USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 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 65 ASN : amide:sc= -0.0882 K(o=0.66,f=-4.4!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.746 K(o=0.66,f=-3.4) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.00418 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.4) USER MOD Single : A 5 MET CE :methyl -161:sc= -0.0547 (180deg=-0.453) USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= 0.375 (180deg=0.042) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00638 USER MOD Single : A 8 CYS SG : rot 180:sc= 0.111 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 20 THR OG1 : rot -27:sc= 0.0709 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 1.1 (180deg=0.524) USER MOD Single : A 28 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.08 (180deg=1.06) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 0.611 (180deg=0.319) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.69) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.603 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.92 K(o=1.9,f=-5.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 52 SER OG : rot 166:sc= 1.98 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.273 USER MOD Single : A 70 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.9) USER MOD Single : A 74 ASN : amide:sc= 0.845 K(o=0.84,f=0) USER MOD Single : A 77 MET CE :methyl -170:sc= -0.138 (180deg=-0.249) USER MOD Single : A 78 SER OG : rot 6:sc= 0.267 USER MOD Single : A 80 MET CE :methyl -152:sc= -0.951 (180deg=-1.61) USER MOD Single : A 81 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.4) USER MOD Single : A 82 SER OG : rot -46:sc= 0.721 USER MOD Single : A 83 HIS : no HD1:sc= 0.937 K(o=0.94,f=-4.3!) USER MOD Single : A 84 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.866 -1.911 -15.832 1.00 0.00 N ATOM 2 CA SER A 1 5.778 -0.542 -15.290 1.00 0.00 C ATOM 3 C SER A 1 6.674 0.421 -16.066 1.00 0.00 C ATOM 4 O SER A 1 6.175 1.345 -16.705 1.00 0.00 O ATOM 5 CB SER A 1 6.104 -0.537 -13.796 1.00 0.00 C ATOM 6 OG SER A 1 7.396 -1.059 -13.569 1.00 0.00 O ATOM 0 H1 SER A 1 4.934 -2.368 -15.773 1.00 0.00 H new ATOM 0 H2 SER A 1 6.171 -1.872 -16.826 1.00 0.00 H new ATOM 0 H3 SER A 1 6.556 -2.459 -15.280 1.00 0.00 H new ATOM 0 HA SER A 1 4.753 -0.191 -15.411 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.043 0.480 -13.408 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.366 -1.129 -13.255 1.00 0.00 H new ATOM 0 HG SER A 1 7.589 -1.047 -12.608 1.00 0.00 H new ATOM 12 N GLY A 2 7.994 0.212 -16.021 1.00 0.00 N ATOM 13 CA GLY A 2 8.950 1.042 -16.739 1.00 0.00 C ATOM 14 C GLY A 2 10.381 0.582 -16.471 1.00 0.00 C ATOM 15 O GLY A 2 10.605 -0.389 -15.753 1.00 0.00 O ATOM 0 H GLY A 2 8.424 -0.540 -15.483 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.744 0.998 -17.808 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.835 2.082 -16.434 1.00 0.00 H new ATOM 19 N SER A 3 11.352 1.284 -17.056 1.00 0.00 N ATOM 20 CA SER A 3 12.766 0.969 -16.892 1.00 0.00 C ATOM 21 C SER A 3 13.278 1.314 -15.492 1.00 0.00 C ATOM 22 O SER A 3 14.404 0.960 -15.145 1.00 0.00 O ATOM 23 CB SER A 3 13.573 1.726 -17.946 1.00 0.00 C ATOM 24 OG SER A 3 13.191 1.297 -19.239 1.00 0.00 O ATOM 0 H SER A 3 11.177 2.089 -17.658 1.00 0.00 H new ATOM 0 HA SER A 3 12.889 -0.106 -17.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.406 2.798 -17.844 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.639 1.553 -17.795 1.00 0.00 H new ATOM 0 HG SER A 3 13.709 1.786 -19.912 1.00 0.00 H new ATOM 30 N HIS A 4 12.459 1.999 -14.685 1.00 0.00 N ATOM 31 CA HIS A 4 12.814 2.420 -13.337 1.00 0.00 C ATOM 32 C HIS A 4 11.593 2.337 -12.426 1.00 0.00 C ATOM 33 O HIS A 4 10.456 2.342 -12.898 1.00 0.00 O ATOM 34 CB HIS A 4 13.366 3.852 -13.361 1.00 0.00 C ATOM 35 CG HIS A 4 14.556 4.037 -14.262 1.00 0.00 C ATOM 36 ND1 HIS A 4 15.774 3.384 -14.164 1.00 0.00 N ATOM 37 CD2 HIS A 4 14.638 4.907 -15.313 1.00 0.00 C ATOM 38 CE1 HIS A 4 16.575 3.855 -15.137 1.00 0.00 C ATOM 39 NE2 HIS A 4 15.904 4.778 -15.849 1.00 0.00 N ATOM 0 H HIS A 4 11.517 2.278 -14.961 1.00 0.00 H new ATOM 0 HA HIS A 4 13.586 1.755 -12.949 1.00 0.00 H new ATOM 0 HB2 HIS A 4 12.574 4.530 -13.679 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.643 4.140 -12.347 1.00 0.00 H new ATOM 0 HD2 HIS A 4 13.859 5.570 -15.659 1.00 0.00 H new ATOM 0 HE1 HIS A 4 17.593 3.542 -15.317 1.00 0.00 H new ATOM 0 HE2 HIS A 4 16.269 5.295 -16.649 1.00 0.00 H new ATOM 48 N MET A 5 11.828 2.261 -11.112 1.00 0.00 N ATOM 49 CA MET A 5 10.756 2.200 -10.127 1.00 0.00 C ATOM 50 C MET A 5 10.042 3.550 -10.007 1.00 0.00 C ATOM 51 O MET A 5 8.940 3.625 -9.464 1.00 0.00 O ATOM 52 CB MET A 5 11.355 1.756 -8.790 1.00 0.00 C ATOM 53 CG MET A 5 10.303 1.687 -7.682 1.00 0.00 C ATOM 54 SD MET A 5 10.912 1.014 -6.114 1.00 0.00 S ATOM 55 CE MET A 5 11.239 -0.696 -6.618 1.00 0.00 C ATOM 0 H MET A 5 12.764 2.240 -10.708 1.00 0.00 H new ATOM 0 HA MET A 5 10.002 1.478 -10.441 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.820 0.777 -8.909 1.00 0.00 H new ATOM 0 HB3 MET A 5 12.143 2.450 -8.498 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.912 2.689 -7.506 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.469 1.075 -8.027 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.293 -1.332 -5.734 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.435 -1.044 -7.267 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.185 -0.742 -7.157 1.00 0.00 H new ATOM 65 N LYS A 6 10.664 4.622 -10.509 1.00 0.00 N ATOM 66 CA LYS A 6 10.109 5.970 -10.469 1.00 0.00 C ATOM 67 C LYS A 6 10.628 6.787 -11.648 1.00 0.00 C ATOM 68 O LYS A 6 11.808 6.710 -11.990 1.00 0.00 O ATOM 69 CB LYS A 6 10.493 6.612 -9.129 1.00 0.00 C ATOM 70 CG LYS A 6 10.102 8.092 -9.019 1.00 0.00 C ATOM 71 CD LYS A 6 8.586 8.289 -9.076 1.00 0.00 C ATOM 72 CE LYS A 6 8.238 9.773 -8.899 1.00 0.00 C ATOM 73 NZ LYS A 6 8.769 10.589 -10.010 1.00 0.00 N ATOM 0 H LYS A 6 11.578 4.572 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 6 9.023 5.937 -10.550 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.015 6.058 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.570 6.518 -8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.486 8.500 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.571 8.652 -9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.201 7.929 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.106 7.700 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.156 9.890 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.645 10.133 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.427 11.301 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.271 9.975 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.983 11.066 -10.497 1.00 0.00 H new ATOM 87 N THR A 7 9.746 7.573 -12.266 1.00 0.00 N ATOM 88 CA THR A 7 10.093 8.456 -13.373 1.00 0.00 C ATOM 89 C THR A 7 10.935 9.668 -12.991 1.00 0.00 C ATOM 90 O THR A 7 10.903 10.104 -11.841 1.00 0.00 O ATOM 91 CB THR A 7 8.867 8.816 -14.220 1.00 0.00 C ATOM 92 OG1 THR A 7 7.891 7.804 -14.114 1.00 0.00 O ATOM 93 CG2 THR A 7 9.235 9.010 -15.693 1.00 0.00 C ATOM 0 H THR A 7 8.760 7.613 -12.007 1.00 0.00 H new ATOM 0 HA THR A 7 10.762 7.871 -14.004 1.00 0.00 H new ATOM 0 HB THR A 7 8.471 9.757 -13.839 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.111 8.044 -14.657 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.340 9.264 -16.261 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.963 9.816 -15.783 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.664 8.088 -16.085 1.00 0.00 H new ATOM 101 N CYS A 8 11.687 10.220 -13.946 1.00 0.00 N ATOM 102 CA CYS A 8 12.563 11.357 -13.704 1.00 0.00 C ATOM 103 C CYS A 8 11.804 12.656 -13.433 1.00 0.00 C ATOM 104 O CYS A 8 12.412 13.656 -13.050 1.00 0.00 O ATOM 105 CB CYS A 8 13.500 11.526 -14.901 1.00 0.00 C ATOM 106 SG CYS A 8 12.522 11.752 -16.409 1.00 0.00 S ATOM 0 H CYS A 8 11.702 9.886 -14.910 1.00 0.00 H new ATOM 0 HA CYS A 8 13.133 11.147 -12.799 1.00 0.00 H new ATOM 0 HB2 CYS A 8 14.153 12.385 -14.746 1.00 0.00 H new ATOM 0 HB3 CYS A 8 14.142 10.651 -15.000 1.00 0.00 H new ATOM 0 HG CYS A 8 13.319 11.898 -17.425 1.00 0.00 H new ATOM 112 N VAL A 9 10.480 12.654 -13.628 1.00 0.00 N ATOM 113 CA VAL A 9 9.654 13.828 -13.386 1.00 0.00 C ATOM 114 C VAL A 9 9.501 14.139 -11.898 1.00 0.00 C ATOM 115 O VAL A 9 9.462 13.233 -11.065 1.00 0.00 O ATOM 116 CB VAL A 9 8.308 13.681 -14.102 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.382 12.727 -13.348 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.615 15.039 -14.220 1.00 0.00 C ATOM 0 H VAL A 9 9.960 11.840 -13.956 1.00 0.00 H new ATOM 0 HA VAL A 9 10.164 14.694 -13.808 1.00 0.00 H new ATOM 0 HB VAL A 9 8.510 13.277 -15.094 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.435 12.643 -13.880 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.849 11.744 -13.281 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.201 13.112 -12.345 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.660 14.917 -14.731 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.444 15.448 -13.224 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.246 15.721 -14.789 1.00 0.00 H new ATOM 128 N VAL A 10 9.412 15.431 -11.572 1.00 0.00 N ATOM 129 CA VAL A 10 9.279 15.916 -10.204 1.00 0.00 C ATOM 130 C VAL A 10 8.451 17.196 -10.210 1.00 0.00 C ATOM 131 O VAL A 10 8.350 17.877 -11.231 1.00 0.00 O ATOM 132 CB VAL A 10 10.657 16.195 -9.585 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.485 14.919 -9.453 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.447 17.215 -10.413 1.00 0.00 C ATOM 0 H VAL A 10 9.431 16.178 -12.266 1.00 0.00 H new ATOM 0 HA VAL A 10 8.785 15.151 -9.605 1.00 0.00 H new ATOM 0 HB VAL A 10 10.471 16.603 -8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.453 15.157 -9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.960 14.209 -8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.635 14.479 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.417 17.389 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.593 16.829 -11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.893 18.153 -10.460 1.00 0.00 H new ATOM 144 N GLU A 11 7.857 17.525 -9.063 1.00 0.00 N ATOM 145 CA GLU A 11 7.105 18.758 -8.914 1.00 0.00 C ATOM 146 C GLU A 11 8.053 