USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=22 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 81 GLN : amide:sc= 0.586 K(o=1.2,f=-3.1) USER MOD Set 1.2: A 84 GLN : amide:sc= 0.622 K(o=1.2,f=-2.1) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.131 K(o=1.1,f=-5.2!) USER MOD Set 2.2: A 68 GLN : amide:sc= 0.988 K(o=1.1,f=-4.4!) USER MOD Set 3.1: A 5 MET CE :methyl 174:sc= 0 (180deg=-0.08) USER MOD Set 3.2: A 7 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 1 SER N :NH3+ -99:sc= 0.0623 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 4 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -29:sc= 0.162 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= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.105) USER MOD Single : A 35 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0074 K(o=-0.0074,f=-0.79) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 42 CYS SG : rot 140:sc= -0.312 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00486 USER MOD Single : A 47 HIS : no HE2:sc= 1.01 K(o=1.8,f=-5.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.98!) USER MOD Single : A 52 SER OG : rot -162:sc= 1.77 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= 0.823 K(o=0.82,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= -0.538 USER MOD Single : A 70 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 77 MET CE :methyl -113:sc= -0.151 (180deg=-0.822) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 176:sc= -0.0483 (180deg=-0.0728) USER MOD Single : A 82 SER OG : rot -19:sc= 0.101 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 134:sc= 0.00395 (180deg=-0.0732) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.757 9.856 -5.233 1.00 0.00 N ATOM 2 CA SER A 1 2.900 9.072 -6.471 1.00 0.00 C ATOM 3 C SER A 1 4.353 8.685 -6.713 1.00 0.00 C ATOM 4 O SER A 1 5.265 9.316 -6.181 1.00 0.00 O ATOM 5 CB SER A 1 2.358 9.858 -7.666 1.00 0.00 C ATOM 6 OG SER A 1 0.976 10.088 -7.478 1.00 0.00 O ATOM 0 H1 SER A 1 2.438 9.234 -4.463 1.00 0.00 H new ATOM 0 H2 SER A 1 3.674 10.277 -4.981 1.00 0.00 H new ATOM 0 H3 SER A 1 2.058 10.612 -5.379 1.00 0.00 H new ATOM 0 HA SER A 1 2.319 8.157 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.887 10.806 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.525 9.302 -8.589 1.00 0.00 H new ATOM 0 HG SER A 1 0.622 10.593 -8.240 1.00 0.00 H new ATOM 12 N GLY A 2 4.578 7.645 -7.519 1.00 0.00 N ATOM 13 CA GLY A 2 5.914 7.182 -7.858 1.00 0.00 C ATOM 14 C GLY A 2 5.855 5.914 -8.699 1.00 0.00 C ATOM 15 O GLY A 2 4.778 5.363 -8.925 1.00 0.00 O ATOM 0 H GLY A 2 3.832 7.102 -7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.445 7.961 -8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.479 6.992 -6.946 1.00 0.00 H new ATOM 19 N SER A 3 7.019 5.450 -9.162 1.00 0.00 N ATOM 20 CA SER A 3 7.122 4.246 -9.971 1.00 0.00 C ATOM 21 C SER A 3 8.527 3.654 -9.874 1.00 0.00 C ATOM 22 O SER A 3 9.493 4.372 -9.616 1.00 0.00 O ATOM 23 CB SER A 3 6.783 4.585 -11.428 1.00 0.00 C ATOM 24 OG SER A 3 7.013 3.460 -12.247 1.00 0.00 O ATOM 0 H SER A 3 7.915 5.904 -8.983 1.00 0.00 H new ATOM 0 HA SER A 3 6.416 3.503 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.741 4.896 -11.506 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.392 5.423 -11.767 1.00 0.00 H new ATOM 0 HG SER A 3 6.793 3.681 -13.176 1.00 0.00 H new ATOM 30 N HIS A 4 8.646 2.337 -10.082 1.00 0.00 N ATOM 31 CA HIS A 4 9.927 1.644 -10.038 1.00 0.00 C ATOM 32 C HIS A 4 10.816 2.050 -11.217 1.00 0.00 C ATOM 33 O HIS A 4 11.999 1.712 -11.246 1.00 0.00 O ATOM 34 CB HIS A 4 9.684 0.133 -10.034 1.00 0.00 C ATOM 35 CG HIS A 4 8.748 -0.310 -8.943 1.00 0.00 C ATOM 36 ND1 HIS A 4 8.905 -0.078 -7.590 1.00 0.00 N ATOM 37 CD2 HIS A 4 7.605 -1.041 -9.116 1.00 0.00 C ATOM 38 CE1 HIS A 4 7.870 -0.655 -6.948 1.00 0.00 C ATOM 39 NE2 HIS A 4 7.069 -1.245 -7.858 1.00 0.00 N ATOM 0 H HIS A 4 7.854 1.727 -10.285 1.00 0.00 H new ATOM 0 HA HIS A 4 10.451 1.926 -9.125 1.00 0.00 H new ATOM 0 HB2 HIS A 4 9.275 -0.166 -10.999 1.00 0.00 H new ATOM 0 HB3 HIS A 4 10.638 -0.382 -9.918 1.00 0.00 H new ATOM 0 HD2 HIS A 4 7.200 -1.391 -10.054 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.709 -0.646 -5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 4 6.211 -1.757 -7.653 1.00 0.00 H new ATOM 48 N MET A 5 10.253 2.778 -12.190 1.00 0.00 N ATOM 49 CA MET A 5 10.991 3.282 -13.340 1.00 0.00 C ATOM 50 C MET A 5 11.920 4.435 -12.945 1.00 0.00 C ATOM 51 O MET A 5 12.765 4.849 -13.741 1.00 0.00 O ATOM 52 CB MET A 5 9.983 3.700 -14.416 1.00 0.00 C ATOM 53 CG MET A 5 10.670 4.216 -15.681 1.00 0.00 C ATOM 54 SD MET A 5 9.576 4.390 -17.116 1.00 0.00 S ATOM 55 CE MET A 5 8.455 5.672 -16.494 1.00 0.00 C ATOM 0 H MET A 5 9.265 3.032 -12.195 1.00 0.00 H new ATOM 0 HA MET A 5 11.635 2.498 -13.738 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.351 2.849 -14.669 1.00 0.00 H new ATOM 0 HB3 MET A 5 9.329 4.476 -14.017 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.121 5.185 -15.465 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.482 3.537 -15.940 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.778 5.980 -17.290 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.877 5.276 -15.659 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.036 6.531 -16.158 1.00 0.00 H new ATOM 65 N LYS A 6 11.771 4.955 -11.719 1.00 0.00 N ATOM 66 CA LYS A 6 12.590 6.042 -11.193 1.00 0.00 C ATOM 67 C LYS A 6 12.588 7.230 -12.161 1.00 0.00 C ATOM 68 O LYS A 6 13.638 7.769 -12.504 1.00 0.00 O ATOM 69 CB LYS A 6 13.992 5.519 -10.855 1.00 0.00 C ATOM 70 CG LYS A 6 14.774 6.519 -10.005 1.00 0.00 C ATOM 71 CD LYS A 6 16.126 5.925 -9.621 1.00 0.00 C ATOM 72 CE LYS A 6 16.898 6.933 -8.768 1.00 0.00 C ATOM 73 NZ LYS A 6 18.217 6.397 -8.383 1.00 0.00 N ATOM 0 H LYS A 6 11.067 4.624 -11.060 1.00 0.00 H new ATOM 0 HA LYS A 6 12.166 6.417 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.909 4.573 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.538 5.318 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.918 7.447 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.208 6.768 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.984 4.997 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.695 5.678 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.027 7.862 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.324 7.173 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.722 7.099 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.090 5.523 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.771 6.190 -9.239 1.00 0.00 H new ATOM 87 N THR A 7 11.393 7.629 -12.603 1.00 0.00 N ATOM 88 CA THR A 7 11.214 8.724 -13.544 1.00 0.00 C ATOM 89 C THR A 7 11.862 10.050 -13.154 1.00 0.00 C ATOM 90 O THR A 7 11.947 10.379 -11.971 1.00 0.00 O ATOM 91 CB THR A 7 9.745 8.881 -13.951 1.00 0.00 C ATOM 92 OG1 THR A 7 9.064 7.652 -13.801 1.00 0.00 O ATOM 93 CG2 THR A 7 9.615 9.353 -15.398 1.00 0.00 C ATOM 0 H THR A 7 10.518 7.193 -12.312 1.00 0.00 H new ATOM 0 HA THR A 7 11.782 8.422 -14.424 1.00 0.00 H new ATOM 0 HB THR A 7 9.301 9.633 -13.299 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.126 7.764 -14.062 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.560 9.454 -15.654 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.110 10.317 -15.512 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.082 8.625 -16.062 1.00 0.00 H new ATOM 101 N CYS A 8 12.318 10.804 -14.157 1.00 0.00 N ATOM 102 CA CYS A 8 12.998 12.079 -13.948 1.00 0.00 C ATOM 103 C CYS A 8 12.005 13.187 -13.570 1.00 0.00 C ATOM 104 O CYS A 8 12.412 14.254 -13.109 1.00 0.00 O ATOM 105 CB CYS A 8 13.744 12.417 -15.242 1.00 0.00 C ATOM 106 SG CYS A 8 14.761 13.902 -15.016 1.00 0.00 S ATOM 0 H CYS A 8 12.224 10.544 -15.139 1.00 0.00 H new ATOM 0 HA CYS A 8 13.699 12.001 -13.117 1.00 0.00 H new ATOM 0 HB2 CYS A 8 14.375 11.578 -15.536 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.030 12.577 -16.050 1.00 0.00 H new ATOM 0 HG CYS A 8 14.209 14.675 -14.128 1.00 0.00 H new ATOM 112 N VAL A 9 10.704 12.945 -13.758 1.00 0.00 N ATOM 113 CA VAL A 9 9.673 13.929 -13.461 1.00 0.00 C ATOM 114 C VAL A 9 9.576 14.187 -11.963 1.00 0.00 C ATOM 115 O VAL A 9 9.637 13.255 -11.162 1.00 0.00 O ATOM 116 CB VAL A 9 8.322 13.485 -14.038 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.255 14.554 -13.815 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.439 13.216 -15.542 1.00 0.00 C ATOM 0 H VAL A 9 10.343 12.062 -14.120 1.00 0.00 H new ATOM 0 HA VAL A 9 9.951 14.869 -13.938 1.00 0.00 H new ATOM 0 HB VAL A 9 8.032 12.570 -13.521 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.307 14.215 -14.233 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.137 14.733 -12.746 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.558 15.479 -14.306 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.471 12.902 -15.932 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.758 14.126 -16.051 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.172 12.428 -15.715 1.00 0.00 H new ATOM 128 N VAL A 10 9.422 15.461 -11.591 1.00 0.00 N ATOM 129 CA VAL A 10 9.328 15.915 -10.208 1.00 0.00 C ATOM 130 C VAL A 10 8.484 17.186 -10.168 1.00 0.00 C ATOM 131 O VAL A 10 8.266 17.827 -11.198 1.00 0.00 O ATOM 132 CB VAL A 10 10.724 16.225 -9.642 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.576 14.963 -9.507 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.476 17.231 -10.519 1.00 0.00 C ATOM 0 H VAL A 10 9.358 16.223 -12.266 1.00 0.00 H new ATOM 0 HA VAL A 10 8.872 15.129 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 10 10.561 16.655 -8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.554 15.226 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.083 14.261 -8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.699 14.501 -10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.458 17.426 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.594 16.822 -11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.911 18.162 -10.571 1.00 0.00 H new ATOM 144 N GLU A 11 8.004 17.552 -8.978 1.00 0.00 N ATOM 145 CA GLU A 11 7.213 18.757 -8.790 1.00 0.00 C ATOM 146 C GLU A 11 8.118 19.989 -8.836 1.00 0.00 C ATOM 147 O GLU A 11 9.299 19.897 -8.505 1.00 0.00 O ATOM 148 CB GLU A 11 6.471 18.680 -7.453 1.00 0.00 C ATOM 149 CG GLU A 11 5.567 19.893 -7.208 1.00 0.00 C ATOM 150 CD GLU A 11 4.504 20.087 -8.292 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.277 19.139 -9.075 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.920 21.192 -8.327 1.00 0.00 O ATOM 0 H GLU A 11 8.156 17.018 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 11 6.480 18.840 -9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.868 17.772 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.197 18.603 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.074 19.781 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.183 20.790 -7.149 1.00 0.00 H new ATOM 159 N LYS A 12 7.572 21.141 -9.242 1.00 0.00 N ATOM 160 CA LYS A 12 8.322 22.386 -9.295 1.00 0.00 C ATOM 161 C LYS A 12 7.479 23.594 -8.919 1.00 0.00 C ATOM 162 O LYS A 12 6.290 23.656 -9.230 1.00 0.00 O ATOM 163 CB LYS A 12 8.959 22.582 -10.673 1.00 0.00 C ATOM 164 CG LYS A 12 10.323 21.891 -10.741 1.00 0.00 C ATOM 165 CD LYS A 12 11.008 22.202 -12.072 1.00 0.00 C ATOM 166 CE LYS A 12 12.429 21.638 -12.046 1.00 0.00 C ATOM 167 NZ LYS A 12 13.126 21.887 -13.322 1.00 0.00 N ATOM 0 H LYS A 12 6.601 21.229 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 12 9.113 22.305 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.302 22.178 -11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.074 23.646 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.950 22.226 -9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.199 20.814 -10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.445 21.765 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.034 23.279 -12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.988 22.093 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.394 20.566 -11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.087 21.493 -13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.603 21.432 -14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.179 22.911 -13.494 1.00 0.00 H new ATOM 181 N ILE A 13 8.122 24.554 -8.252 1.00 0.00 N ATOM 182 CA ILE A 13 7.541 25.827 -7.849 1.00 0.00 C ATOM 183 C ILE A 13 8.628 26.897 -7.961 1.00 0.00 C ATOM 184 O ILE A 13 9.810 26.584 -7.827 1.00 0.00 O ATOM 185 CB ILE A 13 6.984 25.748 -6.415 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.869 24.700 -6.312 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.470 27.119 -5.967 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.309 24.601 -4.889 1.00 0.00 C ATOM 0 H ILE A 13 9.097 24.459 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 13 6.704 26.080 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 13 7.795 25.443 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.065 24.956 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.255 23.728 -6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.080 27.047 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.287 27.840 -5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.677 27.447 -6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.522 23.848 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.107 24.319 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.899 25.566 -4.591 1.00 0.00 H new ATOM 200 N LYS A 14 8.236 28.152 -8.203 1.00 0.00 N ATOM 201 CA LYS A 14 9.179 29.259 -8.312 1.00 0.00 C ATOM 202 C LYS A 14 8.577 30.531 -7.729 1.00 0.00 C ATOM 203 O LYS A 14 7.398 30.810 -7.945 1.00 0.00 O ATOM 204 CB LYS A 14 9.577 29.439 -9.782 1.00 0.00 C ATOM 205 CG LYS A 14 10.526 30.623 -9.977 1.00 0.00 C ATOM 206 CD LYS A 14 10.900 30.744 -11.456 1.00 0.00 C ATOM 207 CE LYS A 14 11.853 31.921 -11.658 1.00 0.00 C ATOM 208 NZ LYS A 14 12.223 32.065 -13.079 1.00 0.00 N ATOM 0 H LYS A 14 7.261 28.424 -8.328 1.00 0.00 H new ATOM 0 HA LYS A 14 10.078 29.037 -7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.055 28.528 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.681 29.589 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.051 31.543 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.424 30.485 -9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.370 29.822 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.002 30.885 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.382 32.839 -11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.751 31.773 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.871 32.871 -13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.693 31.196 -13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.367 32.229 -13.646 1.00 0.00 H new ATOM 222 N GLN A 15 9.382 31.298 -6.990 1.00 0.00 N ATOM 223 CA GLN A 15 8.938 32.550 -6.398 1.00 0.00 C ATOM 224 C GLN A 15 10.127 33.481 -6.138 1.00 0.00 C ATOM 225 O GLN A 15 11.242 33.021 -5.890 1.00 0.00 O ATOM 226 CB GLN A 15 8.151 32.260 -5.115 1.00 0.00 C ATOM 227 CG GLN A 15 7.709 33.540 -4.405 1.00 0.00 C ATOM 228 CD GLN A 15 6.924 34.465 -5.327 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.085 34.021 -6.104 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.190 35.766 -5.251 1.00 0.00 N ATOM 0 H GLN A 15 10.355 31.065 -6.789 1.00 0.00 H new ATOM 0 HA GLN A 15 8.277 33.065 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.274 31.660 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.767 31.666 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.095 33.282 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.586 34.065 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.893 36.105 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.691 36.424 -5.849 1.00 0.00 H new ATOM 239 N TRP A 16 9.875 34.789 -6.196 1.00 0.00 N ATOM 240 CA TRP A 16 10.875 35.822 -5.976 1.00 0.00 C ATOM 241 C TRP A 16 10.877 36.297 -4.525 1.00 0.00 C ATOM 242 O TRP A 16 9.838 36.285 -3.867 1.00 0.00 O ATOM 243 CB TRP A 16 10.573 37.005 -6.897 1.00 0.00 C ATOM 244 CG TRP A 16 10.548 36.681 -8.356 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.518 36.109 -9.017 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.610 36.840 -9.346 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.864 35.907 -10.337 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.145 36.346 -10.599 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.911 37.371 -9.314 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.935 36.370 -11.753 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.710 37.399 -10.469 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.229 36.896 -11.687 1.00 0.00 C ATOM 0 H TRP A 16 8.949 35.163 -6.402 1.00 0.00 H new ATOM 0 HA TRP A 16 11.858 35.405 -6.195 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.607 37.426 -6.617 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.320 37.780 -6.725 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.566 35.849 -8.578 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.249 35.485 -11.033 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.302 37.764 -8.