 7.825 -6.780 3.101 1.00 0.00 O ATOM 669 CB ARG A 44 8.323 -6.752 0.103 1.00 0.00 C ATOM 670 CG ARG A 44 7.816 -8.169 -0.173 1.00 0.00 C ATOM 671 CD ARG A 44 6.858 -8.186 -1.366 1.00 0.00 C ATOM 672 NE ARG A 44 7.581 -8.595 -2.591 1.00 0.00 N ATOM 673 CZ ARG A 44 8.194 -9.777 -2.741 1.00 0.00 C ATOM 674 NH1 ARG A 44 8.175 -10.674 -1.745 1.00 0.00 N ATOM 675 NH2 ARG A 44 8.826 -10.063 -3.888 1.00 0.00 N ATOM 0 H ARG A 44 8.330 -4.542 2.069 1.00 0.00 H new ATOM 0 HA ARG A 44 6.390 -5.844 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.526 -6.244 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.265 -6.799 0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.661 -8.829 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.309 -8.556 0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.035 -8.875 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.420 -7.198 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 44 7.615 -7.936 -3.369 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.694 -10.457 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.642 -11.574 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.840 -9.381 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.293 -10.963 -4.002 1.00 0.00 H new ATOM 689 N LEU A 45 5.771 -7.229 2.268 1.00 0.00 N ATOM 690 CA LEU A 45 5.335 -7.968 3.440 1.00 0.00 C ATOM 691 C LEU A 45 5.872 -9.399 3.365 1.00 0.00 C ATOM 692 O LEU A 45 6.387 -9.818 2.329 1.00 0.00 O ATOM 693 CB LEU A 45 3.814 -7.889 3.589 1.00 0.00 C ATOM 694 CG LEU A 45 3.278 -6.679 4.357 1.00 0.00 C ATOM 695 CD1 LEU A 45 1.912 -6.249 3.818 1.00 0.00 C ATOM 696 CD2 LEU A 45 3.238 -6.958 5.861 1.00 0.00 C ATOM 0 H LEU A 45 5.076 -7.160 1.524 1.00 0.00 H new ATOM 0 HA LEU A 45 5.744 -7.521 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.371 -7.888 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.470 -8.794 4.090 1.00 0.00 H new ATOM 0 HG LEU A 45 3.963 -5.845 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.554 -5.387 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.004 -5.982 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.204 -7.071 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.853 -6.082 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.588 -7.811 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.244 -7.180 6.217 1.00 0.00 H new ATOM 708 N PHE A 46 5.733 -10.108 4.475 1.00 0.00 N ATOM 709 CA PHE A 46 6.198 -11.483 4.547 1.00 0.00 C ATOM 710 C PHE A 46 5.233 -12.427 3.826 1.00 0.00 C ATOM 711 O PHE A 46 4.195 -12.795 4.372 1.00 0.00 O ATOM 712 CB PHE A 46 6.248 -11.861 6.029 1.00 0.00 C ATOM 713 CG PHE A 46 7.388 -12.816 6.389 1.00 0.00 C ATOM 714 CD1 PHE A 46 7.471 -14.033 5.786 1.00 0.00 C ATOM 715 CD2 PHE A 46 8.317 -12.450 7.312 1.00 0.00 C ATOM 716 CE1 PHE A 46 8.529 -14.920 6.120 1.00 0.00 C ATOM 717 CE2 PHE A 46 9.374 -13.337 7.646 1.00 0.00 C ATOM 718 CZ PHE A 46 9.458 -14.553 7.043 1.00 0.00 C ATOM 0 H PHE A 46 5.305 -9.757 5.332 1.00 0.00 H new ATOM 0 HA PHE A 46 7.174 -11.571 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.348 -10.952 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.300 -12.321 6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.733 -14.324 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.251 -11.484 7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.596 -15.886 5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.112 -13.046 8.379 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.262 -15.227 7.297 1.00 0.00 H new ATOM 728 N GLY A 47 5.611 -12.790 2.609 1.00 0.00 N ATOM 729 CA GLY A 47 4.793 -13.683 1.807 1.00 0.00 C ATOM 730 C GLY A 47 4.206 -12.952 0.598 1.00 0.00 C ATOM 731 O GLY A 47 3.784 -13.584 -0.370 1.00 0.00 O ATOM 0 H GLY A 47 6.473 -12.482 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.394 -14.527 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.987 -14.090 2.417 1.00 0.00 H new ATOM 735 N GLU A 48 4.198 -11.630 0.692 1.00 0.00 N ATOM 736 CA GLU A 48 3.670 -10.806 -0.382 1.00 0.00 C ATOM 737 C GLU A 48 4.570 -10.902 -1.615 1.00 0.00 C ATOM 738 O GLU A 48 5.750 -11.231 -1.504 1.00 0.00 O ATOM 739 CB GLU A 48 3.511 -9.353 0.070 1.00 0.00 C ATOM 740 CG GLU A 48 2.039 -9.010 0.306 1.00 0.00 C ATOM 741 CD GLU A 48 1.835 -7.496 0.385 1.00 0.00 C ATOM 742 OE1 GLU A 48 2.855 -6.794 0.550 1.00 0.00 O ATOM 743 OE2 GLU A 48 0.662 -7.075 0.280 1.00 0.00 O ATOM 0 H GLU A 48 4.549 -11.109 1.496 1.00 0.00 H new ATOM 0 HA GLU A 48 2.681 -11.179 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.078 -9.190 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.927 -8.686 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.432 -9.421 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.697 -9.475 1.230 1.00 0.00 H new ATOM 750 N THR A 49 3.978 -10.608 -2.764 1.00 0.00 N ATOM 751 CA THR A 49 4.712 -10.656 -4.017 1.00 0.00 C ATOM 752 C THR A 49 4.720 -9.279 -4.684 1.00 0.00 C ATOM 753 O THR A 49 3.905 -8.420 -4.352 1.00 0.00 O ATOM 754 CB THR A 49 4.088 -11.749 -4.888 1.00 0.00 C ATOM 755 OG1 THR A 49 4.919 -11.787 -6.045 1.00 0.00 O ATOM 756 CG2 THR A 49 2.713 -11.353 -5.429 1.00 0.00 C ATOM 0 H THR A 49 2.999 -10.336 -2.853 1.00 0.00 H new ATOM 0 HA THR A 49 5.759 -10.909 -3.852 1.00 0.00 H new ATOM 0 HB THR A 49 3.999 -12.668 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.587 -12.471 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.315 -12.163 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.036 -11.160 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.806 -10.453 -6.036 1.00 0.00 H new ATOM 764 N ASP A 50 5.651 -9.112 -5.612 1.00 0.00 N ATOM 765 CA ASP A 50 5.776 -7.854 -6.328 1.00 0.00 C ATOM 766 C ASP A 50 4.381 -7.314 -6.651 1.00 0.00 C ATOM 767 O ASP A 50 4.123 -6.121 -6.500 1.00 0.00 O ATOM 768 CB ASP A 50 6.526 -8.044 -7.648 1.00 0.00 C ATOM 769 CG ASP A 50 8.048 -7.923 -7.551 1.00 0.00 C ATOM 770 OD1 ASP A 50 8.504 -6.854 -7.091 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.721 -8.903 -7.938 1.00 0.00 O ATOM 0 H ASP A 50 6.326 -9.827 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 50 6.329 -7.160 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.280 -9.027 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.163 -7.307 -8.364 1.00 0.00 H new ATOM 776 N TYR A 51 3.518 -8.219 -7.088 1.00 0.00 N ATOM 777 CA TYR A 51 2.156 -7.849 -7.433 1.00 0.00 C ATOM 778 C TYR A 51 1.415 -7.291 -6.216 1.00 0.00 C ATOM 779 O TYR A 51 1.011 -6.129 -6.210 1.00 0.00 O ATOM 780 CB TYR A 51 1.469 -9.140 -7.884 1.00 0.00 C ATOM 781 CG TYR A 51 0.405 -8.934 -8.964 1.00 0.00 C ATOM 782 CD1 TYR A 51 -0.269 -7.732 -9.048 1.00 0.00 C ATOM 783 CD2 TYR A 51 0.118 -9.949 -9.854 1.00 0.00 C ATOM 784 CE1 TYR A 51 -1.271 -7.538 -10.064 1.00 0.00 C ATOM 785 CE2 TYR A 51 -0.884 -9.755 -10.869 1.00 0.00 C ATOM 786 CZ TYR A 51 -1.529 -8.559 -10.924 1.00 0.00 C ATOM 787 OH TYR A 51 -2.475 -8.376 -11.884 1.00 0.00 O ATOM 0 H TYR A 51 3.736 -9.208 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 51 2.152 -7.081 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.225 -9.830 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.007 -9.615 -7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.045 -6.937 -8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.645 -10.889 -9.789 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.805 -6.603 -10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.118 -10.542 -11.571 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.552 -9.189 -12.426 1.00 0.00 H new ATOM 797 N ASP A 52 1.258 -8.145 -5.215 1.00 0.00 N ATOM 798 CA ASP A 52 0.573 -7.751 -3.996 1.00 