19.929 -8.676 1.00 0.00 C ATOM 147 O GLU A 11 9.145 19.744 -8.142 1.00 0.00 O ATOM 148 CB GLU A 11 6.103 18.633 -7.764 1.00 0.00 C ATOM 149 CG GLU A 11 5.001 17.629 -8.105 1.00 0.00 C ATOM 150 CD GLU A 11 4.106 18.084 -9.261 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.303 17.241 -9.722 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.224 19.260 -9.677 1.00 0.00 O ATOM 0 H GLU A 11 7.886 16.947 -8.223 1.00 0.00 H new ATOM 0 HA GLU A 11 6.551 18.945 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.621 18.317 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.661 19.607 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.457 16.673 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.385 17.462 -7.221 1.00 0.00 H new ATOM 159 N LYS A 12 7.623 21.128 -9.074 1.00 0.00 N ATOM 160 CA LYS A 12 8.424 22.338 -8.932 1.00 0.00 C ATOM 161 C LYS A 12 7.575 23.556 -8.600 1.00 0.00 C ATOM 162 O LYS A 12 6.386 23.603 -8.914 1.00 0.00 O ATOM 163 CB LYS A 12 9.239 22.603 -10.202 1.00 0.00 C ATOM 164 CG LYS A 12 10.309 21.533 -10.430 1.00 0.00 C ATOM 165 CD LYS A 12 11.222 21.911 -11.598 1.00 0.00 C ATOM 166 CE LYS A 12 12.030 23.167 -11.279 1.00 0.00 C ATOM 167 NZ LYS A 12 12.968 23.497 -12.370 1.00 0.00 N ATOM 0 H LYS A 12 6.711 21.284 -9.503 1.00 0.00 H new ATOM 0 HA LYS A 12 9.103 22.168 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.570 22.636 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.714 23.581 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.903 21.409 -9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.832 20.574 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.899 21.085 -11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.623 22.078 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.353 24.005 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.585 23.019 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.501 24.355 -12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.629 22.707 -12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.435 23.662 -13.248 1.00 0.00 H new ATOM 181 N ILE A 13 8.214 24.541 -7.968 1.00 0.00 N ATOM 182 CA ILE A 13 7.641 25.836 -7.640 1.00 0.00 C ATOM 183 C ILE A 13 8.740 26.884 -7.791 1.00 0.00 C ATOM 184 O ILE A 13 9.913 26.577 -7.589 1.00 0.00 O ATOM 185 CB ILE A 13 7.066 25.829 -6.216 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.824 24.928 -6.137 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.715 27.250 -5.759 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.227 24.903 -4.731 1.00 0.00 C ATOM 0 H ILE A 13 9.182 24.450 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 13 6.815 26.069 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 13 7.831 25.431 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.073 25.282 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.091 23.914 -6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.310 27.217 -4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.613 27.868 -5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.973 27.676 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.351 24.254 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.968 24.524 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.935 25.913 -4.442 1.00 0.00 H new ATOM 200 N LYS A 14 8.364 28.113 -8.145 1.00 0.00 N ATOM 201 CA LYS A 14 9.303 29.223 -8.257 1.00 0.00 C ATOM 202 C LYS A 14 8.635 30.518 -7.811 1.00 0.00 C ATOM 203 O LYS A 14 7.471 30.756 -8.123 1.00 0.00 O ATOM 204 CB LYS A 14 9.831 29.313 -9.692 1.00 0.00 C ATOM 205 CG LYS A 14 10.725 30.545 -9.861 1.00 0.00 C ATOM 206 CD LYS A 14 11.374 30.582 -11.247 1.00 0.00 C ATOM 207 CE LYS A 14 10.312 30.604 -12.351 1.00 0.00 C ATOM 208 NZ LYS A 14 10.934 30.669 -13.685 1.00 0.00 N ATOM 0 H LYS A 14 7.399 28.364 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 14 10.156 29.053 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.394 28.412 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.996 29.365 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.134 31.448 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.500 30.541 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.009 31.464 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.018 29.712 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.690 29.712 -12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.655 31.462 -12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.192 30.683 -14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.508 31.533 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.542 29.837 -13.826 1.00 0.00 H new ATOM 222 N GLN A 15 9.380 31.353 -7.086 1.00 0.00 N ATOM 223 CA GLN A 15 8.889 32.630 -6.606 1.00 0.00 C ATOM 224 C GLN A 15 10.061 33.578 -6.345 1.00 0.00 C ATOM 225 O GLN A 15 11.170 33.132 -6.057 1.00 0.00 O ATOM 226 CB GLN A 15 8.027 32.408 -5.354 1.00 0.00 C ATOM 227 CG GLN A 15 7.552 33.726 -4.733 1.00 0.00 C ATOM 228 CD GLN A 15 6.787 34.589 -5.731 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.006 34.086 -6.533 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.006 35.900 -5.683 1.00 0.00 N ATOM 0 H GLN A 15 10.344 31.155 -6.818 1.00 0.00 H new ATOM 0 HA GLN A 15 8.260 33.099 -7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.161 31.799 -5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.600 31.847 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.914 33.513 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.413 34.281 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.663 36.283 -5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.517 36.523 -6.326 1.00 0.00 H new ATOM 239 N TRP A 16 9.805 34.882 -6.445 1.00 0.00 N ATOM 240 CA TRP A 16 10.803 35.911 -6.222 1.00 0.00 C ATOM 241 C TRP A 16 10.758 36.402 -4.779 1.00 0.00 C ATOM 242 O TRP A 16 9.688 36.464 -4.173 1.00 0.00 O ATOM 243 CB TRP A 16 10.538 37.067 -7.186 1.00 0.00 C ATOM 244 CG TRP A 16 10.535 36.683 -8.632 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.516 36.077 -9.281 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.609 36.813 -9.616 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.881 35.825 -10.589 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.160 36.271 -10.853 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.907 37.357 -9.596 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.957 36.262 -12.005 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.711 37.356 -10.747 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.240 36.810 -11.947 1.00 0.00 C ATOM 0 H TRP A 16 8.885 35.251 -6.686 1.00 0.00 H new ATOM 0 HA TRP A 16 11.796 35.500 -6.402 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.575 37.514 -6.940 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.295 37.835 -7.029 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.561 35.828 -8.843 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.280 35.367 -11.274 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.291 37.782 -8.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.584 35.837 -12.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.703 37.781 -10.706 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.868 36.813 -12.826 1.00 0.00 H new ATOM 263 N ILE A 17 11.926 36.752 -4.242 1.00 0.00 N ATOM 264 CA ILE A 17 12.057 37.373 -2.931 1.00 0.00 C ATOM 265 C ILE A 17 13.006 38.558 -3.104 1.00 0.00 C ATOM 266 O ILE A 17 13.940 38.483 -3.902 1.00 0.00 O ATOM 267 CB ILE A 17 12.577 36.367 -1.889 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.094 36.156 -2.001 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.814 35.043 -1.973 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.601 35.152 -0.966 1.00 0.00 C ATOM 0 H ILE A 17 12.819 36.609 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 17 11.091 37.712 -2.557 1.00 0.00 H new ATOM 0 HB ILE A 17 12.392 36.794 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.340 35.802 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.605 37.109 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.202 34.351 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.755 35.221 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.941 34.612 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.678 35.029 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.378 35.519 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.108 34.192 -1.119 1.00 0.00 H new ATOM 282 N PRO A 18 12.794 39.659 -2.373 1.00 0.00 N ATOM 283 CA PRO A 18 13.633 40.842 -2.467 1.00 0.00 C ATOM 284 C PRO A 18 15.044 40.512 -1.989 1.00 0.00 C ATOM 285 O PRO A 18 15.226 39.632 -1.149 1.00 0.00 O ATOM 286 CB PRO A 18 12.956 41.890 -1.582 1.00 0.00 C ATOM 287 CG PRO A 18 12.202 41.039 -0.563 1.00 0.00 C ATOM 288 CD PRO A 18 11.743 39.849 -1.395 1.00 0.00 C ATOM 0 HA PRO A 18 13.735 41.210 -3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.684 42.545 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.282 42.527 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.844 40.732 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.360 41.578 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.611 38.961 -0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.785 40.048 -1.876 1.00 0.00 H new ATOM 296 N THR A 19 16.053 41.212 -2.517 1.00 0.00 N ATOM 297 CA THR A 19 17.444 40.935 -2.174 1.00 0.00 C ATOM 298 C THR A 19 17.790 41.045 -0.691 1.00 0.00 C ATOM 299 O THR A 19 18.796 40.488 -0.245 1.00 0.00 O ATOM 300 CB THR A 19 18.421 41.691 -3.079 1.00 0.00 C ATOM 301 OG1 THR A 19 17.837 41.935 -4.339 1.00 0.00 O ATOM 302 CG2 THR A 19 19.719 40.905 -3.273 1.00 0.00 C ATOM 0 H THR A 19 15.928 41.974 -3.183 1.00 0.00 H new ATOM 0 HA THR A 19 17.569 39.872 -2.378 1.00 0.00 H new ATOM 0 HB THR A 19 18.652 42.638 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.472 42.420 -4.906 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.392 41.468 -3.920 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.195 40.745 -2.306 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.496 39.942 -3.732 1.00 0.00 H new ATOM 310 N THR A 20 16.966 41.759 0.081 1.00 0.00 N ATOM 311 CA THR A 20 17.136 41.866 1.524 1.00 0.00 C ATOM 312 C THR A 20 16.697 40.615 2.286 1.00 0.00 C ATOM 313 O THR A 20 17.005 40.464 3.466 1.00 0.00 O ATOM 314 CB THR A 20 16.479 43.144 2.049 1.00 0.00 C ATOM 315 OG1 THR A 20 17.009 43.459 