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.549 35.986 -12.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.706 37.813 -10.419 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.854 36.915 -12.568 1.00 0.00 H new ATOM 263 N ILE A 17 12.046 36.715 -4.040 1.00 0.00 N ATOM 264 CA ILE A 17 12.198 37.364 -2.742 1.00 0.00 C ATOM 265 C ILE A 17 13.197 38.506 -2.925 1.00 0.00 C ATOM 266 O ILE A 17 14.189 38.346 -3.635 1.00 0.00 O ATOM 267 CB ILE A 17 12.660 36.366 -1.662 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.159 36.059 -1.781 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.821 35.088 -1.692 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.613 35.034 -0.742 1.00 0.00 C ATOM 0 H ILE A 17 12.925 36.610 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 17 11.241 37.753 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 17 12.504 36.838 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.375 35.683 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.729 36.979 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.171 34.404 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.775 35.335 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.918 34.612 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.680 34.844 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.422 35.421 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.062 34.104 -0.883 1.00 0.00 H new ATOM 282 N PRO A 18 12.958 39.664 -2.298 1.00 0.00 N ATOM 283 CA PRO A 18 13.834 40.816 -2.389 1.00 0.00 C ATOM 284 C PRO A 18 15.176 40.508 -1.735 1.00 0.00 C ATOM 285 O PRO A 18 15.250 39.725 -0.791 1.00 0.00 O ATOM 286 CB PRO A 18 13.098 41.944 -1.672 1.00 0.00 C ATOM 287 CG PRO A 18 12.210 41.203 -0.672 1.00 0.00 C ATOM 288 CD PRO A 18 11.824 39.946 -1.440 1.00 0.00 C ATOM 0 HA PRO A 18 14.055 41.092 -3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.790 42.621 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.509 42.545 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.744 40.968 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.336 41.791 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.626 39.115 -0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.917 40.104 -2.024 1.00 0.00 H new ATOM 296 N THR A 19 16.248 41.126 -2.235 1.00 0.00 N ATOM 297 CA THR A 19 17.586 40.881 -1.709 1.00 0.00 C ATOM 298 C THR A 19 17.765 41.259 -0.244 1.00 0.00 C ATOM 299 O THR A 19 18.724 40.832 0.397 1.00 0.00 O ATOM 300 CB THR A 19 18.673 41.491 -2.593 1.00 0.00 C ATOM 301 OG1 THR A 19 18.842 42.854 -2.276 1.00 0.00 O ATOM 302 CG2 THR A 19 18.329 41.346 -4.072 1.00 0.00 C ATOM 0 H THR A 19 16.213 41.798 -3.002 1.00 0.00 H new ATOM 0 HA THR A 19 17.704 39.798 -1.739 1.00 0.00 H new ATOM 0 HB THR A 19 19.602 40.953 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 19 19.541 43.238 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.121 41.790 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.232 40.289 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 19 17.388 41.855 -4.278 1.00 0.00 H new ATOM 310 N THR A 20 16.840 42.056 0.290 1.00 0.00 N ATOM 311 CA THR A 20 16.822 42.430 1.697 1.00 0.00 C ATOM 312 C THR A 20 16.535 41.284 2.660 1.00 0.00 C ATOM 313 O THR A 20 16.653 41.448 3.876 1.00 0.00 O ATOM 314 CB THR A 20 15.926 43.650 1.949 1.00 0.00 C ATOM 315 OG1 THR A 20 14.608 43.229 2.221 1.00 0.00 O ATOM 316 CG2 THR A 20 15.899 44.613 0.764 1.00 0.00 C ATOM 0 H THR A 20 16.076 42.462 -0.250 1.00 0.00 H new ATOM 0 HA THR A 20 17.848 42.718 1.927 1.00 0.00 H new ATOM 0 HB THR A 20 16.347 44.179 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.041 44.012 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.250 45.458 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.908 44.974 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.519 44.095 -0.117 1.00 0.00 H new ATOM 324 N GLU A 21 16.161 40.118 2.124 1.00 0.00 N ATOM 325 CA GLU A 21 15.912 38.937 2.937 1.00 0.00 C ATOM 326 C GLU A 21 16.466 37.661 2.303 1.00 0.00 C ATOM 327 O GLU A 21 16.183 36.571 2.793 1.00 0.00 O ATOM 328 CB GLU A 21 14.420 38.821 3.272 1.00 0.00 C ATOM 329 CG GLU A 21 13.565 38.483 2.048 1.00 0.00 C ATOM 330 CD GLU A 21 12.073 38.454 2.390 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.279 38.144 1.475 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.731 38.739 3.562 1.00 0.00 O ATOM 0 H GLU A 21 16.025 39.973 1.124 1.00 0.00 H new ATOM 0 HA GLU A 21 16.457 39.059 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.281 38.051 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.074 39.760 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.744 39.219 1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.866 37.514 1.650 1.00 0.00 H new ATOM 339 N VAL A 22 17.254 37.765 1.223 1.00 0.00 N ATOM 340 CA VAL A 22 17.942 36.590 0.686 1.00 0.00 C ATOM 341 C VAL A 22 18.954 36.118 1.732 1.00 0.00 C ATOM 342 O VAL A 22 19.326 34.947 1.753 1.00 0.00 O ATOM 343 CB VAL A 22 18.651 36.967 -0.625 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.614 35.871 -1.085 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.619 37.184 -1.727 1.00 0.00 C ATOM 0 H VAL A 22 17.427 38.633 0.716 1.00 0.00 H new ATOM 0 HA VAL A 22 17.235 35.789 0.472 1.00 0.00 H new ATOM 0 HB VAL A 22 19.217 37.879 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.095 36.176 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.373 35.709 -0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.061 34.946 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.127 37.451 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.049 36.267 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.943 37.989 -1.439 1.00 0.00 H new ATOM 355 N GLY A 23 19.403 37.025 2.608 1.00 0.00 N ATOM 356 CA GLY A 23 20.321 36.685 3.684 1.00 0.00 C ATOM 357 C GLY A 23 19.656 35.805 4.741 1.00 0.00 C ATOM 358 O GLY A 23 20.341 35.213 5.569 1.00 0.00 O ATOM 0 H GLY A 23 19.137 38.009 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.187 36.167 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.688 37.599 4.151 1.00 0.00 H new ATOM 362 N LYS A 24 18.320 35.710 4.715 1.00 0.00 N ATOM 363 CA LYS A 24 17.574 34.850 5.628 1.00 0.00 C ATOM 364 C LYS A 24 17.594 33.402 5.146 1.00 0.00 C ATOM 365 O LYS A 24 17.063 32.529 5.829 1.00 0.00 O ATOM 366 CB LYS A 24 16.133 35.354 5.759 1.00 0.00 C ATOM 367 CG LYS A 24 16.057 36.820 6.200 1.00 0.00 C ATOM 368 CD LYS A 24 16.669 37.028 7.586 1.00 0.00 C ATOM 369 CE LYS A 24 16.515 38.493 7.993 1.00 0.00 C ATOM 370 NZ LYS A 24 17.074 38.736 9.338 1.00 0.00 N ATOM 0 H LYS A 24 17.733 36.227 4.061 1.00 0.00 H new ATOM 0 HA LYS A 24 18.050 34.885 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.624 35.240 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.600 34.734 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.578 37.445 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.016 37.143 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.177 36.383 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.723 36.751 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.019 39.130 7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.460 38.768 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.955 39.739 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.575 38.145 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.086 38.496 9.342 1.00 0.00 H new ATOM 384 N ILE A 25 18.203 33.142 3.983 1.00 0.00 N ATOM 385 CA ILE A 25 18.289 31.800 3.424 1.00 0.00 C ATOM 386 C ILE A 25 19.743 31.410 3.146 1.00 0.00 C ATOM 387 O ILE A 25 20.092 30.240 3.276 1.00 0.00 O ATOM 388 CB ILE A 25 17.461 31.724 2.133 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.032 32.234 2.347 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.456 30.285 1.609 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.214 32.156 1.057 1.00 0.00 C ATOM 0 H ILE A 25 18.647 33.859 3.409 1.00 0.00 H new ATOM 0 HA ILE A 25 17.888 31.096 4.153 1.00 0.00 H new ATOM 0 HB ILE A 25 17.923 32.373 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.546 31.644 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.061 33.265 2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.868 30.233 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.479 29.970 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.018 29.626 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.205 32.525 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.688 32.766 