USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 21 THR OG1 : rot 46:sc= -0.551 USER MOD Set 1.2: A 43 HIS : no HD1:sc= -3.31 K(o=-3.9,f=-5.6!) USER MOD Set 2.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot 180:sc= -0.679 USER MOD Set 3.1: A 23 SER OG : rot -130:sc= 0.521 USER MOD Set 3.2: A 25 HIS :FLIP no HD1:sc= -0.0941 F(o=-1.7,f=0.43) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=-0.025) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 166:sc= -3.67 (180deg=-4.39!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 27 MET CE :methyl -154:sc= -2.33 (180deg=-4.32!) USER MOD Single : A 28 SER OG : rot 21:sc= 0.647 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.67 K(o=-0.67,f=-2.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -122:sc= -2.54! USER MOD Single : A 40 SER OG : rot 170:sc= -0.515 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-6!) USER MOD Single : A 53 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=-0.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.13 F(o=-1.8,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=0.0031) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 66 GLN : amide:sc= -0.0707 K(o=-0.071,f=-0.6) USER MOD Single : A 68 MET CE :methyl -165:sc= -0.252 (180deg=-0.68) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.78! C(o=-3.8!,f=-5.1!) USER MOD Single : A 74 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.473 K(o=-0.47,f=-1.5) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.402 -7.228 -15.919 1.00 0.00 N ATOM 2 CA GLY A 1 -9.600 -7.350 -17.122 1.00 0.00 C ATOM 3 C GLY A 1 -8.857 -8.669 -17.192 1.00 0.00 C ATOM 4 O GLY A 1 -8.989 -9.512 -16.305 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.409 -7.189 -16.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.233 -8.049 -15.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.140 -6.358 -15.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.244 -7.253 -17.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.883 -6.530 -17.162 1.00 0.00 H new ATOM 8 N SER A 2 -8.073 -8.850 -18.250 1.00 0.00 N ATOM 9 CA SER A 2 -7.310 -10.078 -18.436 1.00 0.00 C ATOM 10 C SER A 2 -5.871 -9.901 -17.960 1.00 0.00 C ATOM 11 O SER A 2 -5.095 -9.154 -18.558 1.00 0.00 O ATOM 12 CB SER A 2 -7.325 -10.496 -19.907 1.00 0.00 C ATOM 13 OG SER A 2 -8.586 -11.029 -20.273 1.00 0.00 O ATOM 0 H SER A 2 -7.950 -8.161 -18.992 1.00 0.00 H new ATOM 0 HA SER A 2 -7.778 -10.861 -17.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.094 -9.636 -20.535 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.547 -11.239 -20.085 1.00 0.00 H new ATOM 0 HG SER A 2 -8.570 -11.287 -21.218 1.00 0.00 H new ATOM 19 N HIS A 3 -5.521 -10.593 -16.881 1.00 0.00 N ATOM 20 CA HIS A 3 -4.175 -10.514 -16.324 1.00 0.00 C ATOM 21 C HIS A 3 -3.980 -11.552 -15.224 1.00 0.00 C ATOM 22 O HIS A 3 -4.946 -12.028 -14.628 1.00 0.00 O ATOM 23 CB HIS A 3 -3.911 -9.113 -15.772 1.00 0.00 C ATOM 24 CG HIS A 3 -2.456 -8.789 -15.632 1.00 0.00 C ATOM 25 ND1 HIS A 3 -1.834 -8.629 -14.411 1.00 0.00 N ATOM 26 CD2 HIS A 3 -1.497 -8.596 -16.568 1.00 0.00 C ATOM 27 CE1 HIS A 3 -0.557 -8.351 -14.602 1.00 0.00 C ATOM 28 NE2 HIS A 3 -0.327 -8.325 -15.903 1.00 0.00 N ATOM 0 H HIS A 3 -6.151 -11.215 -16.374 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.464 -10.721 -17.124 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.377 -8.379 -16.429 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.391 -9.019 -14.798 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.628 -8.646 -17.639 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.174 -8.175 -13.827 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.574 -8.134 -16.342 1.00 0.00 H new ATOM 36 N MET A 4 -2.724 -11.900 -14.961 1.00 0.00 N ATOM 37 CA MET A 4 -2.403 -12.882 -13.932 1.00 0.00 C ATOM 38 C MET A 4 -2.988 -12.469 -12.585 1.00 0.00 C ATOM 39 O MET A 4 -3.088 -11.281 -12.278 1.00 0.00 O ATOM 40 CB MET A 4 -0.887 -13.050 -13.813 1.00 0.00 C ATOM 41 CG MET A 4 -0.470 -14.080 -12.775 1.00 0.00 C ATOM 42 SD MET A 4 1.318 -14.155 -12.552 1.00 0.00 S ATOM 43 CE MET A 4 1.430 -14.304 -10.770 1.00 0.00 C ATOM 0 H MET A 4 -1.913 -11.517 -15.446 1.00 0.00 H new ATOM 0 HA MET A 4 -2.845 -13.835 -14.223 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.484 -13.340 -14.783 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.442 -12.088 -13.558 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.942 -13.841 -11.822 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.837 -15.062 -13.075 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.478 -14.361 -10.475 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.968 -13.434 -10.302 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.912 -15.207 -10.447 1.00 0.00 H new ATOM 53 N VAL A 5 -3.375 -13.458 -11.785 1.00 0.00 N ATOM 54 CA VAL A 5 -3.949 -13.198 -10.470 1.00 0.00 C ATOM 55 C VAL A 5 -2.997 -13.626 -9.360 1.00 0.00 C ATOM 56 O VAL A 5 -2.363 -14.678 -9.443 1.00 0.00 O ATOM 57 CB VAL A 5 -5.293 -13.929 -10.290 1.00 0.00 C ATOM 58 CG1 VAL A 5 -6.286 -13.491 -11.356 1.00 0.00 C ATOM 59 CG2 VAL A 5 -5.088 -15.436 -10.327 1.00 0.00 C ATOM 0 H VAL A 5 -3.301 -14.447 -12.025 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.117 -12.123 -10.405 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.703 -13.665 -9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.229 -14.018 -11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.455 -12.417 -11.277 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.887 -13.724 -12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.047 -15.937 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.656 -15.721 -11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.414 -15.731 -9.523 1.00 0.00 H new ATOM 69 N ASP A 6 -2.902 -12.804 -8.320 1.00 0.00 N ATOM 70 CA ASP A 6 -2.028 -13.099 -7.190 1.00 0.00 C ATOM 71 C ASP A 6 -2.829 -13.634 -6.008 1.00 0.00 C ATOM 72 O ASP A 6 -2.641 -13.203 -4.870 1.00 0.00 O ATOM 73 CB ASP A 6 -1.257 -11.845 -6.774 1.00 0.00 C ATOM 74 CG ASP A 6 0.071 -12.172 -6.120 1.00 0.00 C ATOM 75 OD1 ASP A 6 0.689 -13.185 -6.508 1.00 0.00 O ATOM 76 OD2 ASP A 6 0.491 -11.415 -5.220 1.00 0.00 O ATOM 0 H ASP A 6 -3.419 -11.929 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.319 -13.866 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.083 -11.221 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.865 -11.261 -6.083 1.00 0.00 H new ATOM 81 N LYS A 7 -3.726 -14.575 -6.285 1.00 0.00 N ATOM 82 CA LYS A 7 -4.557 -15.170 -5.245 1.00 0.00 C ATOM 83 C LYS A 7 -4.233 -16.651 -5.071 1.00 0.00 C ATOM 84 O LYS A 7 -4.995 -17.529 -5.475 1.00 0.00 O ATOM 85 CB LYS A 7 -6.039 -14.998 -5.588 1.00 0.00 C ATOM 86 CG LYS A 7 -6.452 -13.551 -5.791 1.00 0.00 C ATOM 87 CD LYS A 7 -6.641 -12.833 -4.465 1.00 0.00 C ATOM 88 CE LYS A 7 -6.400 -11.338 -4.602 1.00 0.00 C ATOM 89 NZ LYS A 7 -7.639 -10.610 -4.992 1.00 0.00 N ATOM 0 H LYS A 7 -3.896 -14.942 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.345 -14.657 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.261 -15.561 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.641 -15.430 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.694 -13.035 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.380 -13.513 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.652 -13.007 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.956 -13.247 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.028 -10.942 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.625 -11.162 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.433 -9.594 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.980 -10.970 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.371 -10.757 -4.267 1.00 0.00 H new ATOM 103 N PRO A 8 -3.077 -16.936 -4.454 1.00 0.00 N ATOM 104 CA PRO A 8 -2.627 -18.309 -4.210 1.00 0.00 C ATOM 105 C PRO A 8 -3.475 -19.019 -3.161 1.00 0.00 C ATOM 106 O PRO A 8 -4.463 -18.472 -2.671 1.00 0.00 O ATOM 107 CB PRO A 8 -1.193 -18.129 -3.706 1.00 0.00 C ATOM 108 CG PRO A 8 -1.166 -16.759 -3.122 1.00 0.00 C ATOM 109 CD PRO A 8 -2.119 -15.938 -3.946 1.00 0.00 C ATOM 0 HA PRO A 8 -2.704 -18.928 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.938 -18.882 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.473 -18.227 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.469 -16.775 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.160 -16.340 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.614 -15.174 -3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.607 -15.423 -4.758 1.00 0.00 H new ATOM 117 N LYS A 9 -3.083 -20.242 -2.818 1.00 0.00 N ATOM 118 CA LYS A 9 -3.805 -21.027 -1.824 1.00 0.00 C ATOM 119 C LYS A 9 -2.847 -21.893 -1.013 1.00 0.00 C ATOM 120 O LYS A 9 -1.714 -22.137 -1.427 1.00 0.00 O ATOM 121 CB LYS A 9 -4.854 -21.909 -2.506 1.00 0.00 C ATOM 122 CG LYS A 9 -4.257 -23.008 -3.368 1.00 0.00 C ATOM 123 CD LYS A 9 -5.337 -23.878 -3.989 1.00 0.00 C ATOM 124 CE LYS A 9 -6.075 -23.144 -5.098 1.00 0.00 C ATOM 125 NZ LYS A 9 -5.385 -23.284 -6.410 1.00 0.00 N ATOM 0 H LYS A 9 -2.269 -20.711 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.305 -20.336 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.488 -22.361 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.497 -21.282 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.649 -22.564 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.594 -23.626 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.888 -24.787 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.046 -24.184 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.090 -23.533 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.158 -22.088 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.919 -22.770 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.425 -22.890 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.328 -24.290 -6.667 1.00 0.00 H new ATOM 139 N MET A 10 -3.310 -22.356 0.144 1.00 0.00 N ATOM 140 CA MET A 10 -2.493 -23.197 1.011 1.00 0.00 C ATOM 141 C MET A 10 -3.319 -24.339 1.594 1.00 0.00 C ATOM 142 O MET A 10 -4.484 -24.158 1.946 1.00 0.00 O ATOM 143 CB MET A 10 -1.885 -22.363 2.140 1.00 0.00 C ATOM 144 CG MET A 10 -2.869 -21.397 2.780 1.00 0.00 C ATOM 145 SD MET A 10 -2.554 -21.147 4.537 1.00 0.00 S ATOM 146 CE MET A 10 -3.770 -22.245 5.259 1.00 0.00 C ATOM 0 H MET A 10 -4.245 -22.163 0.502 1.00 0.00 H new ATOM 0 HA MET A 10 -1.689 -23.623 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.496 -23.033 2.906 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.038 -21.800 1.749 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.817 -20.438 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.882 -21.776 2.647 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.544 -22.395 6.315 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.762 -21.805 5.160 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.746 -23.205 4.743 1.00 0.00 H new ATOM 156 N MET A 11 -2.707 -25.515 1.694 1.00 0.00 N ATOM 157 CA MET A 11 -3.387 -26.686 2.235 1.00 0.00 C ATOM 158 C MET A 11 -3.087 -26.850 3.722 1.00 0.00 C ATOM 159 O MET A 11 -1.936 -26.745 4.147 1.00 0.00 O ATOM 160 CB MET A 11 -2.963 -27.945 1.476 1.00 0.00 C ATOM 161 CG MET A 11 -4.042 -29.014 1.422 1.00 0.00 C ATOM 162 SD MET A 11 -3.478 -30.530 0.626 1.00 0.00 S ATOM 163 CE MET A 11 -4.284 -30.396 -0.968 1.00 0.00 C ATOM 0 H MET A 11 -1.742 -25.682 1.408 1.00 0.00 H new ATOM 0 HA MET A 11 -4.460 -26.541 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.685 -27.670 0.459 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.073 -28.362 1.948 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.373 -29.242 2.435 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.906 -28.625 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.031 -31.264 -1.578 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.364 -30.354 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.948 -29.489 -1.471 1.00 0.00 H new ATOM 173 N ILE A 12 -4.128 -27.106 4.506 1.00 0.00 N ATOM 174 CA ILE A 12 -3.975 -27.285 5.945 1.00 0.00 C ATOM 175 C ILE A 12 -4.977 -28.300 6.483 1.00 0.00 C ATOM 176 O ILE A 12 -6.187 -28.140 6.319 1.00 0.00 O ATOM 177 CB ILE A 12 -4.153 -25.954 6.699 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.418 -25.238 6.223 1.00 0.00 C ATOM 179 CG2 ILE A 12 -2.931 -25.068 6.506 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.248 -24.663 7.349 1.00 0.00 C ATOM 0 H ILE A 12 -5.087 -27.194 4.170 