3.315 1.00 0.00 O ATOM 316 CG2 THR A 20 14.967 42.969 2.193 1.00 0.00 C ATOM 0 H THR A 20 16.165 42.277 -0.281 1.00 0.00 H new ATOM 0 HA THR A 20 18.207 41.938 1.715 1.00 0.00 H new ATOM 0 HB THR A 20 16.680 43.942 1.334 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.311 42.638 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.528 43.893 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.534 42.730 1.222 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.759 42.159 2.892 1.00 0.00 H new ATOM 324 N GLU A 21 15.971 39.715 1.613 1.00 0.00 N ATOM 325 CA GLU A 21 15.509 38.469 2.210 1.00 0.00 C ATOM 326 C GLU A 21 16.355 37.281 1.757 1.00 0.00 C ATOM 327 O GLU A 21 16.204 36.182 2.287 1.00 0.00 O ATOM 328 CB GLU A 21 14.037 38.239 1.878 1.00 0.00 C ATOM 329 CG GLU A 21 13.156 39.244 2.620 1.00 0.00 C ATOM 330 CD GLU A 21 11.668 39.010 2.359 1.00 0.00 C ATOM 331 OE1 GLU A 21 10.865 39.841 2.838 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.333 38.009 1.685 1.00 0.00 O ATOM 0 H GLU A 21 15.690 39.835 0.640 1.00 0.00 H new ATOM 0 HA GLU A 21 15.618 38.555 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.882 38.334 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.751 37.224 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.351 39.175 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.423 40.255 2.312 1.00 0.00 H new ATOM 339 N VAL A 22 17.250 37.483 0.782 1.00 0.00 N ATOM 340 CA VAL A 22 18.137 36.414 0.337 1.00 0.00 C ATOM 341 C VAL A 22 19.113 36.053 1.459 1.00 0.00 C ATOM 342 O VAL A 22 19.602 34.924 1.521 1.00 0.00 O ATOM 343 CB VAL A 22 18.865 36.844 -0.939 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.827 35.762 -1.415 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.849 37.119 -2.050 1.00 0.00 C ATOM 0 H VAL A 22 17.375 38.370 0.293 1.00 0.00 H new ATOM 0 HA VAL A 22 17.557 35.521 0.102 1.00 0.00 H new ATOM 0 HB VAL A 22 19.431 37.747 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.330 36.096 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.569 35.568 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.272 34.847 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.374 37.425 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.276 36.214 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.173 37.915 -1.736 1.00 0.00 H new ATOM 355 N GLY A 23 19.398 37.004 2.354 1.00 0.00 N ATOM 356 CA GLY A 23 20.252 36.762 3.508 1.00 0.00 C ATOM 357 C GLY A 23 19.547 35.900 4.554 1.00 0.00 C ATOM 358 O GLY A 23 20.195 35.380 5.458 1.00 0.00 O ATOM 0 H GLY A 23 19.042 37.958 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.169 36.269 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.541 37.714 3.954 1.00 0.00 H new ATOM 362 N LYS A 24 18.223 35.743 4.442 1.00 0.00 N ATOM 363 CA LYS A 24 17.448 34.905 5.345 1.00 0.00 C ATOM 364 C LYS A 24 17.475 33.444 4.896 1.00 0.00 C ATOM 365 O LYS A 24 16.874 32.596 5.552 1.00 0.00 O ATOM 366 CB LYS A 24 16.002 35.411 5.413 1.00 0.00 C ATOM 367 CG LYS A 24 15.898 36.898 5.774 1.00 0.00 C ATOM 368 CD LYS A 24 16.473 37.172 7.164 1.00 0.00 C ATOM 369 CE LYS A 24 16.278 38.636 7.565 1.00 0.00 C ATOM 370 NZ LYS A 24 14.845 38.977 7.661 1.00 0.00 N ATOM 0 H LYS A 24 17.664 36.197 3.719 1.00 0.00 H new ATOM 0 HA LYS A 24 17.896 34.962 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.520 35.243 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.453 34.826 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.432 37.493 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.854 37.211 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.989 36.524 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.535 36.927 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.763 38.821 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.760 39.284 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.731 39.841 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.461 39.136 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.332 38.195 8.115 1.00 0.00 H new ATOM 384 N ILE A 25 18.163 33.150 3.789 1.00 0.00 N ATOM 385 CA ILE A 25 18.256 31.797 3.248 1.00 0.00 C ATOM 386 C ILE A 25 19.714 31.395 3.034 1.00 0.00 C ATOM 387 O ILE A 25 20.065 30.231 3.213 1.00 0.00 O ATOM 388 CB ILE A 25 17.485 31.728 1.921 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.046 32.242 2.077 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.503 30.290 1.387 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.296 32.197 0.748 1.00 0.00 C ATOM 0 H ILE A 25 18.671 33.847 3.244 1.00 0.00 H new ATOM 0 HA ILE A 25 17.818 31.100 3.962 1.00 0.00 H new ATOM 0 HB ILE A 25 17.979 32.379 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.519 31.637 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.061 33.264 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.955 30.245 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.534 29.976 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.033 29.626 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.281 32.567 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.811 32.822 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.260 31.170 0.385 1.00 0.00 H new ATOM 403 N LEU A 26 20.567 32.355 2.653 1.00 0.00 N ATOM 404 CA LEU A 26 21.963 32.096 2.316 1.00 0.00 C ATOM 405 C LEU A 26 22.930 32.830 3.254 1.00 0.00 C ATOM 406 O LEU A 26 24.129 32.885 2.982 1.00 0.00 O ATOM 407 CB LEU A 26 22.218 32.508 0.861 1.00 0.00 C ATOM 408 CG LEU A 26 21.200 31.944 -0.133 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.537 32.477 -1.519 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.253 30.416 -0.160 1.00 0.00 C ATOM 0 H LEU A 26 20.301 33.336 2.571 1.00 0.00 H new ATOM 0 HA LEU A 26 22.148 31.029 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.210 33.596 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.215 32.178 0.570 1.00 0.00 H new ATOM 0 HG LEU A 26 20.198 32.249 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.822 32.086 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.488 33.566 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.543 32.161 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.520 30.039 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.250 30.092 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.026 30.026 0.832 1.00 0.00 H new ATOM 422 N GLY A 27 22.421 33.394 4.354 1.00 0.00 N ATOM 423 CA GLY A 27 23.208 34.231 5.248 1.00 0.00 C ATOM 424 C GLY A 27 24.248 33.458 6.060 1.00 0.00 C ATOM 425 O GLY A 27 25.091 34.074 6.710 1.00 0.00 O ATOM 0 H GLY A 27 21.450 33.279 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.715 34.997 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.536 34.747 5.933 1.00 0.00 H new ATOM 429 N ASN A 28 24.208 32.123 6.037 1.00 0.00 N ATOM 430 CA ASN A 28 25.156 31.304 6.779 1.00 0.00 C ATOM 431 C ASN A 28 25.284 29.929 6.130 1.00 0.00 C ATOM 432 O ASN A 28 24.610 28.984 6.542 1.00 0.00 O ATOM 433 CB ASN A 28 24.678 31.188 8.230 1.00 0.00 C ATOM 434 CG ASN A 28 25.630 30.359 9.085 1.00 0.00 C ATOM 435 OD1 ASN A 28 26.748 30.046 8.678 1.00 0.00 O ATOM 436 ND2 ASN A 28 25.188 29.993 10.285 1.00 0.00 N ATOM 0 H ASN A 28 23.521 31.588 5.506 1.00 0.00 H new ATOM 0 HA ASN A 28 26.142 31.769 6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.581 32.185 8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.687 30.735 8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 28 25.782 29.436 10.899 1.00 0.00 H new ATOM 0 HD22 ASN A 28 24.255 30.270 10.591 1.00 0.00 H new ATOM 443 N ARG A 29 26.147 29.817 5.114 1.00 0.00 N ATOM 444 CA ARG A 29 26.431 28.560 4.421 1.00 0.00 C ATOM 445 C ARG A 29 25.162 27.864 3.928 1.00 0.00 C ATOM 446 O ARG A 29 25.152 26.648 3.735 1.00 0.00 O ATOM 447 CB ARG A 29 27.279 27.648 5.311 1.00 0.00 C ATOM 448 CG ARG A 29 28.593 28.329 5.698 1.00 0.00 C ATOM 449 CD ARG A 29 29.377 27.465 6.682 1.00 0.00 C ATOM 450 NE ARG A 29 28.651 27.305 7.949 1.00 0.00 N ATOM 451 CZ ARG A 29 28.478 26.143 8.585 1.00 0.00 C ATOM 452 NH1 ARG A 29 28.978 25.009 8.096 1.00 0.00 N ATOM 453 NH2 ARG A 29 27.797 26.111 9.728 1.00 0.00 N ATOM 0 H ARG A 29 26.674 30.609 4.747 1.00 0.00 H new ATOM 0 HA ARG A 29 27.006 28.795 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.720 27.390 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.489 26.715 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.192 28.508 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.387 29.302 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.563 26.486 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.350 27.919 6.873 1.00 0.00 H new ATOM 0 HE ARG A 29 28.250 28.141 8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.503 25.018 7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 29 28.836 24.131 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 29 27.410 26.971 10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 29 27.663 25.226 10.217 1.00 0.00 H new ATOM 467 N ALA A 30 24.092 28.638 3.729 1.00 0.00 N ATOM 468 CA ALA A 30 22.780 28.136 3.355 1.00 0.00 C ATOM 469 C ALA A 30 22.258 27.065 4.319 1.00 0.00 C ATOM 470 O ALA A 30 21.399 26.268 3.954 1.00 0.00 O ATOM 471 CB ALA A 30 22.784 27.665 1.901 1.00 0.00 C ATOM 0 H ALA A 30 24.121 29.653 3.827 1.00 0.00 H new ATOM 0 HA ALA A 30 22.074 28.963 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.794 27.292 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.044 28.499 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.517 26.867 1.779 1.00 0.00 H new ATOM 477 N ALA A 31 22.769 27.041 5.555 1.00 0.00 N ATOM 478 CA ALA A 31 22.357 26.066 6.552 1.00 0.00 C ATOM 479 C ALA A 31 20.878 26.226 6.895 1.00 0.00 C ATOM 480 O ALA A 31 20.239 25.279 7.352 1.00 0.00 O ATOM 481 CB ALA A 31 23.218 26.249 7.801 1.00 0.00 C ATOM 0 H ALA A 31 23.477 27.697 5.884 1.00 0.00 H new ATOM 0 HA ALA A 31 22.494 25.061 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.920 25.524 8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.267 26.097 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 31 23.083 27.258 8.192 1.00 0.00 H new ATOM 487 N VAL A 32 20.327 27.422 6.676 1.00 0.00 N ATOM 488 CA VAL A 32 18.912 27.683 6.908 1.00 0.00 C ATOM 489 C VAL A 32 18.081 27.017 5.815 1.00 0.00 C ATOM 490 O VAL A 32 17.003 26.493 6.088 1.00 0.00 O ATOM 491 CB VAL A 32 18.666 29.197 6.914 1.00 