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.165 31.121 0.719 1.00 0.00 H new ATOM 403 N LEU A 26 20.584 32.380 2.766 1.00 0.00 N ATOM 404 CA LEU A 26 21.961 32.118 2.360 1.00 0.00 C ATOM 405 C LEU A 26 22.992 32.818 3.255 1.00 0.00 C ATOM 406 O LEU A 26 24.192 32.710 3.009 1.00 0.00 O ATOM 407 CB LEU A 26 22.149 32.577 0.909 1.00 0.00 C ATOM 408 CG LEU A 26 21.082 32.041 -0.049 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.362 32.609 -1.433 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.126 30.516 -0.118 1.00 0.00 C ATOM 0 H LEU A 26 20.325 33.366 2.733 1.00 0.00 H new ATOM 0 HA LEU A 26 22.132 31.046 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.139 33.666 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.131 32.257 0.560 1.00 0.00 H new ATOM 0 HG LEU A 26 20.096 32.339 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.614 32.241 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.320 33.698 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.353 32.296 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.358 30.161 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.106 30.196 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.945 30.102 0.874 1.00 0.00 H new ATOM 422 N GLY A 27 22.538 33.534 4.288 1.00 0.00 N ATOM 423 CA GLY A 27 23.405 34.346 5.134 1.00 0.00 C ATOM 424 C GLY A 27 24.234 33.524 6.122 1.00 0.00 C ATOM 425 O GLY A 27 24.940 34.101 6.950 1.00 0.00 O ATOM 0 H GLY A 27 21.555 33.564 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.077 34.926 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.795 35.059 5.688 1.00 0.00 H new ATOM 429 N ASN A 28 24.158 32.193 6.048 1.00 0.00 N ATOM 430 CA ASN A 28 24.847 31.301 6.965 1.00 0.00 C ATOM 431 C ASN A 28 25.249 29.997 6.275 1.00 0.00 C ATOM 432 O ASN A 28 24.931 28.909 6.755 1.00 0.00 O ATOM 433 CB ASN A 28 23.976 31.061 8.202 1.00 0.00 C ATOM 434 CG ASN A 28 22.544 30.667 7.853 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.267 30.142 6.775 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.619 30.922 8.770 1.00 0.00 N ATOM 0 H ASN A 28 23.609 31.706 5.340 1.00 0.00 H new ATOM 0 HA ASN A 28 25.774 31.771 7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.426 30.276 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.961 31.965 8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.644 30.682 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.883 31.358 9.653 1.00 0.00 H new ATOM 443 N ARG A 29 25.953 30.107 5.140 1.00 0.00 N ATOM 444 CA ARG A 29 26.350 28.953 4.336 1.00 0.00 C ATOM 445 C ARG A 29 25.135 28.128 3.916 1.00 0.00 C ATOM 446 O ARG A 29 25.225 26.915 3.740 1.00 0.00 O ATOM 447 CB ARG A 29 27.424 28.121 5.043 1.00 0.00 C ATOM 448 CG ARG A 29 28.657 28.969 5.364 1.00 0.00 C ATOM 449 CD ARG A 29 29.722 28.134 6.075 1.00 0.00 C ATOM 450 NE ARG A 29 30.206 27.039 5.226 1.00 0.00 N ATOM 451 CZ ARG A 29 31.221 27.145 4.363 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.867 28.296 4.204 1.00 0.00 N ATOM 453 NH2 ARG A 29 31.592 26.087 3.648 1.00 0.00 N ATOM 0 H ARG A 29 26.261 31.001 4.757 1.00 0.00 H new ATOM 0 HA ARG A 29 26.806 29.320 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 29 27.017 27.703 5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.712 27.281 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.068 29.383 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.370 29.812 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 29 30.558 28.774 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.309 27.725 6.997 1.00 0.00 H new ATOM 0 HE ARG A 29 29.736 26.137 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.590 29.115 4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.640 28.360 3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 29 31.102 25.199 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.366 26.163 2.988 1.00 0.00 H new ATOM 467 N ALA A 30 23.996 28.810 3.762 1.00 0.00 N ATOM 468 CA ALA A 30 22.720 28.217 3.389 1.00 0.00 C ATOM 469 C ALA A 30 22.268 27.114 4.349 1.00 0.00 C ATOM 470 O ALA A 30 21.494 26.238 3.959 1.00 0.00 O ATOM 471 CB ALA A 30 22.760 27.772 1.928 1.00 0.00 C ATOM 0 H ALA A 30 23.941 29.819 3.899 1.00 0.00 H new ATOM 0 HA ALA A 30 21.950 28.983 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.802 27.329 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.955 28.634 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.551 27.035 1.794 1.00 0.00 H new ATOM 477 N ALA A 31 22.740 27.136 5.597 1.00 0.00 N ATOM 478 CA ALA A 31 22.381 26.126 6.576 1.00 0.00 C ATOM 479 C ALA A 31 20.882 26.150 6.876 1.00 0.00 C ATOM 480 O ALA A 31 20.309 25.129 7.255 1.00 0.00 O ATOM 481 CB ALA A 31 23.173 26.390 7.857 1.00 0.00 C ATOM 0 H ALA A 31 23.376 27.851 5.949 1.00 0.00 H new ATOM 0 HA ALA A 31 22.621 25.141 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.916 25.640 8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.240 26.337 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.928 27.381 8.238 1.00 0.00 H new ATOM 487 N VAL A 32 20.235 27.307 6.706 1.00 0.00 N ATOM 488 CA VAL A 32 18.807 27.443 6.952 1.00 0.00 C ATOM 489 C VAL A 32 18.051 26.858 5.762 1.00 0.00 C ATOM 490 O VAL A 32 16.962 26.313 5.939 1.00 0.00 O ATOM 491 CB VAL A 32 18.477 28.929 7.123 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.992 29.212 6.922 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.869 29.347 8.537 1.00 0.00 C ATOM 0 H VAL A 32 20.688 28.167 6.396 1.00 0.00 H new ATOM 0 HA VAL A 32 18.515 26.910 7.857 1.00 0.00 H new ATOM 0 HB VAL A 32 19.029 29.491 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.804 30.278 7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.697 28.912 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.412 28.649 7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.642 30.403 8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.309 28.754 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.937 29.182 8.682 1.00 0.00 H new ATOM 503 N LYS A 33 18.605 26.954 4.548 1.00 0.00 N ATOM 504 CA LYS A 33 17.946 26.395 3.377 1.00 0.00 C ATOM 505 C LYS A 33 17.911 24.876 3.501 1.00 0.00 C ATOM 506 O LYS A 33 16.935 24.239 3.110 1.00 0.00 O ATOM 507 CB LYS A 33 18.701 26.828 2.117 1.00 0.00 C ATOM 508 CG LYS A 33 17.916 26.430 0.864 1.00 0.00 C ATOM 509 CD LYS A 33 18.636 26.916 -0.397 1.00 0.00 C ATOM 510 CE LYS A 33 19.941 26.154 -0.638 1.00 0.00 C ATOM 511 NZ LYS A 33 19.687 24.736 -0.971 1.00 0.00 N ATOM 0 H LYS A 33 19.498 27.409 4.358 1.00 0.00 H new ATOM 0 HA LYS A 33 16.922 26.761 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.856 27.907 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.688 26.365 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.800 25.347 0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.914 26.857 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.980 26.795 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.849 27.981 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.494 26.626 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.568 26.213 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.592 24.249 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.180 24.280 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.109 24.680 -1.834 1.00 0.00 H new ATOM 525 N LYS A 34 18.982 24.298 4.053 1.00 0.00 N ATOM 526 CA LYS A 34 19.092 22.862 4.264 1.00 0.00 C ATOM 527 C LYS A 34 18.153 22.386 5.374 1.00 0.00 C ATOM 528 O LYS A 34 17.807 21.206 5.415 1.00 0.00 O ATOM 529 CB LYS A 34 20.541 22.514 4.618 1.00 0.00 C ATOM 530 CG LYS A 34 21.484 22.860 3.466 1.00 0.00 C ATOM 531 CD LYS A 34 22.933 22.657 3.908 1.00 0.00 C ATOM 532 CE LYS A 34 23.902 23.105 2.815 1.00 0.00 C ATOM 533 NZ LYS A 34 23.761 22.286 1.595 1.00 0.00 N ATOM 0 H LYS A 34 19.799 24.822 4.366 1.00 0.00 H new ATOM 0 HA LYS A 34 18.801 22.354 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.841 23.057 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.618 21.452 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.265 22.231 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.330 23.893 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.122 23.221 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.103 21.606 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.720 24.152 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.925 23.036 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.540 22.501 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.790 21.278 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 