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.963 -27.655 6.111 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.258 -26.167 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.136 -24.434 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.029 -25.938 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.072 -24.131 7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.048 -25.578 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.797 -24.859 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.129 -24.170 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.560 -25.465 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.654 -23.938 7.905 1.00 0.00 H new ATOM 192 N ALA A 13 -4.467 -29.343 7.128 1.00 0.00 N ATOM 193 CA ALA A 13 -5.317 -30.382 7.695 1.00 0.00 C ATOM 194 C ALA A 13 -5.669 -30.074 9.146 1.00 0.00 C ATOM 195 O ALA A 13 -4.788 -29.811 9.966 1.00 0.00 O ATOM 196 CB ALA A 13 -4.634 -31.738 7.591 1.00 0.00 C ATOM 0 H ALA A 13 -3.468 -29.491 7.271 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.244 -30.410 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.280 -32.505 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.441 -31.969 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.691 -31.713 8.137 1.00 0.00 H new ATOM 202 N PHE A 14 -6.960 -30.107 9.458 1.00 0.00 N ATOM 203 CA PHE A 14 -7.428 -29.829 10.811 1.00 0.00 C ATOM 204 C PHE A 14 -8.044 -31.075 11.440 1.00 0.00 C ATOM 205 O PHE A 14 -8.792 -31.808 10.791 1.00 0.00 O ATOM 206 CB PHE A 14 -8.451 -28.692 10.796 1.00 0.00 C ATOM 207 CG PHE A 14 -9.871 -29.162 10.929 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.579 -29.595 9.819 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.499 -29.169 12.164 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.886 -30.028 9.939 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.806 -29.602 12.290 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.500 -30.031 11.175 1.00 0.00 C ATOM 0 H PHE A 14 -7.701 -30.324 8.792 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.569 -29.527 11.411 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.227 -28.002 11.610 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.347 -28.133 9.866 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.104 -29.594 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.961 -28.832 13.038 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.426 -30.364 9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.284 -29.605 13.259 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.522 -30.368 11.271 1.00 0.00 H new ATOM 222 N THR A 15 -7.725 -31.310 12.708 1.00 0.00 N ATOM 223 CA THR A 15 -8.244 -32.468 13.426 1.00 0.00 C ATOM 224 C THR A 15 -9.648 -32.201 13.956 1.00 0.00 C ATOM 225 O THR A 15 -9.830 -31.425 14.895 1.00 0.00 O ATOM 226 CB THR A 15 -7.329 -32.857 14.602 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.998 -33.092 14.130 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.851 -34.102 15.304 1.00 0.00 C ATOM 0 H THR A 15 -7.109 -30.713 13.260 1.00 0.00 H new ATOM 0 HA THR A 15 -8.277 -33.293 12.714 1.00 0.00 H new ATOM 0 HB THR A 15 -7.321 -32.033 15.316 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.422 -33.337 14.884 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.189 -34.358 16.131 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.853 -33.910 15.687 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.885 -34.931 14.597 1.00 0.00 H new ATOM 236 N CYS A 16 -10.638 -32.847 13.350 1.00 0.00 N ATOM 237 CA CYS A 16 -12.027 -32.679 13.762 1.00 0.00 C ATOM 238 C CYS A 16 -12.269 -33.313 15.128 1.00 0.00 C ATOM 239 O CYS A 16 -12.281 -34.537 15.263 1.00 0.00 O ATOM 240 CB CYS A 16 -12.966 -33.297 12.725 1.00 0.00 C ATOM 241 SG CYS A 16 -14.603 -32.531 12.663 1.00 0.00 S ATOM 0 H CYS A 16 -10.505 -33.492 12.571 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.232 -31.611 13.836 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.504 -33.221 11.741 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.081 -34.359 12.942 1.00 0.00 H new ATOM 246 N LYS A 17 -12.462 -32.473 16.138 1.00 0.00 N ATOM 247 CA LYS A 17 -12.704 -32.949 17.495 1.00 0.00 C ATOM 248 C LYS A 17 -14.095 -33.562 17.616 1.00 0.00 C ATOM 249 O LYS A 17 -14.420 -34.199 18.618 1.00 0.00 O ATOM 250 CB LYS A 17 -12.551 -31.802 18.496 1.00 0.00 C ATOM 251 CG LYS A 17 -11.412 -32.000 19.480 1.00 0.00 C ATOM 252 CD LYS A 17 -10.318 -30.963 19.283 1.00 0.00 C ATOM 253 CE LYS A 17 -9.475 -30.798 20.538 1.00 0.00 C ATOM 254 NZ LYS A 17 -9.423 -29.379 20.988 1.00 0.00 N ATOM 0 H LYS A 17 -12.456 -31.457 16.043 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.966 -33.719 17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.390 -30.873 17.949 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.483 -31.688 19.050 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.795 -31.937 20.499 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.994 -32.999 19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.680 -31.260 18.451 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.766 -30.006 19.016 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.886 -31.417 21.336 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.463 -31.155 20.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.839 -29.308 21.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.008 -28.792 20.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.386 -29.045 21.196 1.00 0.00 H new ATOM 268 N LYS A 18 -14.915 -33.366 16.588 1.00 0.00 N ATOM 269 CA LYS A 18 -16.271 -33.902 16.578 1.00 0.00 C ATOM 270 C LYS A 18 -16.259 -35.408 16.339 1.00 0.00 C ATOM 271 O LYS A 18 -16.834 -36.173 17.114 1.00 0.00 O ATOM 272 CB LYS A 18 -17.106 -33.210 15.498 1.00 0.00 C ATOM 273 CG LYS A 18 -18.572 -33.606 15.516 1.00 0.00 C ATOM 274 CD LYS A 18 -19.447 -32.534 14.887 1.00 0.00 C ATOM 275 CE LYS A 18 -20.307 -33.102 13.769 1.00 0.00 C ATOM 276 NZ LYS A 18 -21.618 -32.403 13.669 1.00 0.00 N ATOM 0 H LYS A 18 -14.664 -32.840 15.751 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.718 -33.711 17.553 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.028 -32.130 15.627 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.687 -33.445 14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.703 -34.545 14.979 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.890 -33.780 16.544 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.087 -32.091 15.650 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.819 -31.734 14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.775 -33.014 12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.474 -34.165 13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.175 -32.819 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.137 -32.508 14.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.459 -31.393 13.477 1.00 0.00 H new ATOM 290 N CYS A 19 -15.601 -35.827 15.264 1.00 0.00 N ATOM 291 CA CYS A 19 -15.514 -37.243 14.924 1.00 0.00 C ATOM 292 C CYS A 19 -14.075 -37.739 15.025 1.00 0.00 C ATOM 293 O CYS A 19 -13.735 -38.797 14.498 1.00 0.00 O ATOM 294 CB CYS A 19 -16.052 -37.484 13.513 1.00 0.00 C ATOM 295 SG CYS A 19 -15.379 -36.361 12.265 1.00 0.00 S ATOM 0 H CYS A 19 -15.120 -35.207 14.613 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.122 -37.801 15.637 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.829 -38.510 13.221 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.137 -37.385 13.528 1.00 0.00 H new ATOM 300 N ASN A 20 -13.234 -36.965 15.703 1.00 0.00 N ATOM 301 CA ASN A 20 -11.831 -37.325 15.871 1.00 0.00 C ATOM 302 C ASN A 20 -11.202 -37.702 14.533 1.00 0.00 C ATOM 303 O ASN A 20 -10.276 -38.511 14.475 1.00 0.00 O ATOM 304 CB ASN A 20 -11.695 -38.487 16.856 1.00 0.00 C ATOM 305 CG ASN A 20 -12.399 -38.216 18.171 1.00 0.00 C ATOM 306 OD1 ASN A 20 -13.216 -39.016 18.628 1.00 0.00 O ATOM 307 ND2 ASN A 20 -12.086 -37.081 18.787 1.00 0.00 N ATOM 0 H ASN A 20 -13.500 -36.085 16.145 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.305 -36.457 16.268 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.106 -39.391 16.406 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.639 -38.678 17.045 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.529 -36.844 19.675 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.403 -36.447 18.372 1.00 0.00 H new ATOM 314 N THR A 21 -11.713 -37.109 13.457 1.00 0.00 N ATOM 315 CA THR A 21 -11.203 -37.383 12.120 1.00 0.00 C ATOM 316 C THR A 21 -10.436 -36.186 11.569 1.00 0.00 C ATOM 317 O THR A 21 -10.889 -35.046 11.672 1.00 0.00 O ATOM 318 CB THR A 21 -12.341 -37.741 11.147 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.159 -38.774 11.708 1.00 0.00 O ATOM 320 CG2 THR A 21 -11.785 -38.199 9.807 1.00 0.00 C ATOM 0 H THR A 21 -12.479 -36.436 13.487 1.00 0.00 H new ATOM 0 HA THR A 21 -10.529 -38.235 12.207 1.00 0.00 H new ATOM 0 HB THR A 21 -12.944 -36.848 10.985 1.00 0.00 H new ATOM 0 HG1 THR A 21 -13.358 -38.562 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.608 -38.446 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.188 -37.400 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.160 -39.080 9.954 1.00 0.00 H new ATOM 328 N ARG A 22 -9.274 -36.452 10.982 1.00 0.00 N ATOM 329 CA ARG A 22 -8.444 -35.396 10.415 1.00 0.00 C ATOM 330 C ARG A 22 -8.514 -35.410 8.890 1.00 0.00 C ATOM 331 O ARG A 22 -8.318 -36.448 8.259 1.00 0.00 O ATOM 332 CB ARG A 22 -6.993 -35.558 10.871 1.00 0.00 C ATOM 333 CG ARG A 22 -6.213 -34.253 10.895 1.00 0.00 C ATOM 334 CD ARG A 22 -4.856 -34.428 11.557 1.00 0.00 C ATOM 335 NE ARG A 22 -3.763 -34.360 10.591 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.339 -35.404 9.887 1.00 0.00 C ATOM 337 NH1 ARG A 22 -3.914 -36.589 10.039 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.338 -35.263 9.027 1.00 0.00 N ATOM 0 H ARG A 22 -8.886 -37.390 10.887 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.824 -34.438 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.981 -35.997 11.869 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.489 -36.261 10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.078 -33.890 9.876 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.785 -33.495 11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.720 -33.655 12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.825 -35.388 12.072 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.300 -33.462 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.684 -36.701 10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.586 -37.388 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.894 -34.353 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.013 -36.065 8.487 1.00 0.00 H new ATOM 352 N SER A 23 -8.795 -34.250 8.306 1.00 0.00 N ATOM 353 CA SER A 23 -8.895 -34.129 6.856 1.00 0.00 C ATOM 354 C SER A 23 -8.163 -32.885 6.362 1.00 0.00 C ATOM 355 O SER A 23 -8.023 -31.903 7.092 1.00 0.00 O ATOM 356 CB SER A 23 -10.363 -34.074 6.428 1.00 0.00 C ATOM 357 OG SER A 23 -10.508 -33.404 5.187 1.00 0.00 O ATOM 0 H SER A 23 -8.957 -33.381 8.814 1.00 0.00 H new ATOM 0 HA SER A 23 -8.426 -35.006 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.760 -35.086 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.949 -33.562 7.192 1.00 0.00 H new ATOM 0 HG SER A 23 -11.208 -32.722 5.263 1.00 0.00 H new ATOM 363 N SER A 24 -7.698 -32.934 5.118 1.00 0.00 N ATOM 364 CA SER A 24 -6.976 -31.813 4.527 1.00 0.00 C ATOM 365 C SER A 24 -7.922 -30.915 3.735 1.00 0.00 C ATOM 366 O SER A 24 -8.845 -31.395 3.077 1.00 0.00 O ATOM 367 CB SER A 24 -5.857 -32.323 3.618 1.00 0.00 C ATOM 368 OG SER A 24 -6.032 -33.696 3.314 1.00 0.00 O ATOM 0 H SER A 24 -7.808 -33.738 4.500 1.00 0.00 H new ATOM 0 HA SER A 24 -6.539 -31.227 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.841 -31.742 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.893 -32.175 4.105 1.00 0.00 H new ATOM 0 HG SER A 24 -5.305 -33.997 2.730 1.00 0.00 H new ATOM 374 N HIS A 25 -7.684 -29.609 3.804 1.00 0.00 N ATOM 375 CA HIS A 25 -8.513 -28.643 3.093 1.00 0.00 C ATOM 376 C HIS A 25 -7.673 -27.474 2.587 1.00 0.00 C ATOM 377 O HIS A 25 -6.916 -26.865 3.344 1.00 0.00 O ATOM 378 CB HIS A 25 -9.628 -28.128 4.004 1.00 0.00 C ATOM 379 CG HIS A 25 -10.218 -29.186 4.885 1.00 0.00 C ATOM 380 ND1 HIS A 25 -9.800 -29.684 6.072 1.00 0.00 N flip ATOM 381 CD2 HIS A 25 -11.380 -29.861 4.575 1.00 0.00 C flip ATOM 382 CE1 HIS A 25 -10.708 -30.641 6.454 1.00 0.00 C flip ATOM 383 NE2 HIS A 25 -11.651 -30.729 5.534 1.00 0.00 N flip ATOM 0 H HIS A 25 -6.924 -29.196 4.345 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.958 -29.146 2.235 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.235 -27.325 4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.418 -27.696 3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.975 -29.705 3.688 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.659 -31.227 7.360 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.452 -31.360 5.559 1.00 0.00 H new ATOM 391 N THR A 26 -7.811 -27.166 1.301 1.00 0.00 N ATOM 392 CA THR A 26 -7.063 -26.072 0.693 1.00 0.00 C ATOM 393 C THR A 26 -7.927 -24.823 0.560 1.00 0.00 C ATOM 394 O THR A 26 -9.079 -24.896 0.134 1.00 0.00 O ATOM 395 CB THR A 26 -6.528 -26.462 -0.698 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.316 -27.877 -0.762 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.226 -25.735 -1.000 1.00 0.00 C ATOM 0 H THR A 26 -8.434 -27.659 0.661 1.00 0.00 H new ATOM 0 HA THR A 26 -6.221 -25.860 1.352 1.00 0.00 H new ATOM 0 HB THR A 26 -7.269 -26.172 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.978 -28.117 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.867 -26.026 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.397 -24.659 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.480 -25.999 -0.251 1.00 0.00 H new ATOM 405 N MET A 27 -7.363 -23.678 0.928 1.00 0.00 N ATOM 406 CA MET A 27 -8.082 -22.412 0.848 1.00 0.00 C ATOM 407 C MET A 27 -7.123 -21.259 0.568 1.00 0.00 C ATOM 408 O MET A 27 -5.949 -21.313 0.931 1.00 0.00 O ATOM 409 CB MET A 27 -8.845 -22.151 2.149 1.00 0.00 C ATOM 410 CG MET A 27 -7.940 -21.904 3.345 1.00 0.00 C ATOM 411 SD MET A 27 -7.407 -23.432 4.140 1.00 0.00 S ATOM 412 CE MET A 27 -8.943 -23.982 4.879 1.00 0.00 C ATOM 0 H MET A 27 -6.410 -23.600 1.284 1.00 0.00 H new ATOM 0 HA MET A 27 -8.793 -22.478 0.025 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.496 -21.288 2.012 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.488 -23.005 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.064 -21.342 3.023 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.466 -21.285 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.727 -24.607 5.746 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.526 -23.116 5.192 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.512 -24.558 4.149 1.00 0.00 H new ATOM 422 N SER A 28 -7.632 -20.216 -0.081 1.00 0.00 N ATOM 423 CA SER A 28 -6.820 -19.052 -0.414 1.00 0.00 C ATOM 424 C SER A 28 -6.101 -18.520 0.822 1.00 0.00 C ATOM 425 O SER A 28 -6.729 -18.208 1.834 1.00 0.00 O ATOM 426 CB SER A 28 -7.692 -17.953 -1.024 1.00 0.00 C ATOM 427 OG SER A 28 -6.933 -17.115 -1.878 1.00 0.00 O ATOM 0 H SER A 28 -8.603 -20.154 -0.386 1.00 0.00 H new ATOM 0 HA SER A 28 -6.071 -19.359 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.511 -18.404 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.140 -17.357 -0.229 1.00 0.00 H new ATOM 0 HG SER A 28 -6.123 -17.587 -2.164 1.00 0.00 H new ATOM 433 N LYS A 29 -4.779 -18.419 0.732 1.00 0.00 N ATOM 434 CA LYS A 29 -3.972 -17.923 1.840 1.00 0.00 C ATOM 435 C LYS A 29 -4.400 -16.514 2.238 1.00 0.00 C ATOM 436 O LYS A 29 -4.375 -16.158 3.416 1.00 0.00 O ATOM 437 CB LYS A 29 -2.490 -17.929 1.461 1.00 0.00 C ATOM 438 CG LYS A 29 -1.562 -18.174 2.639 1.00 0.00 C ATOM 439 CD LYS A 29 -0.924 -16.883 3.124 1.00 0.00 C ATOM 440 CE LYS A 29 0.245 -16.473 2.242 1.00 0.00 C ATOM 441 NZ LYS A 29 1.514 -17.132 2.661 1.00 0.00 N ATOM 0 H LYS A 29 -4.244 -18.674 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.126 -18.584 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.319 -18.699 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.237 -16.973 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.121 -18.633 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.783 -18.879 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.670 -16.088 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.580 -17.009 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.026 -16.732 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.368 -15.391 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.287 -16.827 2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.736 -16.865 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.406 -18.165 2.599 1.00 0.00 H new ATOM 455 N GLN A 30 -4.794 -15.719 1.249 1.00 0.00 N ATOM 456 CA GLN A 30 -5.228 -14.349 1.497 1.00 0.00 C ATOM 457 C GLN A 30 -6.562 -14.327 2.237 1.00 0.00 C ATOM 458 O GLN A 30 -6.773 -13.509 3.132 1.00 0.00 O ATOM 459 CB GLN A 30 -5.350 -13.583 0.179 1.00 0.00 C ATOM 460 CG GLN A 30 -5.191 -12.079 0.332 1.00 0.00 C ATOM 461 CD GLN A 30 -6.496 -11.332 0.146 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.118 -11.400 -0.915 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.920 -10.614 1.179 1.00 0.00 N ATOM 0 H GLN A 30 -4.822 -16.000 0.269 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.478 -13.864 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.596 -13.951 -0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.323 -13.794 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.789 -11.859 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.464 -11.719 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.373 -10.586 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.793 -10.090 1.112 1.00 0.00 H new ATOM 472 N ALA A 31 -7.460 -15.230 1.855 1.00 0.00 N ATOM 473 CA ALA A 31 -8.772 -15.315 2.483 1.00 0.00 C ATOM 474 C ALA A 31 -8.672 -15.901 3.888 1.00 0.00 C ATOM 475 O ALA A 31 -9.457 -15.557 4.772 1.00 0.00 O ATOM 476 CB ALA A 31 -9.714 -16.148 1.627 1.00 0.00 C ATOM 0 H ALA A 31 -7.302 -15.913 1.114 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.173 -14.305 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.690 -16.203 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.819 -15.685 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.309 -17.153 1.513 1.00 0.00 H new ATOM 482 N TYR A 32 -7.703 -16.788 4.086 1.00 0.00 N ATOM 483 CA TYR A 32 -7.503 -17.424 5.382 1.00 0.00 C ATOM 484 C TYR A 32 -6.774 -16.489 6.342 1.00 0.00 C ATOM 485 O TYR A 32 -7.188 -16.312 7.487 1.00 0.00 O ATOM 486 CB TYR A 32 -6.712 -18.723 5.219 1.00 0.00 C ATOM 487 CG TYR A 32 -6.301 -19.350 6.532 1.00 0.00 C ATOM 488 CD1 TYR A 32 -7.149 -20.219 7.207 1.00 0.00 C ATOM 489 CD2 TYR A 32 -5.062 -19.074 7.098 1.00 0.00 C ATOM 490 CE1 TYR A 32 -6.777 -20.793 8.407 1.00 0.00 C ATOM 491 CE2 TYR A 32 -4.681 -19.645 8.297 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.542 -20.503 8.948 1.00 0.00 C ATOM 493 OH TYR A 32 -5.167 -21.074 10.142 1.00 0.00 O ATOM 0 H TYR A 32 -7.044 -17.083 3.365 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.483 -17.653 5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.314 -19.437 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.819 -18.523 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.116 -20.450 6.786 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.385 -18.402 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.450 -21.465 8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.714 -19.421 8.722 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.268 -20.767 10.383 1.00 0.00 H new ATOM 503 N GLU A 33 -5.687 -15.891 5.864 1.00 0.00 N ATOM 504 CA GLU A 33 -4.899 -14.974 6.679 1.00 0.00 C ATOM 505 C GLU A 33 -5.606 -13.629 6.820 1.00 0.00 C ATOM 506 O GLU A 33 -5.378 -12.892 7.780 1.00 0.00 O ATOM 507 CB GLU A 33 -3.513 -14.772 6.064 1.00 0.00 C ATOM 508 CG GLU A 33 -2.604 -15.981 6.202 1.00 0.00 C ATOM 509 CD GLU A 33 -1.135 -15.606 6.237 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.693 -14.859 5.339 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.428 -16.059 7.161 1.00 0.00 O ATOM 0 H GLU A 33 -5.332 -16.025 4.917 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.788 -15.413 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.625 -14.531 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.036 -13.914 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.859 -16.520 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.782 -16.661 5.369 1.00 0.00 H new ATOM 518 N LYS A 34 -6.465 -13.314 5.856 1.00 0.00 N ATOM 519 CA LYS A 34 -7.207 -12.059 5.872 1.00 0.00 C ATOM 520 C LYS A 34 -8.626 -12.259 5.351 1.00 0.00 C ATOM 521 O LYS A 34 -8.966 -11.808 4.258 1.00 0.00 O ATOM 522 CB LYS A 34 -6.486 -11.006 5.027 1.00 0.00 C ATOM 523 CG LYS A 34 -4.972 -11.116 5.080 1.00 0.00 C ATOM 524 CD LYS A 34 -4.305 -9.789 4.759 1.00 0.00 C ATOM 525 CE LYS A 34 -3.030 -9.987 3.952 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.941 -9.032 2.813 1.00 0.00 N ATOM 0 H LYS A 34 -6.664 -13.911 5.053 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.263 -11.712 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.813 -11.098 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.782 -10.014 5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.665 -11.448 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.636 -11.874 4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.997 -9.159 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.073 -9.264 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.165 -9.858 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.995 -11.008 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.059 -9.199 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.753 -9.172 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.949 -8.057 3.176 1.00 0.00 H new ATOM 540 N GLY A 35 -9.452 -12.938 6.142 1.00 0.00 N ATOM 541 CA GLY A 35 -10.826 -13.184 5.743 1.00 0.00 C ATOM 542 C GLY A 35 -11.409 -14.417 6.405 1.00 0.00 C ATOM 543 O GLY A 35 -10.754 -15.060 7.226 1.00 0.00 O ATOM 0 H GLY A 35 -9.194 -13.322 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.436 -12.317 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.872 -13.301 4.660 1.00 0.00 H new ATOM 547 N THR A 36 -12.646 -14.748 6.050 1.00 0.00 N ATOM 548 CA THR A 36 -13.319 -15.910 6.616 1.00 0.00 C ATOM 549 C THR A 36 -13.103 -17.147 5.752 1.00 0.00 C ATOM 550 O THR A 36 -13.086 -17.063 4.524 1.00 0.00 O ATOM 551 CB THR A 36 -14.832 -15.663 6.771 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.070 -14.304 7.154 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.430 -16.600 7.809 1.00 0.00 C ATOM 0 H THR A 36 -13.203 -14.227 5.372 1.00 0.00 H new ATOM 0 HA THR A 36 -12.883 -16.078 7.601 1.00 0.00 H new ATOM 0 HB THR A 36 -15.310 -15.858 5.811 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.564 -14.284 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.499 -16.407 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.273 -17.633 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.947 -16.432 8.772 1.00 0.00 H new ATOM 561 N VAL A 37 -12.939 -18.295 6.401 1.00 0.00 N ATOM 562 CA VAL A 37 -12.726 -19.551 5.690 1.00 0.00 C ATOM 563 C VAL A 37 -13.515 -20.686 6.333 1.00 0.00 C ATOM 564 O VAL A 37 -13.498 -20.857 7.552 1.00 0.00 O ATOM 565 CB VAL A 37 -11.234 -19.931 5.658 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.483 -19.063 4.661 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.624 -19.811 7.047 1.00 0.00 C ATOM 0 H VAL A 37 -12.949 -18.382 7.417 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.077 -19.401 4.669 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.148 -20.969 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.430 -19.346 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.905 -19.204 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.575 -18.016 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.569 -20.083 7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.720 -18.784 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.145 -20.480 7.732 1.00 0.00 H new ATOM 577 N LEU A 38 -14.206 -21.461 5.504 1.00 0.00 N ATOM 578 CA LEU A 38 -15.003 -22.582 5.991 1.00 0.00 C ATOM 579 C LEU A 38 -14.562 -23.888 5.335 1.00 0.00 C ATOM 580 O LEU A 38 -14.418 -23.963 4.115 1.00 0.00 O ATOM 581 CB LEU A 38 -16.487 -22.336 5.717 1.00 0.00 C ATOM 582 CG LEU A 38 -17.126 -21.172 6.475 1.00 0.00 C ATOM 583 CD1 LEU A 38 -18.332 -20.639 5.718 1.00 0.00 C ATOM 584 CD2 LEU A 38 -17.523 -21.604 7.879 1.00 0.00 C ATOM 0 H LEU A 38 -14.231 -21.334 4.492 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.848 -22.666 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.614 -22.161 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.036 -23.246 5.959 