0.00 C ATOM 492 CG1 VAL A 32 17.182 29.500 7.102 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.458 29.862 8.044 1.00 0.00 C ATOM 0 H VAL A 32 20.849 28.230 6.335 1.00 0.00 H new ATOM 0 HA VAL A 32 18.617 27.271 7.873 1.00 0.00 H new ATOM 0 HB VAL A 32 18.996 29.594 5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.028 30.579 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.613 29.054 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.843 29.084 8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.273 30.936 8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.143 29.448 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.522 29.676 7.901 1.00 0.00 H new ATOM 503 N LYS A 33 18.582 27.036 4.575 1.00 0.00 N ATOM 504 CA LYS A 33 17.895 26.416 3.453 1.00 0.00 C ATOM 505 C LYS A 33 17.923 24.901 3.601 1.00 0.00 C ATOM 506 O LYS A 33 16.937 24.222 3.326 1.00 0.00 O ATOM 507 CB LYS A 33 18.591 26.839 2.157 1.00 0.00 C ATOM 508 CG LYS A 33 17.827 26.337 0.928 1.00 0.00 C ATOM 509 CD LYS A 33 18.526 26.802 -0.351 1.00 0.00 C ATOM 510 CE LYS A 33 19.871 26.094 -0.557 1.00 0.00 C ATOM 511 NZ LYS A 33 19.690 24.657 -0.837 1.00 0.00 N ATOM 0 H LYS A 33 19.467 27.479 4.329 1.00 0.00 H new ATOM 0 HA LYS A 33 16.854 26.738 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.669 27.926 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.608 26.446 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.770 25.249 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.803 26.711 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.880 26.611 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.686 27.879 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.406 26.562 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.488 26.217 0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.618 24.213 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.216 24.203 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.108 24.540 -1.691 1.00 0.00 H new ATOM 525 N LYS A 34 19.066 24.371 4.042 1.00 0.00 N ATOM 526 CA LYS A 34 19.280 22.938 4.209 1.00 0.00 C ATOM 527 C LYS A 34 18.416 22.351 5.320 1.00 0.00 C ATOM 528 O LYS A 34 18.184 21.144 5.335 1.00 0.00 O ATOM 529 CB LYS A 34 20.767 22.691 4.480 1.00 0.00 C ATOM 530 CG LYS A 34 21.592 23.069 3.245 1.00 0.00 C ATOM 531 CD LYS A 34 23.077 23.150 3.598 1.00 0.00 C ATOM 532 CE LYS A 34 23.869 23.591 2.366 1.00 0.00 C ATOM 533 NZ LYS A 34 25.285 23.840 2.699 1.00 0.00 N ATOM 0 H LYS A 34 19.877 24.935 4.295 1.00 0.00 H new ATOM 0 HA LYS A 34 18.981 22.432 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.092 23.279 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.931 21.643 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.439 22.331 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.252 24.028 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.230 23.856 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.433 22.180 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.804 22.823 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.426 24.497 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.864 23.753 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.387 24.799 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.603 23.144 3.403 1.00 0.00 H new ATOM 547 N HIS A 35 17.928 23.181 6.252 1.00 0.00 N ATOM 548 CA HIS A 35 17.051 22.706 7.314 1.00 0.00 C ATOM 549 C HIS A 35 15.630 22.504 6.788 1.00 0.00 C ATOM 550 O HIS A 35 14.944 21.574 7.206 1.00 0.00 O ATOM 551 CB HIS A 35 17.045 23.704 8.469 1.00 0.00 C ATOM 552 CG HIS A 35 16.260 23.200 9.654 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.653 22.203 10.526 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.037 23.651 10.064 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.688 22.050 11.452 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.696 22.923 11.191 1.00 0.00 N ATOM 0 H HIS A 35 18.129 24.180 6.286 1.00 0.00 H new ATOM 0 HA HIS A 35 17.426 21.747 7.672 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.071 23.908 8.775 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.620 24.648 8.129 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.449 24.427 9.598 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.706 21.344 12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.838 23.030 11.732 1.00 0.00 H new ATOM 565 N ILE A 36 15.180 23.370 5.870 1.00 0.00 N ATOM 566 CA ILE A 36 13.839 23.266 5.306 1.00 0.00 C ATOM 567 C ILE A 36 13.763 22.051 4.380 1.00 0.00 C ATOM 568 O ILE A 36 12.699 21.456 4.224 1.00 0.00 O ATOM 569 CB ILE A 36 13.485 24.573 4.578 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.482 25.732 5.587 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.118 24.458 3.890 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.240 27.087 4.920 1.00 0.00 C ATOM 0 H ILE A 36 15.729 24.148 5.506 1.00 0.00 H new ATOM 0 HA ILE A 36 13.106 23.120 6.099 1.00 0.00 H new ATOM 0 HB ILE A 36 14.233 24.766 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.710 25.556 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.437 25.755 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.887 25.394 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.144 23.646 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.351 24.252 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.247 27.872 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.027 27.279 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.273 27.077 4.417 1.00 0.00 H new ATOM 584 N GLU A 37 14.888 21.674 3.769 1.00 0.00 N ATOM 585 CA GLU A 37 14.951 20.498 2.912 1.00 0.00 C ATOM 586 C GLU A 37 14.803 19.214 3.724 1.00 0.00 C ATOM 587 O GLU A 37 14.319 18.209 3.205 1.00 0.00 O ATOM 588 CB GLU A 37 16.283 20.494 2.167 1.00 0.00 C ATOM 589 CG GLU A 37 16.350 21.673 1.193 1.00 0.00 C ATOM 590 CD GLU A 37 17.695 21.735 0.475 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.585 20.920 0.805 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.826 22.609 -0.413 1.00 0.00 O ATOM 0 H GLU A 37 15.773 22.174 3.856 1.00 0.00 H new ATOM 0 HA GLU A 37 14.126 20.539 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.106 20.554 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.400 19.557 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.549 21.585 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.184 22.604 1.736 1.00 0.00 H new ATOM 599 N ARG A 38 15.209 19.237 4.999 1.00 0.00 N ATOM 600 CA ARG A 38 15.068 18.095 5.892 1.00 0.00 C ATOM 601 C ARG A 38 13.723 18.118 6.617 1.00 0.00 C ATOM 602 O ARG A 38 13.316 17.107 7.186 1.00 0.00 O ATOM 603 CB ARG A 38 16.225 18.093 6.896 1.00 0.00 C ATOM 604 CG ARG A 38 17.560 17.870 6.184 1.00 0.00 C ATOM 605 CD ARG A 38 18.706 17.915 7.192 1.00 0.00 C ATOM 606 NE ARG A 38 20.002 17.693 6.539 1.00 0.00 N ATOM 607 CZ ARG A 38 20.611 16.508 6.447 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.055 15.415 6.966 1.00 0.00 N ATOM 609 NH2 ARG A 38 21.785 16.410 5.829 1.00 0.00 N ATOM 0 H ARG A 38 15.644 20.050 5.435 1.00 0.00 H new ATOM 0 HA ARG A 38 15.100 17.181 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.248 19.041 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.068 17.310 7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.552 16.907 5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.706 18.634 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.712 18.881 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.548 17.156 7.959 1.00 0.00 H new ATOM 0 HE ARG A 38 20.470 18.500 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.154 15.477 7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.530 14.516 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.220 17.240 5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.250 15.505 5.759 1.00 0.00 H new ATOM 623 N GLN A 39 13.036 19.262 6.593 1.00 0.00 N ATOM 624 CA GLN A 39 11.739 19.417 7.228 1.00 0.00 C ATOM 625 C GLN A 39 10.627 18.845 6.353 1.00 0.00 C ATOM 626 O GLN A 39 9.607 18.390 6.867 1.00 0.00 O ATOM 627 CB GLN A 39 11.515 20.909 7.490 1.00 0.00 C ATOM 628 CG GLN A 39 10.102 21.216 7.989 1.00 0.00 C ATOM 629 CD GLN A 39 9.748 20.485 9.279 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.617 20.152 10.082 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.458 20.228 9.484 1.00 0.00 N ATOM 0 H GLN A 39 13.371 20.106 6.129 1.00 0.00 H new ATOM 0 HA GLN A 39 11.719 18.865 8.168 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.239 21.257 8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.701 21.467 6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.006 22.290 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.384 20.944 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.764 20.519 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.163 19.740 10.330 1.00 0.00 H new ATOM 640 N PHE A 40 10.820 18.869 5.031 1.00 0.00 N ATOM 641 CA PHE A 40 9.817 18.422 4.077 1.00 0.00 C ATOM 642 C PHE A 40 10.342 17.439 3.033 1.00 0.00 C ATOM 643 O PHE A 40 9.635 17.114 2.079 1.00 0.00 O ATOM 644 CB PHE A 40 9.120 19.631 3.445 1.00 0.00 C ATOM 645 CG PHE A 40 8.324 20.464 4.423 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.631 21.825 4.577 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.290 19.894 5.181 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.907 22.614 5.481 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.568 20.681 6.090 1.00 0.00 C ATOM 650 CZ PHE A 40 6.880 22.041 6.241 1.00 0.00 C ATOM 0 H PHE A 40 11.681 19.201 4.597 1.00 0.00 H new ATOM 0 HA PHE A 40 9.081 17.846 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.871 20.264 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.454 19.282 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.428 22.266 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.050 18.848 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.141 23.663 5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.773 20.241 6.673 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.327 22.646 6.944 1.00 0.00 H new ATOM 660 N ASN A 41 11.579 16.966 3.212 1.00 0.00 N ATOM 661 CA ASN A 41 12.258 16.065 2.287 1.00 0.00 C ATOM 662 C ASN A 41 12.356 16.636 0.867 1.00 0.00 C ATOM 663 O ASN A 41 12.629 15.906 -0.084 1.00 0.00 O ATOM 664 CB ASN A 41 11.620 14.672 2.323 1.00 0.00 C ATOM 665 CG ASN A 