0.00 C ATOM 799 C ASP A 52 1.108 -6.395 -3.531 1.00 0.00 C ATOM 800 O ASP A 52 0.344 -5.444 -3.371 1.00 0.00 O ATOM 801 CB ASP A 52 0.815 -8.765 -2.876 1.00 0.00 C ATOM 802 CG ASP A 52 -0.431 -9.158 -2.080 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.370 -8.334 -2.050 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.416 -10.275 -1.518 1.00 0.00 O ATOM 0 H ASP A 52 1.594 -9.108 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.494 -7.699 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.250 -9.666 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.553 -8.354 -2.187 1.00 0.00 H new ATOM 809 N ALA A 53 2.416 -6.350 -3.326 1.00 0.00 N ATOM 810 CA ALA A 53 3.062 -5.126 -2.882 1.00 0.00 C ATOM 811 C ALA A 53 2.688 -3.985 -3.829 1.00 0.00 C ATOM 812 O ALA A 53 2.279 -2.913 -3.384 1.00 0.00 O ATOM 813 CB ALA A 53 4.574 -5.347 -2.803 1.00 0.00 C ATOM 0 H ALA A 53 3.046 -7.141 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 53 2.720 -4.851 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.059 -4.429 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.788 -6.148 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.954 -5.621 -3.787 1.00 0.00 H new ATOM 819 N PHE A 54 2.842 -4.253 -5.117 1.00 0.00 N ATOM 820 CA PHE A 54 2.525 -3.261 -6.131 1.00 0.00 C ATOM 821 C PHE A 54 1.076 -2.789 -6.003 1.00 0.00 C ATOM 822 O PHE A 54 0.822 -1.611 -5.754 1.00 0.00 O ATOM 823 CB PHE A 54 2.711 -3.937 -7.491 1.00 0.00 C ATOM 824 CG PHE A 54 1.864 -3.327 -8.610 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.938 -1.994 -8.869 1.00 0.00 C ATOM 826 CD2 PHE A 54 1.036 -4.117 -9.345 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.152 -1.427 -9.907 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.250 -3.551 -10.383 1.00 0.00 C ATOM 829 CZ PHE A 54 0.325 -2.218 -10.642 1.00 0.00 C ATOM 0 H PHE A 54 3.182 -5.143 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 54 3.173 -2.392 -6.016 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.762 -3.880 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.463 -4.994 -7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.595 -1.366 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.976 -5.175 -9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.211 -0.368 -10.113 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.407 -4.179 -10.967 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.273 -1.787 -11.432 1.00 0.00 H new ATOM 839 N GLN A 55 0.162 -3.732 -6.178 1.00 0.00 N ATOM 840 CA GLN A 55 -1.256 -3.427 -6.084 1.00 0.00 C ATOM 841 C GLN A 55 -1.546 -2.640 -4.805 1.00 0.00 C ATOM 842 O GLN A 55 -2.216 -1.609 -4.845 1.00 0.00 O ATOM 843 CB GLN A 55 -2.096 -4.704 -6.145 1.00 0.00 C ATOM 844 CG GLN A 55 -1.939 -5.400 -7.498 1.00 0.00 C ATOM 845 CD GLN A 55 -3.000 -4.916 -8.490 1.00 0.00 C ATOM 846 OE1 GLN A 55 -3.136 -3.735 -8.766 1.00 0.00 O ATOM 847 NE2 GLN A 55 -3.741 -5.891 -9.008 1.00 0.00 N ATOM 0 H GLN A 55 0.376 -4.708 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.532 -2.808 -6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.793 -5.381 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.145 -4.462 -5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.945 -5.204 -7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.023 -6.479 -7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.574 -6.859 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.476 -5.671 -9.680 1.00 0.00 H new ATOM 856 N ARG A 56 -1.028 -3.155 -3.700 1.00 0.00 N ATOM 857 CA ARG A 56 -1.223 -2.513 -2.411 1.00 0.00 C ATOM 858 C ARG A 56 -1.037 -1.000 -2.539 1.00 0.00 C ATOM 859 O ARG A 56 -1.954 -0.232 -2.251 1.00 0.00 O ATOM 860 CB ARG A 56 -0.241 -3.056 -1.371 1.00 0.00 C ATOM 861 CG ARG A 56 -0.823 -2.950 0.040 1.00 0.00 C ATOM 862 CD ARG A 56 -0.314 -4.087 0.929 