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.392 -20.370 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.773 -19.811 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.019 -20.290 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.070 -21.433 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.976 -20.763 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.240 -22.423 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.638 -21.936 8.422 1.00 0.00 H new ATOM 596 N ILE A 39 -14.352 -24.913 6.154 1.00 0.00 N ATOM 597 CA ILE A 39 -13.932 -26.216 5.653 1.00 0.00 C ATOM 598 C ILE A 39 -14.925 -27.303 6.049 1.00 0.00 C ATOM 599 O ILE A 39 -15.304 -27.417 7.215 1.00 0.00 O ATOM 600 CB ILE A 39 -12.535 -26.596 6.177 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.410 -26.246 7.661 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.456 -25.892 5.367 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.193 -26.851 8.324 1.00 0.00 C ATOM 0 H ILE A 39 -14.466 -24.867 7.167 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.895 -26.140 4.566 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.401 -27.672 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.371 -25.162 7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.305 -26.586 8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.474 -26.171 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.535 -26.188 4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.585 -24.813 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.169 -26.561 9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.240 -27.937 8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.292 -26.491 7.828 1.00 0.00 H new ATOM 615 N SER A 40 -15.341 -28.102 5.071 1.00 0.00 N ATOM 616 CA SER A 40 -16.291 -29.180 5.317 1.00 0.00 C ATOM 617 C SER A 40 -15.565 -30.499 5.563 1.00 0.00 C ATOM 618 O SER A 40 -14.607 -30.832 4.865 1.00 0.00 O ATOM 619 CB SER A 40 -17.248 -29.325 4.133 1.00 0.00 C ATOM 620 OG SER A 40 -16.576 -29.833 2.993 1.00 0.00 O ATOM 0 H SER A 40 -15.035 -28.023 4.101 1.00 0.00 H new ATOM 0 HA SER A 40 -16.864 -28.929 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.067 -29.991 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.689 -28.357 3.897 1.00 0.00 H new ATOM 0 HG SER A 40 -17.232 -30.068 2.304 1.00 0.00 H new ATOM 626 N CYS A 41 -16.028 -31.245 6.560 1.00 0.00 N ATOM 627 CA CYS A 41 -15.423 -32.528 6.899 1.00 0.00 C ATOM 628 C CYS A 41 -16.147 -33.674 6.199 1.00 0.00 C ATOM 629 O CYS A 41 -17.342 -33.897 6.394 1.00 0.00 O ATOM 630 CB CYS A 41 -15.449 -32.743 8.414 1.00 0.00 C ATOM 631 SG CYS A 41 -14.473 -34.157 8.975 1.00 0.00 S ATOM 0 H CYS A 41 -16.820 -30.984 7.147 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.388 -32.514 6.558 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -15.079 -31.842 8.904 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.482 -32.879 8.733 1.00 0.00 H new ATOM 636 N PRO A 42 -15.409 -34.417 5.362 1.00 0.00 N ATOM 637 CA PRO A 42 -15.960 -35.551 4.614 1.00 0.00 C ATOM 638 C PRO A 42 -16.300 -36.731 5.518 1.00 0.00 C ATOM 639 O PRO A 42 -16.818 -37.749 5.059 1.00 0.00 O ATOM 640 CB PRO A 42 -14.830 -35.924 3.651 1.00 0.00 C ATOM 641 CG PRO A 42 -13.588 -35.445 4.321 1.00 0.00 C ATOM 642 CD PRO A 42 -13.978 -34.208 5.081 1.00 0.00 C ATOM 0 HA PRO A 42 -16.895 -35.295 4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.797 -37.000 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.964 -35.448 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.189 -36.205 4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.810 -35.225 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.400 -34.101 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.812 -33.306 4.493 1.00 0.00 H new ATOM 650 N HIS A 43 -16.006 -36.587 6.807 1.00 0.00 N ATOM 651 CA HIS A 43 -16.283 -37.642 7.776 1.00 0.00 C ATOM 652 C HIS A 43 -17.650 -37.440 8.423 1.00 0.00 C ATOM 653 O HIS A 43 -18.589 -38.192 8.159 1.00 0.00 O ATOM 654 CB HIS A 43 -15.196 -37.673 8.851 1.00 0.00 C ATOM 655 CG HIS A 43 -15.199 -38.927 9.670 1.00 0.00 C ATOM 656 ND1 HIS A 43 -14.315 -39.964 9.461 1.00 0.00 N ATOM 657 CD2 HIS A 43 -15.985 -39.307 10.705 1.00 0.00 C ATOM 658 CE1 HIS A 43 -14.558 -40.929 10.331 1.00 0.00 C ATOM 659 NE2 HIS A 43 -15.566 -40.554 11.098 1.00 0.00 N ATOM 0 H HIS A 43 -15.577 -35.751 7.204 1.00 0.00 H new ATOM 0 HA HIS A 43 -16.288 -38.595 7.248 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.222 -37.562 8.374 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.326 -36.817 9.512 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.791 -38.736 11.140 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -14.023 -41.865 10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.968 -41.102 11.859 1.00 0.00 H new ATOM 667 N CYS A 44 -17.753 -36.424 9.272 1.00 0.00 N ATOM 668 CA CYS A 44 -19.005 -36.125 9.958 1.00 0.00 C ATOM 669 C CYS A 44 -19.950 -35.345 9.050 1.00 0.00 C ATOM 670 O CYS A 44 -21.144 -35.233 9.327 1.00 0.00 O ATOM 671 CB CYS A 44 -18.733 -35.329 11.235 1.00 0.00 C ATOM 672 SG CYS A 44 -17.811 -33.797 10.968 1.00 0.00 S ATOM 0 H CYS A 44 -16.985 -35.793 9.502 1.00 0.00 H new ATOM 0 HA CYS A 44 -19.481 -37.070 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.684 -35.090 11.711 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.178 -35.958 11.931 1.00 0.00 H new ATOM 677 N LYS A 45 -19.407 -34.805 7.964 1.00 0.00 N ATOM 678 CA LYS A 45 -20.200 -34.034 7.014 1.00 0.00 C ATOM 679 C LYS A 45 -20.725 -32.753 7.655 1.00 0.00 C ATOM 680 O LYS A 45 -21.886 -32.679 8.058 1.00 0.00 O ATOM 681 CB LYS A 45 -21.370 -34.873 6.495 1.00 0.00 C ATOM 682 CG LYS A 45 -20.975 -36.284 6.092 1.00 0.00 C ATOM 683 CD LYS A 45 -22.004 -36.907 5.164 1.00 0.00 C ATOM 684 CE LYS A 45 -22.029 -38.422 5.296 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.164 -39.026 4.545 1.00 0.00 N ATOM 0 H LYS A 45 -18.420 -34.887 7.720 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.555 -33.763 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.138 -34.926 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.814 -34.370 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.003 -36.264 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.867 -36.901 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.991 -36.505 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.778 -36.634 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.090 -38.834 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.105 -38.694 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.146 -40.059 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.062 -38.652 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.078 -38.789 3.536 1.00 0.00 H new ATOM 699 N VAL A 46 -19.862 -31.746 7.746 1.00 0.00 N ATOM 700 CA VAL A 46 -20.239 -30.467 8.336 1.00 0.00 C ATOM 701 C VAL A 46 -19.105 -29.454 8.224 1.00 0.00 C ATOM 702 O VAL A 46 -17.934 -29.799 8.384 1.00 0.00 O ATOM 703 CB VAL A 46 -20.627 -30.626 9.818 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.389 -30.845 10.674 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.408 -29.411 10.297 1.00 0.00 C ATOM 0 H VAL A 46 -18.897 -31.791 7.419 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.102 -30.103 7.779 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.267 -31.503 9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.683 -30.955 11.718 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.874 -31.748 10.345 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.721 -29.989 10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.674 -29.540 11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.794 -28.517 10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.316 -29.304 9.703 1.00 0.00 H new ATOM 715 N ARG A 47 -19.461 -28.204 7.950 1.00 0.00 N ATOM 716 CA ARG A 47 -18.473 -27.140 7.816 1.00 0.00 C ATOM 717 C ARG A 47 -18.189 -26.489 9.166 1.00 0.00 C ATOM 718 O ARG A 47 -19.064 -26.419 10.030 1.00 0.00 O ATOM 719 CB ARG A 47 -18.960 -26.085 6.821 1.00 0.00 C ATOM 720 CG ARG A 47 -19.419 -26.666 5.493 1.00 0.00 C ATOM 721 CD ARG A 47 -19.221 -25.677 4.355 1.00 0.00 C ATOM 722 NE ARG A 47 -20.490 -25.155 3.856 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.218 -25.760 2.923 1.00 0.00 C ATOM 724 NH1 ARG A 47 -20.804 -26.901 2.391 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.362 -25.222 2.521 1.00 0.00 N ATOM 0 H ARG A 47 -20.426 -27.903 7.816 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.549 -27.581 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.784 -25.528 7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.156 -25.372 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.864 -27.580 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.472 -26.941 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.599 -24.850 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.684 -26.164 3.541 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.837 -24.278 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.925 -27.317 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -21.365 -27.363 1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.683 -24.344 2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.920 -25.687 1.805 1.00 0.00 H new ATOM 739 N HIS A 48 -16.961 -26.013 9.341 1.00 0.00 N ATOM 740 CA HIS A 48 -16.561 -25.367 10.587 1.00 0.00 C ATOM 741 C HIS A 48 -15.697 -24.140 10.309 1.00 0.00 C ATOM 742 O HIS A 48 -14.994 -24.078 9.300 1.00 0.00 O ATOM 743 CB HIS A 48 -15.799 -26.351 11.475 1.00 0.00 C ATOM 744 CG HIS A 48 -15.785 -27.751 10.942 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.580 -28.757 11.448 1.00 0.00 N ATOM 746 CD2 HIS A 48 -15.065 -28.309 9.941 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.350 -29.874 10.782 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.435 -29.630 9.861 1.00 0.00 N ATOM 0 H HIS A 48 -16.225 -26.062 8.636 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.463 -25.045 11.107 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.772 -26.004 11.590 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.247 -26.354 12.469 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.242 -28.655 12.217 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.336 -27.809 9.321 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.829 -30.826 10.960 1.00 0.00 H new ATOM 756 N LEU A 49 -15.756 -23.166 11.211 1.00 0.00 N ATOM 757 CA LEU A 49 -14.979 -21.940 11.063 1.00 0.00 C ATOM 758 C LEU A 49 -13.556 -22.132 11.576 1.00 0.00 C ATOM 759 O LEU A 49 -13.344 -22.684 12.656 1.00 0.00 O ATOM 760 CB LEU A 49 -15.655 -20.792 11.816 1.00 0.00 C ATOM 761 CG LEU A 49 -15.222 -19.381 11.415 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.446 -19.155 9.928 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.973 -18.340 12.234 1.00 0.00 C ATOM 0 H LEU A 49 -16.333 -23.201 12.051 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.932 -21.694 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.732 -20.875 11.673 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.464 -20.920 12.881 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.157 -19.277 11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.132 -18.146 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.863 -19.878 9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.504 -19.279 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.653 -17.342 11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -17.044 -18.444 12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.761 -18.488 13.293 1.00 0.00 H new ATOM 775 N ILE A 50 -12.584 -21.670 10.796 1.00 0.00 N ATOM 776 CA ILE A 50 -11.181 -21.787 11.174 1.00 0.00 C ATOM 777 C ILE A 50 -10.584 -20.423 11.501 1.00 0.00 C ATOM 778 O ILE A 50 -10.142 -20.181 12.624 1.00 0.00 O ATOM 779 CB ILE A 50 -10.351 -22.444 10.056 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.234 -22.741 8.842 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.694 -23.719 10.563 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.485 -23.374 7.690 1.00 0.00 C ATOM 0 H ILE A 50 -12.742 -21.211 9.899 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.144 -22.418 12.062 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.567 -21.750 9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.044 -23.404 9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.692 -21.813 8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.111 -24.172 