41 11.679 14.052 3.713 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.469 14.461 4.561 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.841 13.049 3.960 1.00 0.00 N ATOM 0 H ASN A 41 12.146 17.207 4.025 1.00 0.00 H new ATOM 0 HA ASN A 41 13.289 15.963 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.581 14.741 2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.131 14.021 1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.842 12.597 4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.197 12.732 3.235 1.00 0.00 H new ATOM 674 N CYS A 42 12.130 17.947 0.727 1.00 0.00 N ATOM 675 CA CYS A 42 12.194 18.646 -0.544 1.00 0.00 C ATOM 676 C CYS A 42 13.619 19.141 -0.801 1.00 0.00 C ATOM 677 O CYS A 42 14.532 18.878 -0.019 1.00 0.00 O ATOM 678 CB CYS A 42 11.214 19.822 -0.493 1.00 0.00 C ATOM 679 SG CYS A 42 11.747 20.992 0.782 1.00 0.00 S ATOM 0 H CYS A 42 11.894 18.555 1.512 1.00 0.00 H new ATOM 0 HA CYS A 42 11.922 17.975 -1.359 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.172 20.318 -1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.208 19.463 -0.275 1.00 0.00 H new ATOM 0 HG CYS A 42 11.778 22.192 0.284 1.00 0.00 H new ATOM 685 N VAL A 43 13.800 19.869 -1.903 1.00 0.00 N ATOM 686 CA VAL A 43 15.056 20.514 -2.249 1.00 0.00 C ATOM 687 C VAL A 43 14.759 21.960 -2.638 1.00 0.00 C ATOM 688 O VAL A 43 13.697 22.238 -3.192 1.00 0.00 O ATOM 689 CB VAL A 43 15.751 19.752 -3.384 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.049 20.449 -3.798 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.089 18.326 -2.944 1.00 0.00 C ATOM 0 H VAL A 43 13.062 20.027 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 43 15.737 20.507 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 43 15.063 19.729 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.522 19.888 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.826 21.459 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.725 20.496 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.582 17.800 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.754 18.359 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.172 17.801 -2.675 1.00 0.00 H new ATOM 701 N ILE A 44 15.683 22.882 -2.353 1.00 0.00 N ATOM 702 CA ILE A 44 15.500 24.293 -2.664 1.00 0.00 C ATOM 703 C ILE A 44 16.748 24.837 -3.354 1.00 0.00 C ATOM 704 O ILE A 44 17.870 24.478 -2.992 1.00 0.00 O ATOM 705 CB ILE A 44 15.159 25.077 -1.385 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.873 24.522 -0.753 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.001 26.573 -1.702 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.505 25.253 0.538 1.00 0.00 C ATOM 0 H ILE A 44 16.573 22.668 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 44 14.663 24.412 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 44 15.976 24.961 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.053 24.610 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.001 23.460 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.760 27.115 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.933 26.957 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.198 26.709 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.590 24.827 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.313 25.143 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.349 26.311 0.326 1.00 0.00 H new ATOM 720 N THR A 45 16.549 25.707 -4.348 1.00 0.00 N ATOM 721 CA THR A 45 17.636 26.288 -5.121 1.00 0.00 C ATOM 722 C THR A 45 17.481 27.774 -5.408 1.00 0.00 C ATOM 723 O THR A 45 16.694 28.165 -6.267 1.00 0.00 O ATOM 724 CB THR A 45 17.906 25.491 -6.404 1.00 0.00 C ATOM 725 OG1 THR A 45 17.713 24.107 -6.195 1.00 0.00 O ATOM 726 CG2 THR A 45 19.322 25.753 -6.908 1.00 0.00 C ATOM 0 H THR A 45 15.624 26.026 -4.636 1.00 0.00 H new ATOM 0 HA THR A 45 18.513 26.212 -4.478 1.00 0.00 H new ATOM 0 HB THR A 45 17.195 25.824 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.890 23.623 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.496 25.180 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.442 26.815 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.041 25.451 -6.146 1.00 0.00 H new ATOM 734 N VAL A 46 18.232 28.608 -4.689 1.00 0.00 N ATOM 735 CA VAL A 46 18.258 30.040 -4.943 1.00 0.00 C ATOM 736 C VAL A 46 19.076 30.351 -6.191 1.00 0.00 C ATOM 737 O VAL A 46 20.050 29.657 -6.481 1.00 0.00 O ATOM 738 CB VAL A 46 18.746 30.819 -3.717 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.481 32.314 -3.896 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.027 30.345 -2.452 1.00 0.00 C ATOM 0 H VAL A 46 18.833 28.309 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 46 17.237 30.372 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 46 19.817 30.641 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.833 32.854 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.009 32.674 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.411 32.482 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.389 30.911 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.954 30.501 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.225 29.285 -2.296 1.00 0.00 H new ATOM 750 N HIS A 47 18.685 31.390 -6.933 1.00 0.00 N ATOM 751 CA HIS A 47 19.339 31.766 -8.177 1.00 0.00 C ATOM 752 C HIS A 47 19.746 33.235 -8.158 1.00 0.00 C ATOM 753 O HIS A 47 19.237 34.037 -8.938 1.00 0.00 O ATOM 754 CB HIS A 47 18.420 31.418 -9.351 1.00 0.00 C ATOM 755 CG HIS A 47 18.342 29.937 -9.624 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.319 29.168 -10.231 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.281 29.120 -9.346 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.856 27.903 -10.316 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.618 27.854 -9.788 1.00 0.00 N ATOM 0 H HIS A 47 17.902 31.993 -6.682 1.00 0.00 H new ATOM 0 HA HIS A 47 20.264 31.201 -8.296 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.419 31.796 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.776 31.928 -10.246 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.228 29.498 -10.556 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.355 29.409 -8.871 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.391 27.066 -10.739 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.029 27.024 -9.725 1.00 0.00 H new ATOM 768 N THR A 48 20.668 33.594 -7.261 1.00 0.00 N ATOM 769 CA THR A 48 21.211 34.950 -7.184 1.00 0.00 C ATOM 770 C THR A 48 21.941 35.408 -8.443 1.00 0.00 C ATOM 771 O THR A 48 22.283 36.585 -8.574 1.00 0.00 O ATOM 772 CB THR A 48 22.035 35.177 -5.907 1.00 0.00 C ATOM 773 OG1 THR A 48 23.383 34.832 -6.148 1.00 0.00 O ATOM 774 CG2 THR A 48 21.523 34.353 -4.730 1.00 0.00 C ATOM 0 H THR A 48 21.058 32.953 -6.570 1.00 0.00 H new ATOM 0 HA THR A 48 20.338 35.600 -7.121 1.00 0.00 H new ATOM 0 HB THR A 48 21.942 36.231 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.909 34.978 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.139 34.550 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.490 34.627 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.574 33.293 -4.979 1.00 0.00 H new ATOM 782 N GLU A 49 22.174 34.477 -9.374 1.00 0.00 N ATOM 783 CA GLU A 49 22.717 34.770 -10.690 1.00 0.00 C ATOM 784 C GLU A 49 21.693 35.534 -11.534 1.00 0.00 C ATOM 785 O GLU A 49 22.024 36.020 -12.615 1.00 0.00 O ATOM 786 CB GLU A 49 23.110 33.447 -11.358 1.00 0.00 C ATOM 787 CG GLU A 49 21.901 32.517 -11.507 1.00 0.00 C ATOM 788 CD GLU A 49 22.310 31.087 -11.844 1.00 0.00 C ATOM 789 OE1 GLU A 49 21.429 30.210 -11.719 1.00 0.00 O ATOM 790 OE2 GLU A 49 23.485 30.874 -12.219 1.00 0.00 O ATOM 0 H GLU A 49 21.985 33.486 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 49 23.599 35.404 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.541 33.647 -12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.880 32.953 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.327 32.520 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.245 32.899 -12.289 1.00 0.00 H new ATOM 797 N VAL A 50 20.454 35.637 -11.040 1.00 0.00 N ATOM 798 CA VAL A 50 19.380 36.392 -11.667 1.00 0.00 C ATOM 799 C VAL A 50 19.050 37.641 -10.859 1.00 0.00 C ATOM 800 O VAL A 50 19.177 37.640 -9.638 1.00 0.00 O ATOM 801 CB VAL A 50 18.133 35.516 -11.852 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.080 36.224 -12.706 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.488 34.173 -12.490 1.00 0.00 C ATOM 0 H VAL A 50 20.170 35.184 -10.171 1.00 0.00 H new ATOM 0 HA VAL A 50 19.721 36.708 -12.653 1.00 0.00 H new ATOM 0 HB VAL A 50 17.720 35.336 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.209 35.578 -12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.782 37.153 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.497 36.446 -13.688 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.584 33.576 -12.608 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.941 34.343 -13.467 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.193 33.642 -11.851 1.00 0.00 H new ATOM 813 N GLN A 51 18.621 38.701 -11.545 1.00 0.00 N ATOM 814 CA GLN A 51 18.206 39.943 -10.911 1.00 0.00 C ATOM 815 C GLN A 51 17.027 40.520 -11.682 1.00 0.00 C ATOM 816 O GLN A 51 17.133 40.775 -12.883 1.00 0.00 O ATOM 817 CB GLN A 51 19.367 40.941 -10.866 1.00 0.00 C ATOM 818 CG GLN A 51 20.548 40.406 -10.050 1.00 0.00 C ATOM 819 CD GLN A 51 21.688 41.410 -9.963 1.00 0.00 C ATOM 820 OE1 GLN A 51 21.610 42.514 -10.503 1.00 0.00 O ATOM 821 NE2 GLN A 51 22.767 41.037 -9.280 1.00 0.00 N ATOM 0 H GLN A 51 18.553 38.717 -12.563 1.00 0.00 H new ATOM 0 HA GLN A 51 17.903 39.744 -9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.697 41.160 -11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.022 41.880 -10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.209 40.156 -9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.912 39.484 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.801 40.116 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.560 41.672 -9.192 1.00 0.00 H new ATOM 830 N SER A 52 15.905 40.727 -10.994 1.00 0.00 N ATOM 831 CA SER A 52 14.704 41.282 -11.598 1.00 0.00 C ATOM 832 C SER A 52 14.836 42.790 -11.788 1.00 0.00 C ATOM 833 O SER A 52 15.783 43.414 -11.308 1.00 0.00 O ATOM 834 CB SER A 52 13.510 40.988 -10.695 1.00 0.00 C ATOM 835 OG SER A 52 13.621 41.737 -9.505 