1.00 0.00 C ATOM 863 NE ARG A 56 1.081 -4.424 0.570 1.00 0.00 N ATOM 864 CZ ARG A 56 2.154 -3.753 1.012 1.00 0.00 C ATOM 865 NH1 ARG A 56 1.997 -2.705 1.831 1.00 0.00 N ATOM 866 NH2 ARG A 56 3.383 -4.131 0.634 1.00 0.00 N ATOM 0 H ARG A 56 -0.473 -4.010 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.239 -2.731 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.007 -4.097 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.695 -2.501 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.550 -1.990 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.912 -2.981 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.367 -3.792 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.950 -4.964 0.812 1.00 0.00 H new ATOM 0 HE ARG A 56 1.236 -5.217 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.061 -2.418 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.813 -2.194 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.502 -4.929 0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.200 -3.621 0.970 1.00 0.00 H new ATOM 880 N LEU A 57 0.156 -0.617 -2.971 1.00 0.00 N ATOM 881 CA LEU A 57 0.474 0.791 -3.139 1.00 0.00 C ATOM 882 C LEU A 57 -0.472 1.402 -4.176 1.00 0.00 C ATOM 883 O LEU A 57 -1.094 2.432 -3.922 1.00 0.00 O ATOM 884 CB LEU A 57 1.955 0.968 -3.478 1.00 0.00 C ATOM 885 CG LEU A 57 2.393 2.387 -3.849 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.129 2.673 -5.328 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.730 3.421 -2.937 1.00 0.00 C ATOM 0 H LEU A 57 0.914 -1.257 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 57 0.317 1.332 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.545 0.639 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.199 0.305 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 57 3.469 2.464 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.449 3.688 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.686 1.964 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.063 2.571 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.058 4.421 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.647 3.352 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.012 3.228 -1.902 1.00 0.00 H new ATOM 899 N ARG A 58 -0.550 0.741 -5.321 1.00 0.00 N ATOM 900 CA ARG A 58 -1.409 1.206 -6.397 1.00 0.00 C ATOM 901 C ARG A 58 -2.786 1.588 -5.849 1.00 0.00 C ATOM 902 O ARG A 58 -3.490 2.403 -6.443 1.00 0.00 O ATOM 903 CB ARG A 58 -1.576 0.131 -7.473 1.00 0.00 C ATOM 904 CG ARG A 58 -1.245 0.687 -8.859 1.00 0.00 C ATOM 905 CD ARG A 58 -2.518 1.086 -9.608 1.00 0.00 C ATOM 906 NE ARG A 58 -3.020 -0.060 -10.398 1.00 0.00 N ATOM 907 CZ ARG A 58 -4.004 0.025 -11.304 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.598 1.203 -11.539 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.395 -1.068 -11.974 1.00 0.00 N ATOM 0 H ARG A 58 -0.032 -0.113 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.936 2.080 -6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.925 -0.715 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.600 -0.243 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.590 1.553 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.700 -0.061 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.280 1.412 -8.900 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.313 1.930 -10.266 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.590 -0.972 -10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.301 2.035 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.347 1.268 -12.228 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.944 -1.965 -11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.144 -1.003 -12.663 1.00 0.00 H new ATOM 923 N LYS A 59 -3.128 0.982 -4.722 1.00 0.00 N ATOM 924 CA LYS A 59 -4.407 1.248 -4.087 1.00 0.00 C ATOM 