22.853 22.501 1.135 1.00 0.00 H new ATOM 547 N HIS A 35 17.736 23.285 6.275 1.00 0.00 N ATOM 548 CA HIS A 35 16.832 22.925 7.361 1.00 0.00 C ATOM 549 C HIS A 35 15.417 22.699 6.833 1.00 0.00 C ATOM 550 O HIS A 35 14.686 21.872 7.369 1.00 0.00 O ATOM 551 CB HIS A 35 16.842 24.030 8.420 1.00 0.00 C ATOM 552 CG HIS A 35 16.070 23.650 9.653 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.413 22.664 10.562 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.908 24.229 10.088 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.469 22.635 11.519 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.549 23.581 11.256 1.00 0.00 N ATOM 0 H HIS A 35 18.014 24.266 6.268 1.00 0.00 H new ATOM 0 HA HIS A 35 17.173 21.994 7.813 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.872 24.256 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.418 24.940 7.995 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.374 25.037 9.610 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.452 21.961 12.363 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.726 23.786 11.822 1.00 0.00 H new ATOM 565 N ILE A 36 15.026 23.426 5.781 1.00 0.00 N ATOM 566 CA ILE A 36 13.709 23.269 5.177 1.00 0.00 C ATOM 567 C ILE A 36 13.693 22.029 4.284 1.00 0.00 C ATOM 568 O ILE A 36 12.657 21.383 4.132 1.00 0.00 O ATOM 569 CB ILE A 36 13.352 24.536 4.388 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.252 25.730 5.347 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.029 24.366 3.631 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.155 27.059 4.599 1.00 0.00 C ATOM 0 H ILE A 36 15.610 24.131 5.332 1.00 0.00 H new ATOM 0 HA ILE A 36 12.958 23.130 5.955 1.00 0.00 H new ATOM 0 HB ILE A 36 14.140 24.716 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.377 25.609 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.125 25.744 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.804 25.280 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.114 23.534 2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.227 24.162 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.086 27.876 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.042 27.194 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.268 27.056 3.966 1.00 0.00 H new ATOM 584 N GLU A 37 14.840 21.687 3.691 1.00 0.00 N ATOM 585 CA GLU A 37 14.946 20.522 2.824 1.00 0.00 C ATOM 586 C GLU A 37 14.806 19.215 3.602 1.00 0.00 C ATOM 587 O GLU A 37 14.267 18.245 3.076 1.00 0.00 O ATOM 588 CB GLU A 37 16.291 20.556 2.094 1.00 0.00 C ATOM 589 CG GLU A 37 16.317 21.714 1.093 1.00 0.00 C ATOM 590 CD GLU A 37 17.689 21.885 0.441 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.786 22.751 -0.457 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.631 21.161 0.836 1.00 0.00 O ATOM 0 H GLU A 37 15.710 22.207 3.800 1.00 0.00 H new ATOM 0 HA GLU A 37 14.128 20.560 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.102 20.669 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.456 19.612 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.569 21.540 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.041 22.638 1.602 1.00 0.00 H new ATOM 599 N ARG A 38 15.282 19.180 4.852 1.00 0.00 N ATOM 600 CA ARG A 38 15.149 17.988 5.682 1.00 0.00 C ATOM 601 C ARG A 38 13.820 17.989 6.437 1.00 0.00 C ATOM 602 O ARG A 38 13.430 16.962 6.990 1.00 0.00 O ATOM 603 CB ARG A 38 16.332 17.890 6.646 1.00 0.00 C ATOM 604 CG ARG A 38 16.350 19.038 7.655 1.00 0.00 C ATOM 605 CD ARG A 38 17.558 18.915 8.583 1.00 0.00 C ATOM 606 NE ARG A 38 17.483 17.697 9.404 1.00 0.00 N ATOM 607 CZ ARG A 38 18.344 16.677 9.340 1.00 0.00 C ATOM 608 NH1 ARG A 38 19.359 16.689 8.482 1.00 0.00 N ATOM 609 NH2 ARG A 38 18.184 15.632 10.143 1.00 0.00 N ATOM 0 H ARG A 38 15.759 19.960 5.304 1.00 0.00 H new ATOM 0 HA ARG A 38 15.154 17.110 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.287 16.940 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.263 17.893 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.384 19.992 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.431 19.029 8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.473 18.901 7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.611 19.790 9.231 1.00 0.00 H new ATOM 0 HE ARG A 38 16.716 17.625 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.490 17.486 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.007 15.902 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.407 15.611 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.838 14.850 10.099 1.00 0.00 H new ATOM 623 N GLN A 39 13.129 19.132 6.462 1.00 0.00 N ATOM 624 CA GLN A 39 11.833 19.257 7.115 1.00 0.00 C ATOM 625 C GLN A 39 10.715 18.705 6.234 1.00 0.00 C ATOM 626 O GLN A 39 9.702 18.226 6.744 1.00 0.00 O ATOM 627 CB GLN A 39 11.599 20.738 7.439 1.00 0.00 C ATOM 628 CG GLN A 39 10.177 21.026 7.931 1.00 0.00 C ATOM 629 CD GLN A 39 9.821 20.245 9.191 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.689 19.867 9.974 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.528 19.995 9.391 1.00 0.00 N ATOM 0 H GLN A 39 13.457 19.995 6.028 1.00 0.00 H new ATOM 0 HA GLN A 39 11.827 18.672 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.312 21.055 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.797 21.335 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.074 22.093 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.467 20.778 7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.835 20.325 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.231 19.474 10.216 1.00 0.00 H new ATOM 640 N PHE A 40 10.899 18.773 4.911 1.00 0.00 N ATOM 641 CA PHE A 40 9.896 18.335 3.954 1.00 0.00 C ATOM 642 C PHE A 40 10.424 17.366 2.894 1.00 0.00 C ATOM 643 O PHE A 40 9.717 17.042 1.942 1.00 0.00 O ATOM 644 CB PHE A 40 9.187 19.543 3.343 1.00 0.00 C ATOM 645 CG PHE A 40 8.378 20.355 4.332 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.652 21.721 4.493 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.360 19.757 5.093 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.917 22.486 5.409 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.629 20.521 6.010 1.00 0.00 C ATOM 650 CZ PHE A 40 6.908 21.884 6.177 1.00 0.00 C ATOM 0 H PHE A 40 11.750 19.134 4.481 1.00 0.00 H new ATOM 0 HA PHE A 40 9.165 17.748 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.931 20.191 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.527 19.198 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.433 22.185 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.141 18.707 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.127 23.539 5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.846 20.058 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.349 22.468 6.893 1.00 0.00 H new ATOM 660 N ASN A 41 11.671 16.906 3.059 1.00 0.00 N ATOM 661 CA ASN A 41 12.348 16.024 2.113 1.00 0.00 C ATOM 662 C ASN A 41 12.419 16.622 0.704 1.00 0.00 C ATOM 663 O ASN A 41 12.670 15.907 -0.268 1.00 0.00 O ATOM 664 CB ASN A 41 11.724 14.625 2.148 1.00 0.00 C ATOM 665 CG ASN A 41 11.791 13.987 3.528 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.583 14.391 4.378 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.957 12.980 3.768 1.00 0.00 N ATOM 0 H ASN A 41 12.243 17.143 3.869 1.00 0.00 H new ATOM 0 HA ASN A 41 13.387 15.921 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.683 14.688 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.237 13.985 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.962 12.519 4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.312 12.668 3.042 1.00 0.00 H new ATOM 674 N CYS A 42 12.193 17.937 0.589 1.00 0.00 N ATOM 675 CA CYS A 42 12.244 18.660 -0.670 1.00 0.00 C ATOM 676 C CYS A 42 13.658 19.173 -0.940 1.00 0.00 C ATOM 677 O CYS A 42 14.587 18.920 -0.173 1.00 0.00 O ATOM 678 CB CYS A 42 11.251 19.821 -0.599 1.00 0.00 C ATOM 679 SG CYS A 42 11.777 20.987 0.684 1.00 0.00 S ATOM 0 H CYS A 42 11.966 18.530 1.387 1.00 0.00 H new ATOM 0 HA CYS A 42 11.976 17.995 -1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.195 20.326 -1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.252 19.446 -0.377 1.00 0.00 H new ATOM 0 HG CYS A 42 11.586 22.204 0.269 1.00 0.00 H new ATOM 685 N VAL A 43 13.815 19.904 -2.047 1.00 0.00 N ATOM 686 CA VAL A 43 15.062 20.558 -2.411 1.00 0.00 C ATOM 687 C VAL A 43 14.741 21.994 -2.801 1.00 0.00 C ATOM 688 O VAL A 43 13.685 22.248 -3.376 1.00 0.00 O ATOM 689 CB VAL A 43 15.740 19.795 -3.553 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.010 20.516 -4.009 