1.00 0.00 O ATOM 0 H SER A 52 15.807 40.513 -10.001 1.00 0.00 H new ATOM 0 HA SER A 52 14.560 40.823 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.582 41.239 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.469 39.924 -10.464 1.00 0.00 H new ATOM 0 HG SER A 52 12.765 41.721 -9.028 1.00 0.00 H new ATOM 841 N SER A 53 13.869 43.375 -12.496 1.00 0.00 N ATOM 842 CA SER A 53 13.780 44.817 -12.680 1.00 0.00 C ATOM 843 C SER A 53 13.204 45.484 -11.431 1.00 0.00 C ATOM 844 O SER A 53 12.940 46.687 -11.434 1.00 0.00 O ATOM 845 CB SER A 53 12.912 45.117 -13.905 1.00 0.00 C ATOM 846 OG SER A 53 11.599 44.641 -13.696 1.00 0.00 O ATOM 0 H SER A 53 13.123 42.855 -12.959 1.00 0.00 H new ATOM 0 HA SER A 53 14.779 45.222 -12.842 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.893 46.191 -14.093 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.342 44.646 -14.789 1.00 0.00 H new ATOM 0 HG SER A 53 11.050 44.838 -14.484 1.00 0.00 H new ATOM 852 N PHE A 54 13.006 44.705 -10.359 1.00 0.00 N ATOM 853 CA PHE A 54 12.422 45.169 -9.110 1.00 0.00 C ATOM 854 C PHE A 54 13.234 44.934 -7.832 1.00 0.00 C ATOM 855 O PHE A 54 12.728 45.129 -6.728 1.00 0.00 O ATOM 856 CB PHE A 54 10.936 44.821 -9.003 1.00 0.00 C ATOM 857 CG PHE A 54 10.582 43.436 -9.505 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.779 42.321 -8.680 1.00 0.00 C ATOM 859 CD2 PHE A 54 10.052 43.267 -10.793 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.440 41.040 -9.135 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.717 41.984 -11.249 1.00 0.00 C ATOM 862 CZ PHE A 54 9.913 40.869 -10.422 1.00 0.00 C ATOM 0 H PHE A 54 13.255 43.716 -10.344 1.00 0.00 H new ATOM 0 HA PHE A 54 12.484 46.255 -9.181 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.629 44.906 -7.961 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.361 45.557 -9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.193 42.449 -7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.902 44.124 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.585 40.184 -8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.307 41.854 -12.240 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.658 39.881 -10.776 1.00 0.00 H new ATOM 872 N GLY A 55 14.492 44.515 -7.979 1.00 0.00 N ATOM 873 CA GLY A 55 15.382 44.323 -6.842 1.00 0.00 C ATOM 874 C GLY A 55 15.080 43.023 -6.101 1.00 0.00 C ATOM 875 O GLY A 55 15.071 43.005 -4.871 1.00 0.00 O ATOM 0 H GLY A 55 14.916 44.302 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.416 44.313 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.283 45.164 -6.156 1.00 0.00 H new ATOM 879 N ALA A 56 14.828 41.939 -6.843 1.00 0.00 N ATOM 880 CA ALA A 56 14.542 40.637 -6.262 1.00 0.00 C ATOM 881 C ALA A 56 15.336 39.523 -6.946 1.00 0.00 C ATOM 882 O ALA A 56 15.925 39.721 -8.008 1.00 0.00 O ATOM 883 CB ALA A 56 13.037 40.378 -6.343 1.00 0.00 C ATOM 0 H ALA A 56 14.818 41.947 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 56 14.854 40.640 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.812 39.404 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.504 41.152 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.721 40.393 -7.386 1.00 0.00 H new ATOM 889 N THR A 57 15.338 38.346 -6.314 1.00 0.00 N ATOM 890 CA THR A 57 16.071 37.171 -6.758 1.00 0.00 C ATOM 891 C THR A 57 15.084 36.008 -6.654 1.00 0.00 C ATOM 892 O THR A 57 14.393 35.875 -5.643 1.00 0.00 O ATOM 893 CB THR A 57 17.247 36.951 -5.803 1.00 0.00 C ATOM 894 OG1 THR A 57 18.308 37.814 -6.156 1.00 0.00 O ATOM 895 CG2 THR A 57 17.756 35.513 -5.852 1.00 0.00 C ATOM 0 H THR A 57 14.812 38.186 -5.455 1.00 0.00 H new ATOM 0 HA THR A 57 16.459 37.269 -7.772 1.00 0.00 H new ATOM 0 HB THR A 57 16.894 37.160 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.060 37.675 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.590 35.399 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.953 34.833 -5.568 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.089 35.279 -6.863 1.00 0.00 H new ATOM 903 N PRO A 58 15.001 35.161 -7.688 1.00 0.00 N ATOM 904 CA PRO A 58 14.124 34.008 -7.716 1.00 0.00 C ATOM 905 C PRO A 58 14.725 32.824 -6.957 1.00 0.00 C ATOM 906 O PRO A 58 15.931 32.773 -6.708 1.00 0.00 O ATOM 907 CB PRO A 58 13.956 33.689 -9.197 1.00 0.00 C ATOM 908 CG PRO A 58 15.315 34.076 -9.777 1.00 0.00 C ATOM 909 CD PRO A 58 15.747 35.271 -8.926 1.00 0.00 C ATOM 0 HA PRO A 58 13.171 34.209 -7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.730 32.635 -9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.145 34.263 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.029 33.255 -9.706 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.239 34.342 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.821 35.251 -8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.529 36.211 -9.432 1.00 0.00 H new ATOM 917 N VAL A 59 13.872 31.865 -6.594 1.00 0.00 N ATOM 918 CA VAL A 59 14.283 30.632 -5.936 1.00 0.00 C ATOM 919 C VAL A 59 13.331 29.519 -6.373 1.00 0.00 C ATOM 920 O VAL A 59 12.132 29.741 -6.531 1.00 0.00 O ATOM 921 CB VAL A 59 14.276 30.807 -4.409 1.00 0.00 C ATOM 922 CG1 VAL A 59 12.964 31.403 -3.895 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.500 29.471 -3.699 1.00 0.00 C ATOM 0 H VAL A 59 12.866 31.927 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 59 15.302 30.372 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 59 15.091 31.496 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.011 31.506 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.808 32.383 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.137 30.745 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.490 29.626 -2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.706 28.776 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.463 29.058 -3.997 1.00 0.00 H new ATOM 933 N GLU A 60 13.880 28.319 -6.566 1.00 0.00 N ATOM 934 CA GLU A 60 13.135 27.137 -6.973 1.00 0.00 C ATOM 935 C GLU A 60 12.973 26.156 -5.819 1.00 0.00 C ATOM 936 O GLU A 60 13.741 26.179 -4.859 1.00 0.00 O ATOM 937 CB GLU A 60 13.846 26.453 -8.145 1.00 0.00 C ATOM 938 CG GLU A 60 13.554 27.172 -9.465 1.00 0.00 C ATOM 939 CD GLU A 60 14.487 26.712 -10.588 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.178 27.036 -11.757 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.502 26.048 -10.285 1.00 0.00 O ATOM 0 H GLU A 60 14.877 28.143 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 60 12.140 27.455 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.921 26.441 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.522 25.414 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.519 26.990 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.660 28.247 -9.323 1.00 0.00 H new ATOM 948 N ILE A 61 11.963 25.292 -5.925 1.00 0.00 N ATOM 949 CA ILE A 61 11.704 24.232 -4.964 1.00 0.00 C ATOM 950 C ILE A 61 11.383 22.959 -5.741 1.00 0.00 C ATOM 951 O ILE A 61 10.794 23.035 -6.817 1.00 0.00 O ATOM 952 CB ILE A 61 10.551 24.621 -4.032 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.807 25.999 -3.409 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.344 23.550 -2.957 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.658 26.446 -2.510 1.00 0.00 C ATOM 0 H ILE A 61 11.294 25.314 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 61 12.580 24.066 -4.336 1.00 0.00 H new ATOM 0 HB ILE A 61 9.634 24.685 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.729 25.968 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.953 26.733 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.521 23.843 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.108 22.598 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.255 23.445 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.884 27.427 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.740 26.504 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.528 25.727 -1.701 1.00 0.00 H new ATOM 967 N VAL A 62 11.769 21.799 -5.201 1.00 0.00 N ATOM 968 CA VAL A 62 11.565 20.511 -5.847 1.00 0.00 C ATOM 969 C VAL A 62 11.163 19.430 -4.850 1.00 0.00 C ATOM 970 O VAL A 62 11.692 19.381 -3.742 1.00 0.00 O ATOM 971 CB VAL A 62 12.813 20.094 -6.639 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.510 18.889 -7.524 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.328 21.234 -7.521 1.00 0.00 C ATOM 0 H VAL A 62 12.235 21.733 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 62 10.737 20.626 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 62 13.581 19.836 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.407 18.609 -8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.191 18.052 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.716 19.144 -8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.212 20.902 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.552 21.525 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.587 22.089 -6.896 1.00 0.00 H new ATOM 983 N ALA A 63 10.229 18.563 -5.244 1.00 0.00 N ATOM 984 CA ALA A 63 9.774 17.462 -4.414 1.00 0.00 C ATOM 985 C ALA A 63 9.085 16.397 -5.267 1.00 0.00 C ATOM 986 O ALA A 63 8.781 16.626 -6.437 1.00 0.00 O ATOM 987 CB ALA A 63 8.806 17.995 -3.354 1.00 0.00 C ATOM 0 H ALA A 63 9.769 18.611 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 63 10.634 17.004 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.462 17.171 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.315 18.733 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.951 18.461 -3.844 1.00 0.00 H new ATOM 993 N GLN A 64 8.838 15.225 -4.675 1.00 0.00 N ATOM 994 CA GLN A 64 8.177 14.122 -5.357 1.00 0.00 C ATOM 995 C GLN A 64 6.684 14.408 -5.564 1.00 0.00 C ATOM 996 O GLN A 64 6.042 13.772 -6.401 1.00 0.00 O ATOM 997 CB GLN A 64 8.401 12.843 -4.536 1.00 0.00 C ATOM 998 CG GLN A 64 7.679 11.640 -5.146 1.00 0.00 C ATOM 999 CD GLN A 64 8.109 10.321 -4.513 1.00 0.00 C ATOM 1000 OE1 GLN A 64 8.973 10.282 -3.641 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.502 9.219 -4.944 1.00 0.00 N ATOM 0 H GLN A 64 9.093 15.020 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 64 8.605 13.994 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.469 12.633 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.048 12.999 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.603 11.765 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.876 