9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.037 -23.482 11.400 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.463 -24.418 10.892 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.173 -23.556 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.692 -22.703 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.049 -24.319 8.015 1.00 0.00 H new ATOM 794 N ALA A 51 -10.574 -19.535 10.513 1.00 0.00 N ATOM 795 CA ALA A 51 -10.034 -18.194 10.696 1.00 0.00 C ATOM 796 C ALA A 51 -11.099 -17.133 10.435 1.00 0.00 C ATOM 797 O ALA A 51 -11.450 -16.862 9.287 1.00 0.00 O ATOM 798 CB ALA A 51 -8.836 -17.977 9.784 1.00 0.00 C ATOM 0 H ALA A 51 -10.934 -19.720 9.577 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.709 -18.099 11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.444 -16.971 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.062 -18.707 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.143 -18.097 8.745 1.00 0.00 H new ATOM 804 N ASP A 52 -11.609 -16.537 11.507 1.00 0.00 N ATOM 805 CA ASP A 52 -12.633 -15.505 11.393 1.00 0.00 C ATOM 806 C ASP A 52 -12.004 -14.117 11.350 1.00 0.00 C ATOM 807 O ASP A 52 -11.467 -13.635 12.349 1.00 0.00 O ATOM 808 CB ASP A 52 -13.613 -15.599 12.564 1.00 0.00 C ATOM 809 CG ASP A 52 -14.646 -14.489 12.544 1.00 0.00 C ATOM 810 OD1 ASP A 52 -14.293 -13.344 12.894 1.00 0.00 O ATOM 811 OD2 ASP A 52 -15.808 -14.766 12.180 1.00 0.00 O ATOM 0 H ASP A 52 -11.330 -16.751 12.465 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.175 -15.667 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.120 -16.564 12.534 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.059 -15.559 13.502 1.00 0.00 H new ATOM 816 N HIS A 53 -12.072 -13.477 10.187 1.00 0.00 N ATOM 817 CA HIS A 53 -11.508 -12.144 10.013 1.00 0.00 C ATOM 818 C HIS A 53 -12.598 -11.134 9.667 1.00 0.00 C ATOM 819 O HIS A 53 -12.407 -9.925 9.810 1.00 0.00 O ATOM 820 CB HIS A 53 -10.441 -12.156 8.917 1.00 0.00 C ATOM 821 CG HIS A 53 -9.045 -12.016 9.439 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.485 -10.801 9.774 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.094 -12.947 9.685 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.250 -10.990 10.201 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.988 -12.284 10.158 1.00 0.00 N ATOM 0 H HIS A 53 -12.512 -13.861 9.351 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.047 -11.847 10.955 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.519 -13.087 8.356 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.642 -11.345 8.217 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.187 -14.013 9.537 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.570 -10.218 10.529 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.107 -12.720 10.432 1.00 0.00 H new ATOM 833 N LEU A 54 -13.739 -11.636 9.210 1.00 0.00 N ATOM 834 CA LEU A 54 -14.860 -10.778 8.842 1.00 0.00 C ATOM 835 C LEU A 54 -15.921 -10.768 9.938 1.00 0.00 C ATOM 836 O LEU A 54 -16.878 -9.996 9.885 1.00 0.00 O ATOM 837 CB LEU A 54 -15.477 -11.248 7.524 1.00 0.00 C ATOM 838 CG LEU A 54 -14.512 -11.404 6.349 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.189 -12.122 5.192 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.991 -10.045 5.903 1.00 0.00 C ATOM 0 H LEU A 54 -13.913 -12.633 9.085 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.483 -9.763 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.966 -12.207 7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.255 -10.540 7.238 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.665 -12.007 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.486 -12.223 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.512 -13.111 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.055 -11.547 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.305 -10.175 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.827 -9.418 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.467 -9.567 6.730 1.00 0.00 H new ATOM 852 N LYS A 55 -15.744 -11.630 10.934 1.00 0.00 N ATOM 853 CA LYS A 55 -16.683 -11.720 12.046 1.00 0.00 C ATOM 854 C LYS A 55 -18.117 -11.831 11.539 1.00 0.00 C ATOM 855 O LYS A 55 -18.996 -11.081 11.966 1.00 0.00 O ATOM 856 CB LYS A 55 -16.545 -10.497 12.956 1.00 0.00 C ATOM 857 CG LYS A 55 -15.168 -10.356 13.581 1.00 0.00 C ATOM 858 CD LYS A 55 -15.120 -9.203 14.570 1.00 0.00 C ATOM 859 CE LYS A 55 -14.037 -9.412 15.617 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.748 -8.162 16.373 1.00 0.00 N ATOM 0 H LYS A 55 -14.958 -12.277 10.994 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.448 -12.618 12.617 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.767 -9.599 12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.290 -10.559 13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.901 -11.283 14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.427 -10.196 12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.936 -8.271 14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.088 -9.103 15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.349 -10.192 16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.126 -9.762 15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.005 -8.346 17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.426 -7.424 15.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.611 -7.841 16.857 1.00 0.00 H new ATOM 874 N ILE A 56 -18.347 -12.770 10.627 1.00 0.00 N ATOM 875 CA ILE A 56 -19.675 -12.979 10.065 1.00 0.00 C ATOM 876 C ILE A 56 -20.583 -13.702 11.054 1.00 0.00 C ATOM 877 O ILE A 56 -21.700 -13.261 11.325 1.00 0.00 O ATOM 878 CB ILE A 56 -19.612 -13.790 8.757 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.567 -13.193 7.811 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.978 -13.828 8.090 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.351 -14.010 6.557 1.00 0.00 C ATOM 0 H ILE A 56 -17.631 -13.398 10.262 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.086 -11.992 9.852 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.318 -14.812 8.995 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.876 -12.186 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.620 -13.099 8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.916 -14.405 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.698 -14.295 8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.300 -12.812 7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.598 -13.528 5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -18.012 -15.010 6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.288 -14.082 6.004 1.00 0.00 H new ATOM 893 N PHE A 57 -20.095 -14.815 11.593 1.00 0.00 N ATOM 894 CA PHE A 57 -20.862 -15.599 12.554 1.00 0.00 C ATOM 895 C PHE A 57 -20.773 -14.988 13.949 1.00 0.00 C ATOM 896 O PHE A 57 -21.508 -15.376 14.857 1.00 0.00 O ATOM 897 CB PHE A 57 -20.357 -17.043 12.584 1.00 0.00 C ATOM 898 CG PHE A 57 -20.163 -17.639 11.219 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.234 -18.182 10.527 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.910 -17.658 10.628 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.060 -18.731 9.271 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.730 -18.205 9.372 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.806 -18.743 8.693 1.00 0.00 C ATOM 0 H PHE A 57 -19.172 -15.194 11.380 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.906 -15.593 12.240 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.411 -17.077 13.124 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.065 -17.656 13.142 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.217 -18.176 10.975 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.065 -17.241 11.155 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.903 -19.150 8.742 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.749 -18.212 8.921 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.667 -19.172 7.712 1.00 0.00 H new ATOM 913 N HIS A 58 -19.867 -14.029 14.112 1.00 0.00 N ATOM 914 CA HIS A 58 -19.680 -13.363 15.397 1.00 0.00 C ATOM 915 C HIS A 58 -20.979 -12.713 15.865 1.00 0.00 C ATOM 916 O HIS A 58 -21.245 -12.629 17.064 1.00 0.00 O ATOM 917 CB HIS A 58 -18.577 -12.310 15.294 1.00 0.00 C ATOM 918 CG HIS A 58 -18.137 -11.771 16.620 1.00 0.00 C ATOM 919 ND1 HIS A 58 -16.934 -12.104 17.205 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.747 -10.918 17.476 1.00 0.00 C ATOM 921 CE1 HIS A 58 -16.823 -11.480 18.364 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.910 -10.753 18.552 1.00 0.00 N ATOM 0 H HIS A 58 -19.251 -13.696 13.371 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.386 -14.115 16.129 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.717 -12.745 14.785 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.930 -11.485 14.675 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -19.712 -10.454 17.338 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -15.986 -11.552 19.043 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -18.097 -10.165 19.364 1.00 0.00 H new ATOM 930 N ASP A 59 -21.783 -12.256 14.911 1.00 0.00 N ATOM 931 CA ASP A 59 -23.054 -11.614 15.226 1.00 0.00 C ATOM 932 C ASP A 59 -24.168 -12.648 15.357 1.00 0.00 C ATOM 933 O ASP A 59 -25.341 -12.299 15.496 1.00 0.00 O ATOM 934 CB ASP A 59 -23.415 -10.592 14.147 1.00 0.00 C ATOM 935 CG ASP A 59 -22.190 -10.001 13.477 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.660 -10.637 12.541 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.762 -8.902 13.887 1.00 0.00 O ATOM 0 H ASP A 59 -21.577 -12.318 13.914 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.946 -11.100 16.181 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.043 -11.069 13.394 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.004 -9.790 14.592 1.00 0.00 H new ATOM 942 N HIS A 60 -23.793 -13.923 15.311 1.00 0.00 N ATOM 943 CA HIS A 60 -24.760 -15.009 15.423 1.00 0.00 C ATOM 944 C HIS A 60 -26.094 -14.616 14.794 1.00 0.00 C ATOM 945 O HIS A 60 -27.151 -14.771 15.407 1.00 0.00 O ATOM 946 CB HIS A 60 -24.967 -15.385 16.891 1.00 0.00 C ATOM 947 CG HIS A 60 -25.136 -14.203 17.795 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.174 -13.348 17.949 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.162 -13.784 18.676 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.812 -12.438 18.912 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.594 -12.724 19.335 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.827 -14.229 15.197 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.365 -15.871 14.886 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.847 -16.023 16.973 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.114 -15.972 17.231 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.196 -14.250 18.807 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.424 -11.621 19.266 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.075 -12.213 20.049 1.00 0.00 H new ATOM 959 N HIS A 61 -26.037 -14.107 13.568 1.00 0.00 N ATOM 960 CA HIS A 61 -27.240 -13.692 12.855 1.00 0.00 C ATOM 961 C HIS A 61 -27.198 -14.156 11.402 1.00 0.00 C ATOM 962 O HIS A 61 -28.044 -13.773 10.593 1.00 0.00 O ATOM 963 CB HIS A 61 -27.393 -12.171 12.913 1.00 0.00 C ATOM 964 CG HIS A 61 -28.400 -11.709 13.920 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.593 -11.111 13.572 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.388 -11.760 15.273 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.270 -10.814 14.667 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.561 -11.198 15.712 1.00 0.00 N ATOM 0 H HIS A 61 -25.171 -13.972 13.047 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.099 -14.155 13.341 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.426 -11.725 13.147 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.682 -11.805 11.928 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.602 -12.167 15.892 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.239 -10.338 14.701 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.840 -11.094 16.688 1.00 0.00 H new ATOM 976 N VAL A 62 -26.209 -14.982 11.078 1.00 0.00 N ATOM 977 CA VAL A 62 -26.058 -15.499 9.723 1.00 0.00 C ATOM 978 C VAL A 62 -25.737 -16.990 9.736 1.00 0.00 C ATOM 979 O VAL A 62 -24.818 -17.433 10.426 1.00 0.00 O ATOM 980 CB VAL A 62 -24.948 -14.753 8.959 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.612 -14.912 9.667 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.863 -15.252 7.524 1.00 0.00 C ATOM 0 H VAL A 62 -25.500 -15.308 11.735 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.009 -15.340 9.215 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.196 -13.692 8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.840 -14.378 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.683 -14.503 10.675 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.353 -15.969 9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.074 -14.715 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.639 -16.319 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.815 -15.081 7.022 1.00 0.00 H new ATOM 992 N THR A 63 -26.501 -17.761 8.968 1.00 0.00 N ATOM 993 CA THR A 63 -26.299 -19.202 8.891 1.00 0.00 C ATOM 994 C THR A 63 -25.335 -19.563 7.766 1.00 0.00 C ATOM 995 O THR A 63 -25.085 -18.759 6.868 1.00 0.00 O ATOM 996 CB THR A 63 -27.630 -19.945 8.670 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.410 -21.359 8.681 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.265 -19.536 7.349 1.00 0.00 C ATOM 0 H THR A 63 -27.265 -17.411 8.391 1.00 0.00 H new ATOM 0 HA THR A 63 -25.872 -19.513 9.845 1.00 0.00 H new ATOM 0 HB THR A 63 -28.309 -19.677 9.480 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.262 -21.824 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.204 -20.074 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.459 -18.463 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.588 -19.778 6.530 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.797 -20.777 7.821 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.862 -21.245 6.806 1.00 0.00 C ATOM 1008 C VAL A 64 -24.469 -21.144 5.411 1.00 0.00 C ATOM 1009 O VAL A 64 -23.758 -20.946 4.427 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.436 -22.703 7.064 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -24.597 -23.652 6.809 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.238 -23.068 6.201 1.00 0.00 C ATOM 0 H VAL A 64 -24.993 -21.454 8.558 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.984 -20.602 6.865 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.144 -22.798 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -24.277 -24.677 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.424 -23.403 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.923 -23.557 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.950 -24.101 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.500 -22.957 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -21.404 -22.408 6.439 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.789 -21.282 5.335 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.493 -21.207 4.060 1.00 0.00 C ATOM 1024 C GLU A 65 -26.406 -19.801 3.473 1.00 0.00 C ATOM 1025 O GLU A 65 -26.264 -19.631 2.263 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.958 -21.609 4.236 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.149 -22.861 5.075 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.567 -23.396 5.011 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.059 -23.641 3.890 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -30.184 -23.570 6.083 1.00 0.00 O ATOM 0 H GLU A 65 -26.392 -21.446 6.141 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.015 -21.901 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.499 -20.785 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.403 -21.769 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.458 -23.632 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.894 -22.641 6.112 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.494 -18.798 4.341 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.428 -17.407 3.909 1.00 0.00 C ATOM 1039 C GLN A 66 -25.048 -17.076 3.349 1.00 0.00 C ATOM 1040 O GLN A 66 -24.918 -16.268 2.429 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.755 -16.472 5.075 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.246 -16.315 5.328 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.554 -15.235 6.346 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.832 -15.524 7.511 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.507 -13.981 5.912 1.00 0.00 N ATOM 0 H GLN A 66 -26.611 -18.923 5.347 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.165 -17.263 3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.279 -16.852 5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.323 -15.491 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.747 -16.078 4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.654 -17.264 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.272 -13.787 4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.705 -13.212 6.552 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.022 -17.705 3.909 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.650 -17.478 3.466 1.00 0.00 C ATOM 1056 C LEU A 67 -22.505 -17.769 1.976 1.00 0.00 C ATOM 1057 O LEU A 67 -21.890 -16.997 1.240 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.683 -18.353 4.265 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.134 -17.742 5.555 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.048 -16.725 5.243 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.255 -17.098 6.359 1.00 0.00 C ATOM 0 H LEU A 67 -24.113 -18.377 4.671 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.407 -16.429 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.190 -19.285 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.842 -18.611 3.622 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.695 -18.540 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.669 -16.301 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.234 -17.215 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.462 -15.930 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.846 -16.668 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.723 -16.312 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.000 -17.852 6.614 1.00 0.00 H new ATOM 1073 N MET A 68 -23.075 -18.887 1.538 1.00 0.00 N ATOM 1074 CA MET A 68 -23.012 -19.277 0.134 1.00 0.00 C ATOM 1075 C MET A 68 -23.923 -18.399 -0.717 1.00 0.00 C ATOM 1076 O MET A 68 -23.604 -18.084 -1.864 1.00 0.00 O ATOM 1077 CB MET A 68 -23.406 -20.747 -0.026 1.00 0.00 C ATOM 1078 CG MET A 68 -22.377 -21.717 0.532 1.00 0.00 C ATOM 1079 SD MET A 68 -22.503 -23.360 -0.198 1.00 0.00 S ATOM 1080 CE MET A 68 -24.133 -23.853 0.356 1.00 0.00 C ATOM 0 H MET A 68 -23.585 -19.538 2.134 1.00 0.00 H new ATOM 0 HA MET A 68 -21.986 -19.143 -0.209 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.360 -20.915 0.474 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.558 -20.961 -1.084 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.377 -21.321 0.355 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.503 -21.793 1.612 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.254 -24.928 0.220 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.249 -23.606 1.411 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.890 -23.326 -0.225 1.00 0.00 H new ATOM 1090 N LYS A 69 -25.058 -18.006 -0.148 1.00 0.00 N ATOM 1091 CA LYS A 69 -26.015 -17.162 -0.854 1.00 0.00 C ATOM 1092 C LYS A 69 -25.391 -15.820 -1.222 1.00 0.00 C ATOM 1093 O LYS A 69 -25.685 -15.256 -2.275 1.00 0.00 O ATOM 1094 CB LYS A 69 -27.260 -16.938 0.007 1.00 0.00 C ATOM 1095 CG LYS A 69 -28.139 -18.170 0.138 1.00 0.00 C ATOM 1096 CD LYS A 69 -28.900 -18.452 -1.147 1.00 0.00 C ATOM 1097 CE LYS A 69 -30.014 -17.440 -1.368 1.00 0.00 C ATOM 1098 NZ LYS A 69 -30.985 -17.901 -2.398 1.00 0.00 N ATOM 0 H LYS A 69 -25.337 -18.259 0.800 1.00 0.00 H new ATOM 0 HA LYS A 69 -26.302 -17.673 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -26.951 -16.615 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.848 -16.127 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -27.523 -19.032 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.845 -18.029 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.212 -18.427 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -29.322 -19.456 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -30.537 -17.265 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -29.583 -16.487 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -31.729 -17.184 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -30.491 -18.044 -3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -31.415 -18.797 -2.093 1.00 0.00 H new ATOM 1112 N ALA A 70 -24.527 -15.315 -0.348 1.00 0.00 N ATOM 1113 CA ALA A 70 -23.858 -14.042 -0.583 1.00 0.00 C ATOM 1114 C ALA A 70 -22.796 -14.171 -1.670 1.00 0.00 C ATOM 1115 O ALA A 70 -22.440 -13.191 -2.322 1.00 0.00 O ATOM 1116 CB ALA A 70 -23.236 -13.526 0.707 1.00 0.00 C ATOM 0 H ALA A 70 -24.274 -15.769 0.530 1.00 0.00 H new ATOM 0 HA ALA A 70 -24.605 -13.326 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -22.740 -12.574 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -24.015 -13.385 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -22.507 -14.248 1.074 1.00 0.00 H new ATOM 1122 N ASN A 71 -22.294 -15.387 -1.858 1.00 0.00 N ATOM 1123 CA ASN A 71 -21.271 -15.645 -2.865 1.00 0.00 C ATOM 1124 C ASN A 71 -21.906 -15.967 -4.214 1.00 0.00 C ATOM 1125 O ASN A 71 -21.430 -15.523 -5.258 1.00 0.00 O ATOM 1126 CB ASN A 71 -20.370 -16.799 -2.423 1.00 0.00 C ATOM 1127 CG ASN A 71 -19.107 -16.317 -1.736 1.00 0.00 C ATOM 1128 OD1 ASN A 71 -18.003 -16.748 -2.068 1.00 0.00 O ATOM 1129 ND2 ASN A 71 -19.266 -15.418 -0.772 1.00 0.00 N ATOM 0 H ASN A 71 -22.579 -16.209 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 71 -20.667 -14.744 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -20.923 -17.449 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -20.101 -17.399 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -18.453 -15.056 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -20.201 -15.089 -0.530 1.00 0.00 H new ATOM 1136 N GLY A 72 -22.985 -16.744 -4.184 1.00 0.00 N ATOM 1137 CA GLY A 72 -23.668 -17.113 -5.411 1.00 0.00 C ATOM 1138 C GLY A 72 -23.105 -18.377 -6.030 1.00 0.00 C ATOM 1139 O GLY A 72 -23.094 -18.524 -7.252 1.00 0.00 O ATOM 0 H GLY A 72 -23.398 -17.124 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.729 -17.255 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -23.589 -16.295 -6.127 1.00 0.00 H new ATOM 1143 N GLU A 73 -22.635 -19.289 -5.186 1.00 0.00 N ATOM 1144 CA GLU A 73 -22.066 -20.546 -5.659 1.00 0.00 C ATOM 1145 C GLU A 73 -23.071 -21.311 -6.514 1.00 0.00 C ATOM 1146 O GLU A 73 -24.189 -21.586 -6.078 1.00 0.00 O ATOM 1147 CB GLU A 73 -21.625 -21.409 -4.475 1.00 0.00 C ATOM 1148 CG GLU A 73 -20.268 -21.022 -3.911 1.00 0.00 C ATOM 1149 CD GLU A 73 -19.141 -21.240 -4.900 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -18.862 -20.318 -5.694 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -18.537 -22.333 -4.881 1.00 0.00 O ATOM 0 H GLU A 73 -22.637 -19.182 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 73 -21.196 -20.313 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.372 -21.335 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.595 -22.453 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -20.288 -19.973 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -20.074 -21.605 -3.010 1.00 0.00 H new ATOM 1158 N GLN A 74 -22.665 -21.650 -7.734 1.00 0.00 N ATOM 1159 CA GLN A 74 -23.531 -22.382 -8.651 1.00 0.00 C ATOM 1160 C GLN A 74 -23.006 -23.794 -8.885 1.00 0.00 C ATOM 1161 O GLN A 74 -23.780 -24.740 -9.031 1.00 0.00 O ATOM 1162 CB GLN A 74 -23.643 -21.638 -9.983 1.00 0.00 C ATOM 1163 CG GLN A 74 -22.333 -21.565 -10.750 1.00 0.00 C ATOM 1164 CD GLN A 74 -22.345 -20.496 -11.825 1.00 0.00 C ATOM 1165 OE1 GLN A 74 -23.188 -19.598 -11.814 1.00 0.00 O ATOM 1166 NE2 GLN A 74 -21.407 -20.585 -12.760 1.00 0.00 N ATOM 0 H GLN A 74 -21.743 -21.430 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 74 -24.520 -22.453 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -24.391 -22.131 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -24.002 -20.626 -9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -21.519 -21.365 -10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -22.130 -22.533 -11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.728 -21.346 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -21.365 -19.893 -13.508 1.00 0.00 H new ATOM 1175 N VAL A 75 -21.684 -23.930 -8.921 1.00 0.00 N ATOM 1176 CA VAL A 75 -21.054 -25.227 -9.137 1.00 0.00 C ATOM 1177 C VAL A 75 -21.522 -26.244 -8.102 1.00 0.00 C ATOM 1178 O VAL A 75 -21.775 -25.900 -6.948 1.00 0.00 O ATOM 1179 