925 C LYS A 59 -4.241 2.375 -3.066 1.00 0.00 C ATOM 926 O LYS A 59 -5.141 3.194 -2.888 1.00 0.00 O ATOM 927 CB LYS A 59 -4.990 -0.037 -3.495 1.00 0.00 C ATOM 928 CG LYS A 59 -6.144 0.273 -2.540 1.00 0.00 C ATOM 929 CD LYS A 59 -7.261 1.032 -3.258 1.00 0.00 C ATOM 930 CE LYS A 59 -8.588 0.893 -2.509 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.710 1.365 -3.350 1.00 0.00 N ATOM 0 H LYS A 59 -2.541 0.307 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.133 1.590 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.342 -0.684 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.210 -0.583 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.538 -0.655 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.778 0.865 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.995 2.086 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.371 0.650 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.748 -0.149 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.552 1.468 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.603 1.264 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.564 2.365 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.753 0.798 -4.221 1.00 0.00 H new ATOM 945 N ILE A 60 -3.083 2.380 -2.422 1.00 0.00 N ATOM 946 CA ILE A 60 -2.787 3.393 -1.423 1.00 0.00 C ATOM 947 C ILE A 60 -2.807 4.774 -2.082 1.00 0.00 C ATOM 948 O ILE A 60 -3.390 5.714 -1.544 1.00 0.00 O ATOM 949 CB ILE A 60 -1.473 3.072 -0.708 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.625 1.845 0.194 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.956 4.289 0.062 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.345 1.588 0.991 1.00 0.00 C ATOM 0 H ILE A 60 -2.339 1.699 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.553 3.398 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.725 2.827 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.460 1.994 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.862 0.971 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.021 4.034 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.784 5.112 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.694 4.589 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.480 0.711 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.483 1.416 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.124 2.454 1.615 1.00 0.00 H new ATOM 964 N GLU A 61 -2.163 4.853 -3.237 1.00 0.00 N ATOM 965 CA GLU A 61 -2.099 6.103 -3.975 1.00 0.00 C ATOM 966 C GLU A 61 -3.508 6.641 -4.230 1.00 0.00 C ATOM 967 O GLU A 61 -3.749 7.841 -4.112 1.00 0.00 O ATOM 968 CB GLU A 61 -1.334 5.926 -5.288 1.00 0.00 C ATOM 969 CG GLU A 61 0.114 5.505 -5.026 1.00 0.00 C ATOM 970 CD GLU A 61 0.928 6.666 -4.452 1.00 0.00 C ATOM 971 OE1 GLU A 61 1.495 7.422 -5.270 1.00 0.00 O ATOM 972 OE2 GLU A 61 0.964 6.772 -3.207 1.00 0.00 O ATOM 0 H GLU A 61 -1.681 4.071 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.556 6.831 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.829 5.175 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.349 6.859 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.132 4.665 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.570 5.161 -5.954 1.00 0.00 H new ATOM 979 N ILE A 62 -4.403 5.726 -4.575 1.00 0.00 N ATOM 980 CA ILE A 62 -5.782 6.094 -4.847 1.00 0.00 C ATOM 981 C ILE A 62 -6.398 6.715 -3.592 1.00 0.00 C ATOM 982 O ILE A 62 -6.912 7.832 -3.636 1.00 0.00 O ATOM 983 CB ILE A 62 -6.561 4.891 -5.383 1.00 0.00 C ATOM 984 CG1 ILE A 62 -5.874 4.298 -6.615 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.019 5.263 -5.663 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.332 2.858 -6.858 1.00 0.00 C ATOM 0 H ILE A 62 -4.200 4.731 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.827 6.850 