11.607 -6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.788 9.281 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.751 8.312 -4.549 1.00 0.00 H new ATOM 1010 N ASN A 65 6.126 15.362 -4.810 1.00 0.00 N ATOM 1011 CA ASN A 65 4.713 15.695 -4.882 1.00 0.00 C ATOM 1012 C ASN A 65 4.459 17.130 -4.417 1.00 0.00 C ATOM 1013 O ASN A 65 5.313 17.744 -3.778 1.00 0.00 O ATOM 1014 CB ASN A 65 3.913 14.695 -4.038 1.00 0.00 C ATOM 1015 CG ASN A 65 4.447 14.585 -2.615 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.682 15.590 -1.956 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.645 13.365 -2.126 1.00 0.00 N ATOM 0 H ASN A 65 6.648 15.921 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 65 4.386 15.630 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.867 15.001 -4.009 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.945 13.714 -4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.002 13.247 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.440 12.546 -2.699 1.00 0.00 H new ATOM 1024 N LYS A 66 3.279 17.666 -4.737 1.00 0.00 N ATOM 1025 CA LYS A 66 2.891 19.006 -4.306 1.00 0.00 C ATOM 1026 C LYS A 66 2.563 19.036 -2.814 1.00 0.00 C ATOM 1027 O LYS A 66 2.522 20.110 -2.214 1.00 0.00 O ATOM 1028 CB LYS A 66 1.687 19.485 -5.122 1.00 0.00 C ATOM 1029 CG LYS A 66 2.051 19.621 -6.601 1.00 0.00 C ATOM 1030 CD LYS A 66 0.840 20.119 -7.390 1.00 0.00 C ATOM 1031 CE LYS A 66 1.210 20.268 -8.868 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.061 20.741 -9.661 1.00 0.00 N ATOM 0 H LYS A 66 2.573 17.187 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 66 3.733 19.677 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.863 18.781 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.341 20.445 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.883 20.316 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.381 18.659 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.011 19.419 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.503 21.076 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.038 20.969 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.554 19.310 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.342 20.833 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.720 20.058 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.251 21.666 -9.303 1.00 0.00 H new ATOM 1046 N GLU A 67 2.331 17.866 -2.213 1.00 0.00 N ATOM 1047 CA GLU A 67 1.994 17.748 -0.801 1.00 0.00 C ATOM 1048 C GLU A 67 3.198 18.057 0.091 1.00 0.00 C ATOM 1049 O GLU A 67 3.058 18.105 1.311 1.00 0.00 O ATOM 1050 CB GLU A 67 1.471 16.337 -0.516 1.00 0.00 C ATOM 1051 CG GLU A 67 0.225 16.045 -1.357 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.412 14.699 -1.003 1.00 0.00 C ATOM 1053 OE1 GLU A 67 0.176 13.959 -0.181 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.497 14.416 -1.561 1.00 0.00 O ATOM 0 H GLU A 67 2.373 16.971 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 67 1.219 18.479 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.246 15.604 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.233 16.238 0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.505 16.840 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.493 16.051 -2.414 1.00 0.00 H new ATOM 1061 N GLN A 68 4.374 18.267 -0.511 1.00 0.00 N ATOM 1062 CA GLN A 68 5.584 18.620 0.218 1.00 0.00 C ATOM 1063 C GLN A 68 6.285 19.823 -0.416 1.00 0.00 C ATOM 1064 O GLN A 68 7.052 20.509 0.258 1.00 0.00 O ATOM 1065 CB GLN A 68 6.529 17.414 0.246 1.00 0.00 C ATOM 1066 CG GLN A 68 5.903 16.223 0.980 1.00 0.00 C ATOM 1067 CD GLN A 68 6.704 14.944 0.761 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.132 13.884 0.521 1.00 0.00 O ATOM 1069 NE2 GLN A 68 8.032 15.023 0.838 1.00 0.00 N ATOM 0 H GLN A 68 4.507 18.195 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 68 5.307 18.896 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.778 17.123 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.462 17.694 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.848 16.440 2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.881 16.077 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.479 15.918 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.602 14.189 0.696 1.00 0.00 H new ATOM 1078 N CYS A 69 6.029 20.092 -1.703 1.00 0.00 N ATOM 1079 CA CYS A 69 6.643 21.226 -2.373 1.00 0.00 C ATOM 1080 C CYS A 69 5.964 22.516 -1.904 1.00 0.00 C ATOM 1081 O CYS A 69 6.625 23.543 -1.742 1.00 0.00 O ATOM 1082 CB CYS A 69 6.460 21.047 -3.881 1.00 0.00 C ATOM 1083 SG CYS A 69 7.567 22.179 -4.762 1.00 0.00 S ATOM 0 H CYS A 69 5.404 19.539 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 69 7.706 21.285 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.675 20.017 -4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.425 21.244 -4.159 1.00 0.00 H new ATOM 0 HG CYS A 69 7.414 22.026 -6.044 1.00 0.00 H new ATOM 1089 N GLN A 70 4.647 22.468 -1.681 1.00 0.00 N ATOM 1090 CA GLN A 70 3.892 23.625 -1.217 1.00 0.00 C ATOM 1091 C GLN A 70 4.204 23.943 0.241 1.00 0.00 C ATOM 1092 O GLN A 70 4.120 25.098 0.655 1.00 0.00 O ATOM 1093 CB GLN A 70 2.394 23.355 -1.356 1.00 0.00 C ATOM 1094 CG GLN A 70 1.967 23.191 -2.818 1.00 0.00 C ATOM 1095 CD GLN A 70 1.989 24.505 -3.592 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.252 25.571 -3.041 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.710 24.437 -4.890 1.00 0.00 N ATOM 0 H GLN A 70 4.082 21.630 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 70 4.180 24.479 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.136 22.453 -0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.836 24.176 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.629 22.476 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.962 22.771 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.495 23.537 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.711 25.285 -5.457 1.00 0.00 H new ATOM 1106 N GLU A 71 4.567 22.931 1.029 1.00 0.00 N ATOM 1107 CA GLU A 71 4.866 23.139 2.435 1.00 0.00 C ATOM 1108 C GLU A 71 6.192 23.879 2.588 1.00 0.00 C ATOM 1109 O GLU A 71 6.365 24.647 3.532 1.00 0.00 O ATOM 1110 CB GLU A 71 4.924 21.782 3.146 1.00 0.00 C ATOM 1111 CG GLU A 71 3.626 20.985 2.982 1.00 0.00 C ATOM 1112 CD GLU A 71 2.414 21.668 3.618 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.283 21.213 3.329 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.612 22.636 4.386 1.00 0.00 O ATOM 0 H GLU A 71 4.659 21.965 0.714 1.00 0.00 H new ATOM 0 HA GLU A 71 4.082 23.747 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.757 21.202 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.121 21.938 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.433 20.832 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.754 19.999 3.428 1.00 0.00 H new ATOM 1121 N ALA A 72 7.127 23.651 1.661 1.00 0.00 N ATOM 1122 CA ALA A 72 8.406 24.341 1.662 1.00 0.00 C ATOM 1123 C ALA A 72 8.261 25.741 1.075 1.00 0.00 C ATOM 1124 O ALA A 72 9.036 26.636 1.407 1.00 0.00 O ATOM 1125 CB ALA A 72 9.401 23.514 0.854 1.00 0.00 C ATOM 0 H ALA A 72 7.013 22.986 0.896 1.00 0.00 H new ATOM 0 HA ALA A 72 8.767 24.452 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.368 24.017 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.509 22.529 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.038 23.404 -0.168 1.00 0.00 H new ATOM 1131 N ARG A 73 7.267 25.942 0.199 1.00 0.00 N ATOM 1132 CA ARG A 73 6.990 27.240 -0.394 1.00 0.00 C ATOM 1133 C ARG A 73 6.418 28.188 0.651 1.00 0.00 C ATOM 1134 O ARG A 73 6.918 29.295 0.830 1.00 0.00 O ATOM 1135 CB ARG A 73 6.017 27.060 -1.563 1.00 0.00 C ATOM 1136 CG ARG A 73 5.351 28.369 -1.995 1.00 0.00 C ATOM 1137 CD ARG A 73 6.374 29.433 -2.396 1.00 0.00 C ATOM 1138 NE ARG A 73 5.711 30.713 -2.686 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.049 30.968 -3.815 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.957 30.033 -4.753 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.480 32.156 -4.007 1.00 0.00 N ATOM 0 H ARG A 73 6.637 25.203 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 73 7.916 27.678 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.552 26.634 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.246 26.343 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.683 28.175 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.736 28.748 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.099 29.568 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.928 29.099 -3.273 1.00 0.00 H new ATOM 0 HE ARG A 73 5.760 31.449 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.392 29.122 -4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.451 30.226 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.549 32.877 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.975 32.346 -4.873 1.00 0.00 H new ATOM 1155 N ASN A 74 5.368 27.752 1.343 1.00 0.00 N ATOM 1156 CA ASN A 74 4.691 28.564 2.341 1.00 0.00 C ATOM 1157 C ASN A 74 5.562 28.802 3.573 1.00 0.00 C ATOM 1158 O ASN A 74 5.248 29.670 4.383 1.00 0.00 O ATOM 1159 CB ASN A 74 3.362 27.899 2.704 1.00 0.00 C ATOM 1160 CG ASN A 74 2.337 28.079 1.594 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.774 29.157 1.426 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.088 27.026 0.824 1.00 0.00 N ATOM 0 H ASN A 74 4.965 26.823 1.224 1.00 0.00 H new ATOM 0 HA ASN A 74 4.494 29.550 1.920 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.522 26.836 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.979 28.327 3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.411 27.098 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.574 26.145 0.992 1.00 0.00 H new ATOM 1169 N ALA A 75 6.653 28.047 3.729 1.00 0.00 N ATOM 1170 CA ALA A 75 7.558 28.224 4.852 1.00 0.00 C ATOM 1171 C ALA A 75 8.493 29.411 4.619 1.00 0.00 C ATOM 1172 O ALA A 75 8.800 30.150 5.550 1.00 0.00 O ATOM 1173 CB ALA A 75 8.366 26.943 5.037 1.00 0.00 C ATOM 0 H ALA A 75 6.926 27.305 3.084 1.00 0.00 H new ATOM 0 HA ALA A 75 6.978 28.431 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.050 27.062 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.690 26.112 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.937 26.739 4.131 1.00 0.00 H new ATOM 1179 N VAL A 76 8.950 29.604 3.379 1.00 0.00 N ATOM 1180 CA VAL A 76 