CB VAL A 75 -19.518 -25.122 -9.080 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -19.069 -24.597 -7.725 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -18.881 -26.471 -9.376 1.00 0.00 C ATOM 0 H VAL A 75 -21.029 -23.157 -8.803 1.00 0.00 H new ATOM 0 HA VAL A 75 -21.351 -25.561 -10.131 1.00 0.00 H new ATOM 0 HB VAL A 75 -19.190 -24.416 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -17.981 -24.530 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -19.497 -23.609 -7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.406 -25.276 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -17.796 -26.379 -9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.214 -27.200 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.176 -26.802 -10.372 1.00 0.00 H new ATOM 1191 N SER A 76 -21.635 -27.500 -8.524 1.00 0.00 N ATOM 1192 CA SER A 76 -22.075 -28.568 -7.635 1.00 0.00 C ATOM 1193 C SER A 76 -20.933 -29.536 -7.340 1.00 0.00 C ATOM 1194 O SER A 76 -20.888 -30.153 -6.277 1.00 0.00 O ATOM 1195 CB SER A 76 -23.252 -29.324 -8.255 1.00 0.00 C ATOM 1196 OG SER A 76 -23.926 -30.105 -7.283 1.00 0.00 O ATOM 0 H SER A 76 -21.428 -27.802 -9.476 1.00 0.00 H new ATOM 0 HA SER A 76 -22.396 -28.116 -6.697 1.00 0.00 H new ATOM 0 HB2 SER A 76 -23.948 -28.615 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.892 -29.968 -9.058 1.00 0.00 H new ATOM 0 HG SER A 76 -24.675 -30.577 -7.704 1.00 0.00 H new ATOM 1202 N GLN A 77 -20.013 -29.662 -8.291 1.00 0.00 N ATOM 1203 CA GLN A 77 -18.871 -30.555 -8.134 1.00 0.00 C ATOM 1204 C GLN A 77 -17.792 -29.912 -7.269 1.00 0.00 C ATOM 1205 O GLN A 77 -16.676 -29.671 -7.729 1.00 0.00 O ATOM 1206 CB GLN A 77 -18.293 -30.922 -9.502 1.00 0.00 C ATOM 1207 CG GLN A 77 -19.180 -31.860 -10.305 1.00 0.00 C ATOM 1208 CD GLN A 77 -19.532 -33.124 -9.545 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -18.795 -33.555 -8.658 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -20.665 -33.725 -9.890 1.00 0.00 N ATOM 0 H GLN A 77 -20.036 -29.158 -9.177 1.00 0.00 H new ATOM 0 HA GLN A 77 -19.216 -31.462 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -18.130 -30.009 -10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -17.318 -31.388 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -20.097 -31.339 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -18.674 -32.127 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -21.245 -33.332 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -20.955 -34.579 -9.414 1.00 0.00 H new ATOM 1219 N ASP A 78 -18.133 -29.636 -6.015 1.00 0.00 N ATOM 1220 CA ASP A 78 -17.193 -29.022 -5.085 1.00 0.00 C ATOM 1221 C ASP A 78 -17.283 -29.675 -3.709 1.00 0.00 C ATOM 1222 O ASP A 78 -18.326 -30.211 -3.332 1.00 0.00 O ATOM 1223 CB ASP A 78 -17.464 -27.521 -4.969 1.00 0.00 C ATOM 1224 CG ASP A 78 -16.372 -26.792 -4.212 1.00 0.00 C ATOM 1225 OD1 ASP A 78 -15.193 -27.184 -4.346 1.00 0.00 O ATOM 1226 OD2 ASP A 78 -16.695 -25.828 -3.486 1.00 0.00 O ATOM 0 H ASP A 78 -19.053 -29.828 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.186 -29.173 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.557 -27.094 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.418 -27.365 -4.465 1.00 0.00 H new ATOM 1231 N VAL A 79 -16.184 -29.629 -2.964 1.00 0.00 N ATOM 1232 CA VAL A 79 -16.139 -30.216 -1.630 1.00 0.00 C ATOM 1233 C VAL A 79 -17.144 -29.546 -0.700 1.00 0.00 C ATOM 1234 O VAL A 79 -17.856 -30.215 0.047 1.00 0.00 O ATOM 1235 CB VAL A 79 -14.731 -30.104 -1.014 1.00 0.00 C ATOM 1236 CG1 VAL A 79 -14.702 -30.736 0.369 1.00 0.00 C ATOM 1237 CG2 VAL A 79 -13.698 -30.748 -1.926 1.00 0.00 C ATOM 0 H VAL A 79 -15.312 -29.191 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.397 -31.269 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.481 -29.048 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.700 -30.648 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.413 -30.225 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.972 -31.789 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.709 -30.660 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -13.941 -31.802 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.702 -30.245 -2.893 1.00 0.00 H new ATOM 1247 N GLY A 80 -17.196 -28.218 -0.752 1.00 0.00 N ATOM 1248 CA GLY A 80 -18.117 -27.478 0.090 1.00 0.00 C ATOM 1249 C GLY A 80 -17.470 -26.269 0.735 1.00 0.00 C ATOM 1250 O GLY A 80 -18.132 -25.261 0.984 1.00 0.00 O ATOM 0 H GLY A 80 -16.616 -27.642 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.970 -27.155 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.503 -28.137 0.867 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.173 -26.368 1.006 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.436 -25.273 1.626 1.00 0.00 C ATOM 1256 C ASP A 81 -15.577 -23.991 0.810 1.00 0.00 C ATOM 1257 O ASP A 81 -15.696 -24.033 -0.415 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.958 -25.641 1.768 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.308 -25.954 0.434 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -13.735 -26.930 -0.218 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.373 -25.224 0.043 1.00 0.00 O ATOM 0 H ASP A 81 -15.611 -27.195 0.806 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.857 -25.100 2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.426 -24.817 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.863 -26.504 2.426 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.565 -22.854 1.497 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.693 -21.560 0.836 1.00 0.00 C ATOM 1268 C LEU A 82 -14.762 -20.531 1.469 1.00 0.00 C ATOM 1269 O LEU A 82 -14.442 -20.616 2.654 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.140 -21.069 0.910 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.615 -20.202 -0.256 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.126 -20.291 -0.407 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -17.181 -18.757 -0.058 1.00 0.00 C ATOM 0 H LEU A 82 -15.468 -22.802 2.511 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.410 -21.684 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.794 -21.938 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.263 -20.501 1.832 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.157 -20.576 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.446 -19.667 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.412 -21.326 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.604 -19.944 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.528 -18.155 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -17.610 -18.372 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.094 -18.708 -0.001 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.331 -19.560 0.670 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.437 -18.514 1.153 1.00 0.00 C ATOM 1287 C GLU A 83 -14.062 -17.135 0.966 1.00 0.00 C ATOM 1288 O GLU A 83 -14.721 -16.871 -0.040 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.095 -18.582 0.421 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.229 -18.776 -1.080 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.372 -20.235 -1.468 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.437 -21.016 -1.193 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -13.418 -20.596 -2.048 1.00 0.00 O ATOM 0 H GLU A 83 -14.586 -19.476 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.271 -18.676 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.540 -17.664 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.507 -19.402 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.096 -18.222 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.355 -18.356 -1.577 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.851 -16.259 1.942 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.394 -14.907 1.887 1.00 0.00 C ATOM 1302 C PHE A 84 -13.306 -13.872 2.157 1.00 0.00 C ATOM 1303 O PHE A 84 -12.616 -13.933 3.174 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.528 -14.748 2.902 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.506 -15.887 2.891 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.264 -17.033 3.632 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.668 -15.813 2.140 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.163 -18.083 3.623 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.571 -16.860 2.127 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.318 -17.996 2.870 1.00 0.00 C ATOM 0 H PHE A 84 -13.308 -16.461 2.781 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.787 -14.741 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.101 -14.656 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.061 -13.820 2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.363 -17.106 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.871 -14.926 1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -16.963 -18.971 4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.473 -16.789 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.022 -18.815 2.863 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.159 -12.923 1.238 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.154 -11.875 1.376 1.00 0.00 C ATOM 1322 C GLU A 85 -12.779 -10.588 1.906 1.00 0.00 C ATOM 1323 O GLU A 85 -12.147 -9.841 2.654 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.474 -11.609 0.031 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.118 -10.935 0.157 1.00 0.00 C ATOM 1326 CD GLU A 85 -10.151 -9.476 -0.255 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -10.344 -9.203 -1.457 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -9.983 -8.608 0.627 1.00 0.00 O ATOM 0 H GLU A 85 -13.723 -12.858 0.390 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.406 -12.217 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.353 -12.554 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.126 -10.983 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.774 -11.010 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.394 -11.467 -0.460 1.00 0.00 H new ATOM 1335 N ASP A 86 -14.023 -10.336 1.513 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.734 -9.140 1.949 1.00 0.00 C ATOM 1337 C ASP A 86 -16.243 -9.340 1.851 1.00 0.00 C ATOM 1338 O ASP A 86 -16.815 -9.307 0.761 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.312 -7.934 1.107 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.388 -6.633 1.881 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.545 -6.426 2.778 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -15.290 -5.821 1.588 1.00 0.00 O ATOM 0 H ASP A 86 -14.559 -10.944 0.894 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.476 -8.954 2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.293 -8.082 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.951 -7.868 0.227 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.883 -9.548 2.998 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.325 -9.753 3.041 1.00 0.00 C ATOM 1349 C ILE A 87 -19.061 -8.640 2.303 1.00 0.00 C ATOM 1350 O ILE A 87 -18.563 -7.523 2.157 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.840 -9.821 4.491 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.265 -8.667 5.314 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.480 -11.159 5.119 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.853 -8.565 6.704 1.00 0.00 C ATOM 0 H ILE A 87 -16.425 -9.579 3.909 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.524 -10.705 2.548 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.926 -9.728 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.185 -8.791 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.441 -7.731 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.851 -11.192 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.934 -11.965 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.397 -11.280 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.399 -7.725 7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.930 -8.410 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.654 -9.486 7.252 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.277 -8.948 1.828 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.110 -7.986 1.100 1.00 0.00 C ATOM 1368 C PRO A 88 -21.636 -6.876 2.002 1.00 0.00 C ATOM 1369 O PRO A 88 -21.216 -6.745 3.151 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.265 -8.843 0.576 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.344 -9.992 1.521 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.933 -10.259 1.966 1.00 0.00 C ATOM 0 HA PRO A 88 -20.552 -7.474 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.199 -8.281 0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.077 -9.181 -0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.983 -9.755 2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.772 -10.868 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.897 -10.620 2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.453 -11.016 1.346 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.558 -6.078 1.474 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.144 -4.979 2.233 1.00 0.00 C ATOM 1382 C ASP A 89 -24.514 -5.366 2.780 1.00 0.00 C ATOM 1383 O ASP A 89 -24.995 -4.778 3.749 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.265 -3.733 1.354 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.309 -3.890 0.267 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.219 -4.867 -0.507 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.217 -3.037 0.189 1.00 0.00 O ATOM 0 H ASP A 89 -22.916 -6.172 0.523 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.487 -4.759 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.520 -2.876 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -22.299 -3.519 0.897 1.00 0.00 H new ATOM 1392 N SER A 90 -25.138 -6.357 2.152 1.00 0.00 N ATOM 1393 CA SER A 90 -26.456 -6.819 2.573 1.00 0.00 C ATOM 1394 C SER A 90 -26.369 -7.577 3.894 1.00 0.00 C ATOM 1395 O SER A 90 -27.315 -7.585 4.683 1.00 0.00 O ATOM 1396 CB SER A 90 -27.073 -7.715 1.497 1.00 0.00 C ATOM 1397 OG SER A 90 -26.223 -8.807 1.194 1.00 0.00 O ATOM 0 H SER A 90 -24.753 -6.856 1.350 1.00 0.00 H new ATOM 0 HA SER A 90 -27.092 -5.945 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 90 -28.039 -8.086 1.839 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.256 -7.132 0.595 1.00 0.00 H new ATOM 0 HG SER A 90 -26.641 -9.365 0.505 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.228 -8.215 4.129 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.015 -8.977 5.355 1.00 0.00 C ATOM 1405 C LEU A 91 -24.662 -8.053 6.516 1.00 0.00 C ATOM 1406 O LEU A 91 -25.311 -8.077 7.562 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.903 -10.008 5.151 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.205 -11.135 4.164 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.969 -11.992 3.937 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.363 -11.987 4.664 1.00 0.00 C ATOM 0 H LEU A 91 -24.436 -8.220 3.487 1.00 0.00 H new ATOM 0 HA LEU A 91 -25.943 -9.496 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.008 -9.485 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.666 -10.453 6.117 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.493 -10.690 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.203 -12.789 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.167 -11.374 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.650 -12.428 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.564 -12.784 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.104 -12.422 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.252 -11.365 4.773 1.00 0.00 H new ATOM 1422 N LYS A 92 -23.630 -7.239 6.325 1.00 0.00 N ATOM 1423 CA LYS A 92 -23.191 -6.304 7.354 1.00 0.00 C ATOM 1424 C LYS A 92 -24.357 -5.455 7.851 1.00 0.00 C ATOM 1425 O LYS A 92 -24.386 -5.042 9.010 1.00 0.00 O ATOM 1426 CB LYS A 92 -22.083 -5.399 6.811 1.00 0.00 C ATOM 1427 CG LYS A 92 -22.571 -4.382 5.794 1.00 0.00 C ATOM 1428 CD LYS A 92 -21.423 -3.564 5.227 1.00 0.00 C ATOM 1429 CE LYS A 92 -21.921 -2.286 4.570 1.00 0.00 C ATOM 1430 NZ LYS A 92 -20.885 -1.216 4.583 1.00 0.00 N ATOM 0 H LYS A 92 -23.081 -7.208 5.466 1.00 0.00 H new ATOM 0 HA LYS A 92 -22.802 -6.882 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -21.615 -4.872 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -21.312 -6.018 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.088 -4.896 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.296 -3.717 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.723 -3.315 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -20.876 -4.160 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.213 -2.496 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -22.813 -1.934 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.263 -0.361 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -20.624 -0.997 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.043 -1.541 4.066 1.00 0.00 H new ATOM 1444 N ASP A 93 -25.316 -5.201 6.967 1.00 0.00 N ATOM 1445 CA ASP A 93 -26.486 -4.404 7.317 1.00 0.00 C ATOM 1446 C ASP A 93 -27.385 -5.157 8.293 1.00 0.00 C ATOM 1447 O ASP A 93 -27.986 -4.561 9.187 1.00 0.00 O ATOM 1448 CB ASP A 93 -27.273 -4.035 6.059 1.00 0.00 C ATOM 1449 CG ASP A 93 -28.424 -3.093 6.352 1.00 0.00 C ATOM 1450 OD1 ASP A 93 -29.538 -3.585 6.628 1.00 0.00 O ATOM 1451 OD2 ASP A 93 -28.211 -1.863 6.303 1.00 0.00 O ATOM 0 H ASP A 93 -25.306 -5.535 6.003 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.141 -3.490 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -26.602 -3.570 5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -27.659 -4.943 5.596 1.00 0.00 H new ATOM 1456 N VAL A 94 -27.473 -6.471 8.114 1.00 0.00 N ATOM 1457 CA VAL A 94 -28.299 -7.307 8.977 1.00 0.00 C ATOM 1458 C VAL A 94 -27.734 -7.361 10.392 1.00 0.00 C ATOM 1459 O VAL A 94 -28.458 -7.628 11.352 1.00 0.00 O ATOM 1460 CB VAL A 94 -28.415 -8.741 8.427 1.00 0.00 C ATOM 1461 CG1 VAL A 94 -29.312 -9.584 9.320 1.00 0.00 C ATOM 1462 CG2 VAL A 94 -28.936 -8.722 6.998 1.00 0.00 C ATOM 0 H VAL A 94 -26.982 -6.980 7.379 1.00 0.00 H new ATOM 0 HA VAL A 94 -29.290 -6.855 9.001 1.00 0.00 H new ATOM 0 HB VAL A 94 -27.423 -9.192 8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -29.382 -10.594 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -28.891 -9.624 10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -30.306 -9.139 9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -29.012 -9.743 6.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -29.920 -8.253 6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -28.250 -8.156 6.368 1.00 0.00 H new ATOM 1472 N LEU A 95 -26.436 -7.106 10.515 1.00 0.00 N ATOM 1473 CA LEU A 95 -25.772 -7.125 11.814 1.00 0.00 C ATOM 1474 C LEU A 95 -25.844 -5.756 12.482 1.00 0.00 C ATOM 1475 O LEU A 95 -25.733 -5.643 13.702 1.00 0.00 O ATOM 1476 CB LEU A 95 -24.312 -7.553 11.656 1.00 0.00 C ATOM 1477 CG LEU A 95 -24.042 -8.656 10.632 1.00 0.00 C ATOM 1478 CD1 LEU A 95 -22.548 -8.816 10.401 1.00 0.00 C ATOM 1479 CD2 LEU A 95 -24.657 -9.971 11.091 1.00 0.00 C ATOM 0 H LEU A 95 -25.822 -6.884 9.731 1.00 0.00 H new ATOM 0 HA LEU A 95 -26.288 -7.845 12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -23.726 -6.677 11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -23.946 -7.888 12.626 1.00 0.00 H new ATOM 0 HG LEU A 95 -24.506 -8.371 9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -22.375 -9.605 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.135 -7.879 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -22.061 -9.079 11.340 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -24.455 -10.745 10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -24.222 -10.262 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -25.734 -9.849 11.204 1.00 0.00 H new ATOM 1491 N GLY A 96 -26.032 -4.717 11.674 1.00 0.00 N ATOM 1492 CA GLY A 96 -26.117 -3.370 12.205 1.00 0.00 C ATOM 1493 C GLY A 96 -27.334 -2.622 11.697 1.00 0.00 C ATOM 1494 O GLY A 96 -27.210 -1.658 10.941 1.00 0.00 O ATOM 0 H GLY A 96 -26.127 -4.785 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -26.149 -3.413 13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -25.216 -2.819 11.935 1.00 0.00 H new ATOM 1498 N LYS A 97 -28.515 -3.068 12.111 1.00 0.00 N ATOM 1499 CA LYS A 97 -29.761 -2.436 11.694 1.00 0.00 C ATOM 1500 C LYS A 97 -30.431 -1.727 12.866 1.00 0.00 C ATOM 1501 O LYS A 97 -31.028 -0.663 12.702 1.00 0.00 O ATOM 1502 CB LYS A 97 -30.713 -3.479 11.103 1.00 0.00 C ATOM 1503 CG LYS A 97 -31.021 -4.627 12.049 1.00 0.00 C ATOM 1504 CD LYS A 97 -30.869 -5.973 11.360 1.00 0.00 C ATOM 1505 CE LYS A 97 -32.212 -6.517 10.899 1.00 0.00 C ATOM 1506 NZ LYS A 97 -32.672 -5.866 9.641 1.00 0.00 N ATOM 0 H LYS A 97 -28.635 -3.865 12.736 1.00 0.00 H new ATOM 0 HA LYS A 97 -29.525 -1.694 10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -31.646 -2.990 10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -30.276 -3.880 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -30.353 -4.580 12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -32.038 -4.524 12.429 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -30.203 -5.871 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -30.403 -6.683 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -32.134 -7.593 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -32.955 -6.361 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -33.591 -6.264 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -32.771 -4.842 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -31.976 -6.036 8.887 1.00 0.00 H new ATOM 1520 N TYR A 98 -30.327 -2.322 14.049 1.00 0.00 N ATOM 1521 CA TYR A 98 -30.924 -1.748 15.249 1.00 0.00 C ATOM 1522 C TYR A 98 -30.325 -0.378 15.553 1.00 0.00 C ATOM 1523 O TYR A 98 -31.048 0.586 15.806 1.00 0.00 O ATOM 1524 CB TYR A 98 -30.720 -2.682 16.443 1.00 0.00 C ATOM 1525 CG TYR A 98 -31.881 -3.620 16.684 1.00 0.00 C ATOM 1526 CD1 TYR A 98 -32.942 -3.248 17.500 1.00 0.00 C ATOM 1527 CD2 TYR A 98 -31.916 -4.878 16.096 1.00 0.00 C ATOM 1528 CE1 TYR A 98 -34.005 -4.102 17.723 1.00 0.00 C ATOM 1529 CE2 TYR A 98 -32.975 -5.738 16.313 1.00 0.00 C ATOM 1530 CZ TYR A 98 -34.017 -5.345 17.127 1.00 0.00 C ATOM 1531 OH TYR A 98 -35.074 -6.200 17.346 1.00 0.00 O ATOM 0 H TYR A 98 -29.835 -3.202 14.203 1.00 0.00 H new ATOM 0 HA TYR A 98 -31.992 -1.626 15.070 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -29.816 -3.270 16.283 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -30.556 -2.083 17.339 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -32.936 -2.275 17.968 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -31.102 -5.189 15.458 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -34.822 -3.797 18.361 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -32.987 -6.713 15.848 1.00 0.00 H new ATOM 0 HH TYR A 98 -34.928 -7.034 16.852 1.00 0.00 H new ATOM 1541 N ALA A 99 -28.999 -0.299 15.525 1.00 0.00 N ATOM 1542 CA ALA A 99 -28.302 0.952 15.794 1.00 0.00 C ATOM 1543 C ALA A 99 -28.610 1.994 14.724 1.00 0.00 C ATOM 1544 O ALA A 99 -28.681 1.677 13.536 1.00 0.00 O ATOM 1545 CB ALA A 99 -26.802 0.712 15.883 1.00 0.00 C ATOM 0 H ALA A 99 -28.386 -1.087 15.319 1.00 0.00 H new ATOM 0 HA ALA A 99 -28.655 1.337 16.751 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -26.294 1.655 16.084 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -26.593 0.008 16.689 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -26.443 0.300 14.940 1.00 0.00 H new ATOM 1551 N LYS A 100 -28.794 3.238 15.151 1.00 0.00 N ATOM 1552 CA LYS A 100 -29.094 4.328 14.230 1.00 0.00 C ATOM 1553 C LYS A 100 -28.164 5.513 14.467 1.00 0.00 C ATOM 1554 O LYS A 100 -27.469 5.576 15.481 1.00 0.00 O ATOM 1555 CB LYS A 100 -30.551 4.770 14.388 1.00 0.00 C ATOM 1556 CG LYS A 100 -30.958 5.877 13.431 1.00 0.00 C ATOM 1557 CD LYS A 100 -31.098 5.360 12.009 1.00 0.00 C ATOM 1558 CE LYS A 100 -29.812 5.548 11.219 1.00 0.00 C ATOM 1559 NZ LYS A 100 -29.766 6.873 10.540 1.00 0.00 N ATOM 0 H LYS A 100 -28.741 3.517 16.131 1.00 0.00 H new ATOM 0 HA LYS A 100 -28.939 3.965 13.214 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -31.202 3.909 14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -30.710 5.109 15.412 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -31.903 6.311 13.756 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -30.215 6.674 13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -31.363 4.303 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -31.913 5.883 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -28.957 5.453 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -29.723 4.756 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -28.874 6.962 10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -30.567 6.954 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -29.825 7.630 11.251 1.00 0.00 H new TER 1573 LYS A 100 HETATM 1574 ZN ZN A 101 -15.567 -34.212 11.218 1.00 0.00 ZN