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.105 18.375 -3.116 1.00 0.00 C ATOM 0 H VAL A 43 13.065 20.057 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 43 15.759 20.563 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 43 15.033 19.748 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.475 19.956 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.755 21.517 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.706 20.590 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.585 17.852 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.789 18.420 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.201 17.840 -2.825 1.00 0.00 H new ATOM 701 N ILE A 44 15.639 22.930 -2.495 1.00 0.00 N ATOM 702 CA ILE A 44 15.435 24.343 -2.783 1.00 0.00 C ATOM 703 C ILE A 44 16.685 24.924 -3.437 1.00 0.00 C ATOM 704 O ILE A 44 17.804 24.574 -3.067 1.00 0.00 O ATOM 705 CB ILE A 44 15.060 25.101 -1.496 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.783 24.504 -0.898 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.878 26.596 -1.790 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.375 25.197 0.404 1.00 0.00 C ATOM 0 H ILE A 44 16.529 22.726 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 44 14.607 24.455 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 44 15.867 24.996 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.972 24.587 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.935 23.441 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.613 27.118 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.808 27.005 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.083 26.728 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.464 24.739 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.174 25.091 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.196 26.255 0.212 1.00 0.00 H new ATOM 720 N THR A 45 16.490 25.819 -4.410 1.00 0.00 N ATOM 721 CA THR A 45 17.577 26.447 -5.146 1.00 0.00 C ATOM 722 C THR A 45 17.408 27.936 -5.407 1.00 0.00 C ATOM 723 O THR A 45 16.534 28.336 -6.173 1.00 0.00 O ATOM 724 CB THR A 45 17.898 25.685 -6.438 1.00 0.00 C ATOM 725 OG1 THR A 45 17.702 24.296 -6.273 1.00 0.00 O ATOM 726 CG2 THR A 45 19.337 25.956 -6.874 1.00 0.00 C ATOM 0 H THR A 45 15.564 26.126 -4.707 1.00 0.00 H new ATOM 0 HA THR A 45 18.434 26.380 -4.475 1.00 0.00 H new ATOM 0 HB THR A 45 17.217 26.040 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.912 23.834 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.548 25.408 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.469 27.024 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.022 25.630 -6.091 1.00 0.00 H new ATOM 734 N VAL A 46 18.244 28.764 -4.772 1.00 0.00 N ATOM 735 CA VAL A 46 18.274 30.191 -5.053 1.00 0.00 C ATOM 736 C VAL A 46 19.123 30.444 -6.294 1.00 0.00 C ATOM 737 O VAL A 46 20.111 29.750 -6.522 1.00 0.00 O ATOM 738 CB VAL A 46 18.779 30.986 -3.842 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.681 32.486 -4.121 1.00 0.00 C ATOM 740 CG2 VAL A 46 17.953 30.652 -2.596 1.00 0.00 C ATOM 0 H VAL A 46 18.908 28.463 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 46 17.260 30.539 -5.251 1.00 0.00 H new ATOM 0 HB VAL A 46 19.819 30.713 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.042 33.041 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.289 32.735 -4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.642 32.753 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.326 31.226 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.908 30.905 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.036 29.587 -2.379 1.00 0.00 H new ATOM 750 N HIS A 47 18.737 31.438 -7.098 1.00 0.00 N ATOM 751 CA HIS A 47 19.410 31.748 -8.349 1.00 0.00 C ATOM 752 C HIS A 47 19.909 33.189 -8.350 1.00 0.00 C ATOM 753 O HIS A 47 19.388 34.035 -9.077 1.00 0.00 O ATOM 754 CB HIS A 47 18.462 31.437 -9.509 1.00 0.00 C ATOM 755 CG HIS A 47 18.350 29.963 -9.803 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.292 29.181 -10.449 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.285 29.162 -9.493 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.808 27.928 -10.529 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.587 27.899 -9.960 1.00 0.00 N ATOM 0 H HIS A 47 17.946 32.049 -6.894 1.00 0.00 H new ATOM 0 HA HIS A 47 20.298 31.127 -8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.473 31.831 -9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.810 31.954 -10.403 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.195 29.499 -10.802 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.382 29.461 -8.981 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.314 27.085 -10.975 1.00 0.00 H new ATOM 768 N THR A 48 20.923 33.471 -7.527 1.00 0.00 N ATOM 769 CA THR A 48 21.559 34.783 -7.469 1.00 0.00 C ATOM 770 C THR A 48 22.252 35.203 -8.761 1.00 0.00 C ATOM 771 O THR A 48 22.686 36.346 -8.896 1.00 0.00 O ATOM 772 CB THR A 48 22.447 34.946 -6.233 1.00 0.00 C ATOM 773 OG1 THR A 48 23.750 34.498 -6.531 1.00 0.00 O ATOM 774 CG2 THR A 48 21.916 34.174 -5.025 1.00 0.00 C ATOM 0 H THR A 48 21.325 32.791 -6.881 1.00 0.00 H new ATOM 0 HA THR A 48 20.738 35.492 -7.360 1.00 0.00 H new ATOM 0 HB THR A 48 22.451 36.004 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.321 34.603 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.583 34.324 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.919 34.535 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.867 33.112 -5.265 1.00 0.00 H new ATOM 782 N GLU A 49 22.354 34.273 -9.714 1.00 0.00 N ATOM 783 CA GLU A 49 22.825 34.537 -11.066 1.00 0.00 C ATOM 784 C GLU A 49 21.749 35.271 -11.872 1.00 0.00 C ATOM 785 O GLU A 49 21.947 35.549 -13.054 1.00 0.00 O ATOM 786 CB GLU A 49 23.206 33.205 -11.720 1.00 0.00 C ATOM 787 CG GLU A 49 21.997 32.273 -11.833 1.00 0.00 C ATOM 788 CD GLU A 49 22.389 30.824 -12.116 1.00 0.00 C ATOM 789 OE1 GLU A 49 23.561 30.589 -12.490 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.502 29.957 -11.952 1.00 0.00 O ATOM 0 H GLU A 49 22.105 33.296 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 49 23.703 35.183 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.619 33.390 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.987 32.721 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.424 32.315 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.343 32.629 -12.629 1.00 0.00 H new ATOM 797 N VAL A 50 20.616 35.584 -11.233 1.00 0.00 N ATOM 798 CA VAL A 50 19.498 36.302 -11.827 1.00 0.00 C ATOM 799 C VAL A 50 19.041 37.458 -10.947 1.00 0.00 C ATOM 800 O VAL A 50 19.158 37.401 -9.724 1.00 0.00 O ATOM 801 CB VAL A 50 18.322 35.356 -12.107 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.274 36.025 -13.001 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.773 34.054 -12.763 1.00 0.00 C ATOM 0 H VAL A 50 20.453 35.334 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 50 19.849 36.715 -12.773 1.00 0.00 H new ATOM 0 HB VAL A 50 17.882 35.123 -11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.453 35.331 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.891 36.918 -12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.730 36.303 -13.951 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.906 33.417 -12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.263 34.275 -13.711 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.473 33.538 -12.105 1.00 0.00 H new ATOM 813 N GLN A 51 18.517 38.512 -11.576 1.00 0.00 N ATOM 814 CA GLN A 51 17.902 39.620 -10.866 1.00 0.00 C ATOM 815 C GLN A 51 16.853 40.275 -11.765 1.00 0.00 C ATOM 816 O GLN A 51 17.132 40.622 -12.912 1.00 0.00 O ATOM 817 CB GLN A 51 18.972 40.615 -10.394 1.00 0.00 C ATOM 818 CG GLN A 51 19.781 41.207 -11.551 1.00 0.00 C ATOM 819 CD GLN A 51 20.895 42.124 -11.049 1.00 0.00 C ATOM 820 OE1 GLN A 51 21.051 42.337 -9.849 1.00 0.00 O ATOM 821 NE2 GLN A 51 21.677 42.684 -11.968 1.00 0.00 N ATOM 0 H GLN A 51 18.510 38.615 -12.591 1.00 0.00 H new ATOM 0 HA GLN A 51 17.397 39.255 -9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 51 18.492 41.423 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.649 40.113 -9.702 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.213 40.400 -12.144 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.118 41.767 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.523 42.488 -12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 51 22.431 43.309 -11.684 1.00 0.00 H new ATOM 830 N SER A 52 15.641 40.437 -11.230 1.00 0.00 N ATOM 831 CA SER A 52 14.557 