9.897 30.665 3.038 1.00 0.00 C ATOM 1181 C VAL A 76 9.169 31.995 2.830 1.00 0.00 C ATOM 1182 O VAL A 76 9.796 33.030 2.622 1.00 0.00 O ATOM 1183 CB VAL A 76 10.715 30.242 1.808 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.782 31.268 1.425 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.427 28.919 2.091 1.00 0.00 C ATOM 0 H VAL A 76 8.673 29.028 2.584 1.00 0.00 H new ATOM 0 HA VAL A 76 10.591 30.820 3.864 1.00 0.00 H new ATOM 0 HB VAL A 76 10.007 30.151 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.328 30.916 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.305 32.221 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.475 31.400 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.006 28.623 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.095 29.040 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.689 28.149 2.315 1.00 0.00 H new ATOM 1195 N MET A 77 7.835 31.978 2.885 1.00 0.00 N ATOM 1196 CA MET A 77 7.035 33.172 2.648 1.00 0.00 C ATOM 1197 C MET A 77 6.559 33.818 3.948 1.00 0.00 C ATOM 1198 O MET A 77 5.918 34.866 3.904 1.00 0.00 O ATOM 1199 CB MET A 77 5.874 32.814 1.723 1.00 0.00 C ATOM 1200 CG MET A 77 6.431 32.367 0.372 1.00 0.00 C ATOM 1201 SD MET A 77 7.177 33.710 -0.594 1.00 0.00 S ATOM 1202 CE MET A 77 8.378 32.759 -1.556 1.00 0.00 C ATOM 0 H MET A 77 7.288 31.143 3.093 1.00 0.00 H new ATOM 0 HA MET A 77 7.657 33.924 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.273 32.018 2.164 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.218 33.674 1.593 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.179 31.592 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.628 31.916 -0.210 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.050 33.442 -2.077 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.956 32.121 -0.888 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.853 32.141 -2.284 1.00 0.00 H new ATOM 1212 N SER A 78 6.866 33.209 5.101 1.00 0.00 N ATOM 1213 CA SER A 78 6.467 33.755 6.394 1.00 0.00 C ATOM 1214 C SER A 78 7.427 33.409 7.526 1.00 0.00 C ATOM 1215 O SER A 78 7.489 34.150 8.504 1.00 0.00 O ATOM 1216 CB SER A 78 5.072 33.235 6.758 1.00 0.00 C ATOM 1217 OG SER A 78 4.088 33.831 5.937 1.00 0.00 O ATOM 0 H SER A 78 7.391 32.336 5.159 1.00 0.00 H new ATOM 0 HA SER A 78 6.475 34.840 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.041 32.151 6.644 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.859 33.451 7.805 1.00 0.00 H new ATOM 0 HG SER A 78 4.523 34.373 5.246 1.00 0.00 H new ATOM 1223 N LEU A 79 8.175 32.304 7.419 1.00 0.00 N ATOM 1224 CA LEU A 79 9.060 31.858 8.493 1.00 0.00 C ATOM 1225 C LEU A 79 10.530 31.907 8.085 1.00 0.00 C ATOM 1226 O LEU A 79 11.374 32.335 8.870 1.00 0.00 O ATOM 1227 CB LEU A 79 8.680 30.427 8.890 1.00 0.00 C ATOM 1228 CG LEU A 79 7.191 30.269 9.221 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.913 28.816 9.596 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.800 31.168 10.391 1.00 0.00 C ATOM 0 H LEU A 79 8.182 31.703 6.595 1.00 0.00 H new ATOM 0 HA LEU A 79 8.935 32.536 9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.939 29.750 8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.272 30.127 9.755 1.00 0.00 H new ATOM 0 HG LEU A 79 6.606 30.555 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.856 28.697 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.173 28.168 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.512 28.543 10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.740 31.040 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.386 30.898 11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.994 32.209 10.131 1.00 0.00 H new ATOM 1242 N MET A 80 10.835 31.471 6.860 1.00 0.00 N ATOM 1243 CA MET A 80 12.185 31.423 6.309 1.00 0.00 C ATOM 1244 C MET A 80 13.176 30.685 7.215 1.00 0.00 C ATOM 1245 O MET A 80 14.379 30.740 6.967 1.00 0.00 O ATOM 1246 CB MET A 80 12.681 32.838 5.994 1.00 0.00 C ATOM 1247 CG MET A 80 11.640 33.601 5.182 1.00 0.00 C ATOM 1248 SD MET A 80 12.241 35.168 4.498 1.00 0.00 S ATOM 1249 CE MET A 80 13.227 34.512 3.126 1.00 0.00 C ATOM 0 H MET A 80 10.127 31.133 6.208 1.00 0.00 H new ATOM 0 HA MET A 80 12.130 30.848 5.385 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.890 33.371 6.921 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.617 32.786 5.439 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.297 32.968 4.364 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.775 33.801 5.815 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.039 35.203 2.899 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.642 33.544 3.406 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.594 34.395 2.247 1.00 0.00 H new ATOM 1259 N GLN A 81 12.687 30.001 8.258 1.00 0.00 N ATOM 1260 CA GLN A 81 13.513 29.368 9.276 1.00 0.00 C ATOM 1261 C GLN A 81 14.489 30.368 9.913 1.00 0.00 C ATOM 1262 O GLN A 81 15.431 29.987 10.607 1.00 0.00 O ATOM 1263 CB GLN A 81 14.150 28.096 8.690 1.00 0.00 C ATOM 1264 CG GLN A 81 15.059 27.318 9.649 1.00 0.00 C ATOM 1265 CD GLN A 81 14.359 26.921 10.946 1.00 0.00 C ATOM 1266 OE1 GLN A 81 13.136 26.851 11.017 1.00 0.00 O ATOM 1267 NE2 GLN A 81 15.134 26.656 11.991 1.00 0.00 N ATOM 0 H GLN A 81 11.687 29.874 8.414 1.00 0.00 H new ATOM 0 HA GLN A 81 12.903 29.040 10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.354 27.433 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.730 28.372 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.421 26.420 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.933 27.925 9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.148 26.722 11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.715 26.386 12.881 1.00 0.00 H new ATOM 1276 N SER A 82 14.271 31.666 9.682 1.00 0.00 N ATOM 1277 CA SER A 82 15.167 32.719 10.141 1.00 0.00 C ATOM 1278 C SER A 82 14.429 34.058 10.257 1.00 0.00 C ATOM 1279 O SER A 82 15.030 35.122 10.119 1.00 0.00 O ATOM 1280 CB SER A 82 16.365 32.812 9.189 1.00 0.00 C ATOM 1281 OG SER A 82 17.316 33.740 9.664 1.00 0.00 O ATOM 0 H SER A 82 13.461 32.013 9.168 1.00 0.00 H new ATOM 0 HA SER A 82 15.532 32.474 11.138 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.829 31.831 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.024 33.110 8.197 1.00 0.00 H new ATOM 0 HG SER A 82 16.860 34.562 9.942 1.00 0.00 H new ATOM 1287 N HIS A 83 13.114 34.018 10.505 1.00 0.00 N ATOM 1288 CA HIS A 83 12.305 35.224 10.611 1.00 0.00 C ATOM 1289 C HIS A 83 12.808 36.134 11.731 1.00 0.00 C ATOM 1290 O HIS A 83 13.257 35.656 12.772 1.00 0.00 O ATOM 1291 CB HIS A 83 10.835 34.849 10.827 1.00 0.00 C ATOM 1292 CG HIS A 83 9.945 36.041 11.049 1.00 0.00 C ATOM 1293 ND1 HIS A 83 9.802 36.757 12.225 1.00 0.00 N ATOM 1294 CD2 HIS A 83 9.119 36.601 10.114 1.00 0.00 C ATOM 1295 CE1 HIS A 83 8.921 37.753 12.000 1.00 0.00 C ATOM 1296 NE2 HIS A 83 8.500 37.677 10.722 1.00 0.00 N ATOM 0 H HIS A 83 12.590 33.153 10.636 1.00 0.00 H new ATOM 0 HA HIS A 83 12.392 35.780 9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.477 34.293 9.960 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.759 34.182 11.686 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.978 36.267 9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.605 38.490 12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.835 38.309 10.277 1.00 0.00 H new ATOM 1305 N GLN A 84 12.730 37.447 11.509 1.00 0.00 N ATOM 1306 CA GLN A 84 13.150 38.444 12.488 1.00 0.00 C ATOM 1307 C GLN A 84 12.459 39.791 12.256 1.00 0.00 C ATOM 1308 O GLN A 84 12.234 40.536 13.208 1.00 0.00 O ATOM 1309 CB GLN A 84 14.675 38.586 12.405 1.00 0.00 C ATOM 1310 CG GLN A 84 15.228 39.711 13.290 1.00 0.00 C ATOM 1311 CD GLN A 84 14.975 39.483 14.777 1.00 0.00 C ATOM 1312 OE1 GLN A 84 14.588 38.399 15.206 1.00 0.00 O ATOM 1313 NE2 GLN A 84 15.196 40.516 15.585 1.00 0.00 N ATOM 0 H GLN A 84 12.372 37.847 10.642 1.00 0.00 H new ATOM 0 HA GLN A 84 12.859 38.115 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.137 37.643 12.697 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.960 38.774 11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.301 39.804 13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.775 40.656 12.991 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.517 41.405 15.201 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.044 40.420 16.589 1.00 0.00 H new ATOM 1322 N ASP A 85 12.119 40.113 11.002 1.00 0.00 N ATOM 1323 CA ASP A 85 11.485 41.380 10.663 1.00 0.00 C ATOM 1324 C ASP A 85 10.560 41.355 9.441 1.00 0.00 C ATOM 1325 O ASP A 85 10.044 42.397 9.038 1.00 0.00 O ATOM 1326 CB ASP A 85 12.529 42.499 10.552 1.00 0.00 C ATOM 1327 CG ASP A 85 13.757 42.119 9.728 1.00 0.00 C ATOM 1328 OD1 ASP A 85 14.769 42.844 9.842 1.00 0.00 O ATOM 1329 OD2 ASP A 85 13.692 41.111 8.990 1.00 0.00 O ATOM 0 H ASP A 85 12.277 39.501 10.201 1.00 0.00 H new ATOM 0 HA ASP A 85 10.814 41.585 11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.061 43.376 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.850 42.784 11.554 1.00 0.00 H new ATOM 1334 N LYS A 86 10.352 40.176 8.854 1.00 0.00 N ATOM 1335 CA LYS A 86 9.534 40.030 7.655 1.00 0.00 C ATOM 1336 C LYS A 86 8.046 40.166 7.980 1.00 0.00 C ATOM 1337 O LYS A 86 7.599 39.494 8.935 1.00 0.00 O ATOM 1338 CB LYS A 86 9.859 38.702 6.969 1.00 0.00 C ATOM 1339 CG LYS A 86 8.991 38.495 5.726 1.00 0.00 C ATOM 1340 CD LYS A 86 9.561 37.347 4.889 1.00 0.00 C ATOM 1341 CE LYS A 86 8.725 37.170 3.619 1.00 0.00 C ATOM 1342 NZ LYS A 86 9.395 36.271 2.662 1.00 0.00 N ATOM 0 H LYS A 86 10.745 39.300 9.197 1.00 0.00 H new ATOM 0 HA LYS A 86 9.771 40.836 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.912 38.683 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.701 37.880 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.965 38.271 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.961 39.410 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.598 37.555 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.558 36.424 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.746 36.766 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.556 38.141 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.681 35.795 2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.032 36.824 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.946 35.559 3.182 1.00 0.00 H new TER 1356 LYS A 86