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.568 4.118 -4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.099 4.908 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.793 4.322 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.551 4.391 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.491 5.603 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.055 6.061 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.829 2.460 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.084 2.246 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.410 2.841 -7.017 1.00 0.00 H new ATOM 998 N LEU A 63 -6.324 5.965 -2.502 1.00 0.00 N ATOM 999 CA LEU A 63 -6.868 6.428 -1.237 1.00 0.00 C ATOM 1000 C LEU A 63 -6.460 7.886 -1.014 1.00 0.00 C ATOM 1001 O LEU A 63 -7.311 8.773 -0.971 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.451 5.492 -0.100 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.388 4.315 0.177 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -6.768 3.346 1.186 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.766 4.805 0.626 1.00 0.00 C ATOM 0 H LEU A 63 -5.896 5.040 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.957 6.401 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.461 5.097 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.359 6.080 0.813 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.529 3.765 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.455 2.519 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.829 2.959 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.578 3.869 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.413 3.948 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.664 5.392 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.205 5.424 -0.157 1.00 0.00 H new ATOM 1017 N THR A 64 -5.157 8.088 -0.879 1.00 0.00 N ATOM 1018 CA THR A 64 -4.626 9.423 -0.662 1.00 0.00 C ATOM 1019 C THR A 64 -5.330 10.431 -1.571 1.00 0.00 C ATOM 1020 O THR A 64 -5.678 10.111 -2.707 1.00 0.00 O ATOM 1021 CB THR A 64 -3.111 9.369 -0.872 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.634 8.608 0.235 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.447 10.736 -0.698 1.00 0.00 C ATOM 0 H THR A 64 -4.454 7.350 -0.916 1.00 0.00 H new ATOM 0 HA THR A 64 -4.816 9.764 0.356 1.00 0.00 H new ATOM 0 HB THR A 64 -2.896 8.985 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.043 7.896 -0.088 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.373 10.642 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.861 11.437 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.633 11.105 0.311 1.00 0.00 H new ATOM 1031 N PRO A 65 -5.524 11.661 -1.024 1.00 0.00 N ATOM 1032 CA PRO A 65 -6.181 12.719 -1.774 1.00 0.00 C ATOM 1033 C PRO A 65 -5.244 13.301 -2.835 1.00 0.00 C ATOM 1034 O PRO A 65 -4.238 12.686 -3.185 1.00 0.00 O ATOM 1035 CB PRO A 65 -6.601 13.739 -0.729 1.00 0.00 C ATOM 1036 CG PRO A 65 -5.761 13.444 0.503 1.00 0.00 C ATOM 1037 CD PRO A 65 -5.126 12.076 0.318 1.00 0.00 C ATOM 0 HA PRO A 65 -7.046 12.364 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.430 14.755 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.665 13.654 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.993 14.207 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.380 13.459 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.041 12.127 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.478 11.371 1.071 1.00 0.00 H new ATOM 1045 N GLU A 66 -5.609 14.479 -3.318 1.00 0.00 N ATOM 1046 CA GLU A 66 -4.815 15.151 -4.332 1.00 0.00 C ATOM 1047 C GLU A 66 -4.798 14.330 -5.623 1.00 0.00 C ATOM 1048 O GLU A 66 -4.623 13.113 -5.587 1.00 0.00 O ATOM 1049 CB GLU A 66 -3.393 15.413 -3.830 1.00 0.00 C ATOM 1050 CG GLU A 66 -3.143 16.912 -3.651 1.00 0.00 C ATOM 1051 CD GLU A 66 -1.646 17.227 -3.696 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -0.881 16.429 -3.113 1.00 0.00 O ATOM 1053 OE2 GLU A 66 -1.302 18.258 -4.313 1.00 0.00 O ATOM 0 H GLU A 66 -6.445 14.986 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.274 16.117 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.238 14.899 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.672 15.002 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.659 17.467 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.560 17.243 -2.700 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.982 15.029 -6.733 1.00 0.00 N ATOM 1061 CA VAL A 67 -4.991 14.380 -8.033 1.00 0.00 C ATOM 1062 C VAL A 67 -5.759 13.061 -7.935 1.00 0.00 C ATOM 1063 O VAL A 67 -5.159 11.987 -7.946 1.00 0.00 O ATOM 1064 CB VAL A 67 -3.557 14.201 -8.538 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.542 13.582 -9.937 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -2.799 15.530 -8.518 1.00 0.00 C ATOM 0 H VAL A 67 -5.126 16.038 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.505 15.001 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.047 13.514 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.511 13.466 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.027 12.606 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.077 14.233 -10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.783 15.375 -8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.308 16.249 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.765 15.914 -7.498 1.00 0.00 H new ATOM 1076 N ASN A 68 -7.075 13.185 -7.842 1.00 0.00 N ATOM 1077 CA ASN A 68 -7.931 12.015 -7.742 1.00 0.00 C ATOM 1078 C ASN A 68 -9.386 12.465 -7.587 1.00 0.00 C ATOM 1079 O ASN A 68 -9.655 13.521 -7.016 1.00 0.00 O ATOM 1080 CB ASN A 68 -7.566 11.168 -6.521 1.00 0.00 C ATOM 1081 CG ASN A 68 -7.879 9.691 -6.766 1.00 0.00 C ATOM 1082 OD1 ASN A 68 -8.757 9.105 -6.154 1.00 0.00 O ATOM 1083 ND2 ASN A 68 -7.114 9.122 -7.693 1.00 0.00 N ATOM 0 H ASN A 68 -7.569 14.077 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.797 11.421 -8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.506 11.286 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.119 11.521 -5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.245 8.138 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.396 9.669 -8.168 1.00 0.00 H new ATOM 1090 N LYS A 69 -10.285 11.642 -8.106 1.00 0.00 N ATOM 1091 CA LYS A 69 -11.704 11.943 -8.033 1.00 0.00 C ATOM 1092 C LYS A 69 -12.323 11.178 -6.861 1.00 0.00 C ATOM 1093 O LYS A 69 -13.202 10.340 -7.057 1.00 0.00 O ATOM 1094 CB LYS A 69 -12.381 11.662 -9.376 1.00 0.00 C ATOM 1095 CG LYS A 69 -12.401 10.162 -9.677 1.00 0.00 C ATOM 1096 CD LYS A 69 -12.363 9.904 -11.185 1.00 0.00 C ATOM 1097 CE LYS A 69 -11.405 8.759 -11.522 1.00 0.00 C ATOM 1098 NZ LYS A 69 -11.037 8.796 -12.954 1.00 0.00 N ATOM 0 H LYS A 69 -10.058 10.767 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.859 13.004 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.401 12.047 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.853 12.189 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.547 9.681 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.298 9.714 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.364 9.662 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.050 10.810 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.508 8.835 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.873 7.804 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.387 8.012 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.894 8.701 -13.