41.117 -11.928 1.00 0.00 C ATOM 832 C SER A 52 14.696 42.629 -11.788 1.00 0.00 C ATOM 833 O SER A 52 15.482 43.114 -10.972 1.00 0.00 O ATOM 834 CB SER A 52 13.218 40.628 -11.380 1.00 0.00 C ATOM 835 OG SER A 52 12.155 41.316 -12.006 1.00 0.00 O ATOM 0 H SER A 52 15.387 40.100 -10.301 1.00 0.00 H new ATOM 0 HA SER A 52 14.605 40.883 -12.991 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.117 39.556 -11.549 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.178 40.786 -10.302 1.00 0.00 H new ATOM 0 HG SER A 52 11.341 41.220 -11.468 1.00 0.00 H new ATOM 841 N SER A 53 13.932 43.383 -12.583 1.00 0.00 N ATOM 842 CA SER A 53 13.971 44.840 -12.567 1.00 0.00 C ATOM 843 C SER A 53 13.436 45.382 -11.243 1.00 0.00 C ATOM 844 O SER A 53 13.683 46.542 -10.911 1.00 0.00 O ATOM 845 CB SER A 53 13.141 45.376 -13.734 1.00 0.00 C ATOM 846 OG SER A 53 11.780 45.028 -13.571 1.00 0.00 O ATOM 0 H SER A 53 13.270 42.996 -13.255 1.00 0.00 H new ATOM 0 HA SER A 53 15.004 45.171 -12.671 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.241 46.460 -13.793 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.517 44.970 -14.673 1.00 0.00 H new ATOM 0 HG SER A 53 11.260 45.379 -14.324 1.00 0.00 H new ATOM 852 N PHE A 54 12.709 44.553 -10.485 1.00 0.00 N ATOM 853 CA PHE A 54 12.225 44.918 -9.163 1.00 0.00 C ATOM 854 C PHE A 54 13.209 44.743 -8.000 1.00 0.00 C ATOM 855 O PHE A 54 12.840 44.939 -6.844 1.00 0.00 O ATOM 856 CB PHE A 54 10.797 44.440 -8.887 1.00 0.00 C ATOM 857 CG PHE A 54 10.477 43.037 -9.352 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.079 41.935 -8.724 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.569 42.834 -10.401 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.759 40.632 -9.128 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.252 41.529 -10.808 1.00 0.00 C ATOM 862 CZ PHE A 54 9.843 40.429 -10.172 1.00 0.00 C ATOM 0 H PHE A 54 12.444 43.612 -10.777 1.00 0.00 H new ATOM 0 HA PHE A 54 12.158 46.005 -9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.614 44.499 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.103 45.130 -9.367 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.791 42.092 -7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.115 43.680 -10.895 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.216 39.786 -8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.550 41.372 -11.614 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.594 39.426 -10.485 1.00 0.00 H new ATOM 872 N GLY A 55 14.457 44.379 -8.302 1.00 0.00 N ATOM 873 CA GLY A 55 15.498 44.275 -7.293 1.00 0.00 C ATOM 874 C GLY A 55 15.316 43.053 -6.396 1.00 0.00 C ATOM 875 O GLY A 55 15.446 43.162 -5.178 1.00 0.00 O ATOM 0 H GLY A 55 14.767 44.151 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.471 44.222 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.498 45.176 -6.680 1.00 0.00 H new ATOM 879 N ALA A 56 15.010 41.891 -6.985 1.00 0.00 N ATOM 880 CA ALA A 56 14.786 40.675 -6.220 1.00 0.00 C ATOM 881 C ALA A 56 15.400 39.449 -6.894 1.00 0.00 C ATOM 882 O ALA A 56 15.647 39.443 -8.100 1.00 0.00 O ATOM 883 CB ALA A 56 13.284 40.479 -6.022 1.00 0.00 C ATOM 0 H ALA A 56 14.913 41.775 -7.994 1.00 0.00 H new ATOM 0 HA ALA A 56 15.279 40.784 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.108 39.569 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.874 41.332 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.797 40.396 -6.993 1.00 0.00 H new ATOM 889 N THR A 57 15.632 38.413 -6.082 1.00 0.00 N ATOM 890 CA THR A 57 16.195 37.138 -6.506 1.00 0.00 C ATOM 891 C THR A 57 15.165 36.018 -6.589 1.00 0.00 C ATOM 892 O THR A 57 14.391 35.841 -5.649 1.00 0.00 O ATOM 893 CB THR A 57 17.393 36.748 -5.634 1.00 0.00 C ATOM 894 OG1 THR A 57 18.149 37.892 -5.308 1.00 0.00 O ATOM 895 CG2 THR A 57 18.281 35.725 -6.333 1.00 0.00 C ATOM 0 H THR A 57 15.425 38.445 -5.084 1.00 0.00 H new ATOM 0 HA THR A 57 16.550 37.283 -7.526 1.00 0.00 H new ATOM 0 HB THR A 57 17.007 36.295 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.911 37.632 -4.749 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.121 35.471 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.702 34.826 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.656 36.146 -7.266 1.00 0.00 H new ATOM 903 N PRO A 58 15.128 35.250 -7.686 1.00 0.00 N ATOM 904 CA PRO A 58 14.212 34.136 -7.837 1.00 0.00 C ATOM 905 C PRO A 58 14.715 32.912 -7.071 1.00 0.00 C ATOM 906 O PRO A 58 15.910 32.772 -6.808 1.00 0.00 O ATOM 907 CB PRO A 58 14.159 33.875 -9.340 1.00 0.00 C ATOM 908 CG PRO A 58 15.560 34.264 -9.804 1.00 0.00 C ATOM 909 CD PRO A 58 15.953 35.408 -8.870 1.00 0.00 C ATOM 0 HA PRO A 58 13.224 34.353 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.936 32.831 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.391 34.475 -9.827 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.254 33.427 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.562 34.581 -10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.012 35.361 -8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.780 36.375 -9.342 1.00 0.00 H new ATOM 917 N VAL A 59 13.780 32.025 -6.717 1.00 0.00 N ATOM 918 CA VAL A 59 14.046 30.783 -6.002 1.00 0.00 C ATOM 919 C VAL A 59 13.189 29.649 -6.555 1.00 0.00 C ATOM 920 O VAL A 59 12.064 29.889 -6.987 1.00 0.00 O ATOM 921 CB VAL A 59 13.838 30.946 -4.490 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.418 29.753 -3.729 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.474 32.232 -3.951 1.00 0.00 C ATOM 0 H VAL A 59 12.791 32.159 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 59 15.094 30.527 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 59 12.761 31.001 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.259 29.891 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.923 28.838 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.487 29.678 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.300 32.302 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.547 32.216 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.029 33.094 -4.448 1.00 0.00 H new ATOM 933 N GLU A 60 13.714 28.425 -6.540 1.00 0.00 N ATOM 934 CA GLU A 60 13.018 27.249 -7.046 1.00 0.00 C ATOM 935 C GLU A 60 12.905 26.178 -5.968 1.00 0.00 C ATOM 936 O GLU A 60 13.716 26.142 -5.046 1.00 0.00 O ATOM 937 CB GLU A 60 13.745 26.714 -8.283 1.00 0.00 C ATOM 938 CG GLU A 60 13.623 27.694 -9.453 1.00 0.00 C ATOM 939 CD GLU A 60 14.458 27.264 -10.661 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.290 26.342 -10.500 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.255 27.866 -11.738 1.00 0.00 O ATOM 0 H GLU A 60 14.644 28.223 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 60 12.005 27.532 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.797 26.549 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.327 25.748 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.577 27.776 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.941 28.685 -9.129 1.00 0.00 H new ATOM 948 N ILE A 61 11.898 25.309 -6.090 1.00 0.00 N ATOM 949 CA ILE A 61 11.659 24.224 -5.143 1.00 0.00 C ATOM 950 C ILE A 61 11.322 22.951 -5.916 1.00 0.00 C ATOM 951 O ILE A 61 10.713 23.021 -6.982 1.00 0.00 O ATOM 952 CB ILE A 61 10.518 24.598 -4.185 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.782 25.966 -3.540 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.322 23.512 -3.122 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.644 26.386 -2.607 1.00 0.00 C ATOM 0 H ILE A 61 11.223 25.341 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 61 12.556 24.052 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 61 9.595 24.670 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.716 25.929 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.908 26.717 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.509 23.798 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.077 22.567 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.240 23.397 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.871 27.359 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.714 26.449 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.535 25.649 -1.811 1.00 0.00 H new ATOM 967 N VAL A 62 11.717 21.792 -5.379 1.00 0.00 N ATOM 968 CA VAL A 62 11.449 20.494 -5.989 1.00 0.00 C ATOM 969 C VAL A 62 11.103 19.463 -4.921 1.00 0.00 C ATOM 970 O VAL A 62 11.659 19.491 -3.824 1.00 0.00 O ATOM 971 CB VAL A 62 12.656 20.026 -6.816 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.354 18.688 -7.484 