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.571 9.700 -13.169 1.00 0.00 H new ATOM 1112 N GLY A 70 -11.840 11.495 -5.669 1.00 0.00 N ATOM 1113 CA GLY A 70 -12.334 10.849 -4.465 1.00 0.00 C ATOM 1114 C GLY A 70 -13.789 11.237 -4.192 1.00 0.00 C ATOM 1115 O GLY A 70 -14.709 10.643 -4.751 1.00 0.00 O ATOM 0 H GLY A 70 -11.111 12.191 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.256 9.767 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.713 11.132 -3.615 1.00 0.00 H new ATOM 1119 N SER A 71 -13.951 12.232 -3.332 1.00 0.00 N ATOM 1120 CA SER A 71 -15.277 12.707 -2.979 1.00 0.00 C ATOM 1121 C SER A 71 -16.104 11.562 -2.391 1.00 0.00 C ATOM 1122 O SER A 71 -15.736 10.395 -2.521 1.00 0.00 O ATOM 1123 CB SER A 71 -15.990 13.307 -4.192 1.00 0.00 C ATOM 1124 OG SER A 71 -16.603 12.307 -5.000 1.00 0.00 O ATOM 0 H SER A 71 -13.185 12.722 -2.869 1.00 0.00 H new ATOM 0 HA SER A 71 -15.170 13.492 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.747 14.014 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.274 13.869 -4.792 1.00 0.00 H new ATOM 0 HG SER A 71 -15.929 11.651 -5.276 1.00 0.00 H new ATOM 1130 N GLY A 72 -17.206 11.934 -1.757 1.00 0.00 N ATOM 1131 CA GLY A 72 -18.088 10.952 -1.149 1.00 0.00 C ATOM 1132 C GLY A 72 -17.603 10.573 0.252 1.00 0.00 C ATOM 1133 O GLY A 72 -16.979 11.381 0.937 1.00 0.00 O ATOM 0 H GLY A 72 -17.509 12.902 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.100 11.353 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.133 10.061 -1.776 1.00 0.00 H new ATOM 1137 N PRO A 73 -17.916 9.309 0.646 1.00 0.00 N ATOM 1138 CA PRO A 73 -17.519 8.812 1.952 1.00 0.00 C ATOM 1139 C PRO A 73 -16.024 8.489 1.985 1.00 0.00 C ATOM 1140 O PRO A 73 -15.341 8.592 0.968 1.00 0.00 O ATOM 1141 CB PRO A 73 -18.396 7.595 2.193 1.00 0.00 C ATOM 1142 CG PRO A 73 -18.920 7.181 0.827 1.00 0.00 C ATOM 1143 CD PRO A 73 -18.654 8.324 -0.139 1.00 0.00 C ATOM 0 HA PRO A 73 -17.658 9.549 2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.826 6.788 2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.216 7.833 2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.425 6.271 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.987 6.964 0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.075 7.989 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.584 8.741 -0.524 1.00 0.00 H new ATOM 1151 N SER A 74 -15.561 8.103 3.165 1.00 0.00 N ATOM 1152 CA SER A 74 -14.159 7.763 3.343 1.00 0.00 C ATOM 1153 C SER A 74 -14.034 6.401 4.028 1.00 0.00 C ATOM 1154 O SER A 74 -13.424 5.482 3.483 1.00 0.00 O ATOM 1155 CB SER A 74 -13.432 8.835 4.157 1.00 0.00 C ATOM 1156 OG SER A 74 -12.148 8.396 4.592 1.00 0.00 O ATOM 0 H SER A 74 -16.131 8.018 4.007 1.00 0.00 H new ATOM 0 HA SER A 74 -13.692 7.712 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.322 9.736 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.036 9.104 5.024 1.00 0.00 H new ATOM 0 HG SER A 74 -11.716 9.109 5.107 1.00 0.00 H new ATOM 1162 N SER A 75 -14.621 6.313 5.212 1.00 0.00 N ATOM 1163 CA SER A 75 -14.583 5.078 5.977 1.00 0.00 C ATOM 1164 C SER A 75 -15.764 4.186 5.589 1.00 0.00 C ATOM 1165 O SER A 75 -16.807 4.680 5.165 1.00 0.00 O ATOM 1166 CB SER A 75 -14.603 5.361 7.481 1.00 0.00 C ATOM 1167 OG SER A 75 -14.792 4.173 8.245 1.00 0.00 O ATOM 0 H SER A 75 -15.126 7.077 5.661 1.00 0.00 H new ATOM 0 HA SER A 75 -13.653 4.560 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.666 5.835 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.401 6.068 7.706 1.00 0.00 H new ATOM 0 HG SER A 75 -14.797 4.395 9.199 1.00 0.00 H new ATOM 1173 N GLY A 76 -15.559 2.887 5.748 1.00 0.00 N ATOM 1174 CA GLY A 76 -16.594 1.921 5.420 1.00 0.00 C ATOM 1175 C GLY A 76 -16.233 1.139 4.155 1.00 0.00 C ATOM 1176 O GLY A 76 -15.579 1.670 3.259 1.00 0.00 O ATOM 0 H GLY A 76 -14.692 2.481 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.729 1.231 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.544 2.435 5.275 1.00 0.00 H new TER 1180 GLY A 76