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.033 21.036 -7.897 1.00 0.00 C ATOM 0 H VAL A 62 12.235 21.732 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 62 10.594 20.599 -6.657 1.00 0.00 H new ATOM 0 HB VAL A 62 13.493 19.925 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.218 18.369 -8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.135 17.941 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.492 18.796 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.891 20.665 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.190 21.176 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.287 21.989 -7.432 1.00 0.00 H new ATOM 983 N ALA A 63 10.182 18.550 -5.246 1.00 0.00 N ATOM 984 CA ALA A 63 9.794 17.459 -4.363 1.00 0.00 C ATOM 985 C ALA A 63 9.116 16.348 -5.166 1.00 0.00 C ATOM 986 O ALA A 63 8.797 16.526 -6.342 1.00 0.00 O ATOM 987 CB ALA A 63 8.845 17.989 -3.286 1.00 0.00 C ATOM 0 H ALA A 63 9.685 18.552 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 63 10.683 17.047 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.554 17.173 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.348 18.764 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.956 18.408 -3.758 1.00 0.00 H new ATOM 993 N GLN A 64 8.892 15.196 -4.530 1.00 0.00 N ATOM 994 CA GLN A 64 8.244 14.056 -5.167 1.00 0.00 C ATOM 995 C GLN A 64 6.743 14.297 -5.363 1.00 0.00 C ATOM 996 O GLN A 64 6.114 13.618 -6.175 1.00 0.00 O ATOM 997 CB GLN A 64 8.504 12.818 -4.306 1.00 0.00 C ATOM 998 CG GLN A 64 7.796 11.574 -4.856 1.00 0.00 C ATOM 999 CD GLN A 64 8.270 10.286 -4.183 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.186 10.294 -3.360 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.646 9.164 -4.527 1.00 0.00 N ATOM 0 H GLN A 64 9.156 15.031 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 64 8.661 13.907 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.577 12.631 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.165 13.007 -3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.720 11.680 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.971 11.505 -5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.891 9.190 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.922 8.277 -4.106 1.00 0.00 H new ATOM 1010 N ASN A 65 6.161 15.255 -4.629 1.00 0.00 N ATOM 1011 CA ASN A 65 4.731 15.528 -4.695 1.00 0.00 C ATOM 1012 C ASN A 65 4.405 16.958 -4.255 1.00 0.00 C ATOM 1013 O ASN A 65 5.235 17.643 -3.659 1.00 0.00 O ATOM 1014 CB ASN A 65 3.990 14.511 -3.818 1.00 0.00 C ATOM 1015 CG ASN A 65 4.563 14.443 -2.407 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.883 15.462 -1.804 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.701 13.237 -1.865 1.00 0.00 N ATOM 0 H ASN A 65 6.669 15.855 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 65 4.404 15.432 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.934 14.778 -3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.048 13.525 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.082 13.142 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.426 12.407 -2.391 1.00 0.00 H new ATOM 1024 N LYS A 66 3.182 17.411 -4.547 1.00 0.00 N ATOM 1025 CA LYS A 66 2.707 18.726 -4.130 1.00 0.00 C ATOM 1026 C LYS A 66 2.434 18.761 -2.628 1.00 0.00 C ATOM 1027 O LYS A 66 2.365 19.835 -2.036 1.00 0.00 O ATOM 1028 CB LYS A 66 1.434 19.080 -4.904 1.00 0.00 C ATOM 1029 CG LYS A 66 1.713 19.180 -6.404 1.00 0.00 C ATOM 1030 CD LYS A 66 0.435 19.555 -7.152 1.00 0.00 C ATOM 1031 CE LYS A 66 0.726 19.639 -8.649 1.00 0.00 C ATOM 1032 NZ LYS A 66 -0.486 20.016 -9.403 1.00 0.00 N ATOM 0 H LYS A 66 2.497 16.874 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 66 3.483 19.460 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.671 18.323 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.035 20.027 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.485 19.927 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.095 18.229 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.341 18.813 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.057 20.511 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.513 20.371 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.096 18.678 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.262 20.066 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.227 19.304 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.823 20.944 -9.076 1.00 0.00 H new ATOM 1046 N GLU A 67 2.277 17.585 -2.013 1.00 0.00 N ATOM 1047 CA GLU A 67 1.987 17.449 -0.594 1.00 0.00 C ATOM 1048 C GLU A 67 3.168 17.906 0.266 1.00 0.00 C ATOM 1049 O GLU A 67 3.011 18.136 1.463 1.00 0.00 O ATOM 1050 CB GLU A 67 1.612 15.984 -0.324 1.00 0.00 C ATOM 1051 CG GLU A 67 1.374 15.652 1.152 1.00 0.00 C ATOM 1052 CD GLU A 67 0.194 16.412 1.768 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -0.498 17.146 1.026 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -0.014 16.245 2.990 1.00 0.00 O ATOM 0 H GLU A 67 2.350 16.691 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 67 1.152 18.094 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.711 15.743 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.407 15.342 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.197 14.581 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.277 15.880 1.718 1.00 0.00 H new ATOM 1061 N GLN A 68 4.356 18.037 -0.336 1.00 0.00 N ATOM 1062 CA GLN A 68 5.554 18.446 0.381 1.00 0.00 C ATOM 1063 C GLN A 68 6.219 19.658 -0.275 1.00 0.00 C ATOM 1064 O GLN A 68 6.961 20.380 0.391 1.00 0.00 O ATOM 1065 CB GLN A 68 6.531 17.270 0.427 1.00 0.00 C ATOM 1066 CG GLN A 68 5.936 16.065 1.165 1.00 0.00 C ATOM 1067 CD GLN A 68 6.743 14.798 0.913 1.00 0.00 C ATOM 1068 OE1 GLN A 68 6.182 13.725 0.714 1.00 0.00 O ATOM 1069 NE2 GLN A 68 8.072 14.895 0.913 1.00 0.00 N ATOM 0 H GLN A 68 4.506 17.862 -1.330 1.00 0.00 H new ATOM 0 HA GLN A 68 5.271 18.739 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.798 16.979 -0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.451 17.581 0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.906 16.271 2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.907 15.912 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.518 15.797 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.644 14.067 0.745 1.00 0.00 H new ATOM 1078 N CYS A 69 5.961 19.903 -1.567 1.00 0.00 N ATOM 1079 CA CYS A 69 6.564 21.032 -2.260 1.00 0.00 C ATOM 1080 C CYS A 69 5.885 22.325 -1.807 1.00 0.00 C ATOM 1081 O CYS A 69 6.536 23.359 -1.662 1.00 0.00 O ATOM 1082 CB CYS A 69 6.363 20.839 -3.762 1.00 0.00 C ATOM 1083 SG CYS A 69 7.481 21.949 -4.656 1.00 0.00 S ATOM 0 H CYS A 69 5.342 19.334 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 69 7.628 21.093 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.561 19.803 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.328 21.049 -4.033 1.00 0.00 H new ATOM 0 HG CYS A 69 7.807 21.412 -5.794 1.00 0.00 H new ATOM 1089 N GLN A 70 4.566 22.272 -1.575 1.00 0.00 N ATOM 1090 CA GLN A 70 3.809 23.443 -1.154 1.00 0.00 C ATOM 1091 C GLN A 70 4.106 23.813 0.292 1.00 0.00 C ATOM 1092 O GLN A 70 4.010 24.981 0.663 1.00 0.00 O ATOM 1093 CB GLN A 70 2.310 23.174 -1.306 1.00 0.00 C ATOM 1094 CG GLN A 70 1.896 22.991 -2.770 1.00 0.00 C ATOM 1095 CD GLN A 70 2.018 24.275 -3.585 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.276 25.354 -3.053 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.831 24.172 -4.896 1.00 0.00 N ATOM 0 H GLN A 70 4.006 21.425 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 70 4.108 24.276 -1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.045 22.280 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.749 24.002 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.516 22.218 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.866 22.638 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.618 23.265 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.900 25.000 -5.488 1.00 0.00 H new ATOM 1106 N GLU A 71 4.472 22.832 1.121 1.00 0.00 N ATOM 1107 CA GLU A 71 4.768 23.089 2.518 1.00 0.00 C ATOM 1108 C GLU A 71 6.082 23.858 2.645 1.00 0.00 C ATOM 1109 O GLU A 71 6.246 24.660 3.564 1.00 0.00 O ATOM 1110 CB GLU A 71 4.841 21.760 3.274 1.00 0.00 C ATOM 1111 CG GLU A 71 3.535 20.964 3.172 1.00 0.00 C ATOM 1112 CD GLU A 71 2.337 21.677 3.804 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.553 22.668 4.540 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.201 21.223 3.549 1.00 0.00 O ATOM 0 H GLU A 71 4.568 21.856 0.842 1.00 0.00 H new ATOM 0 HA GLU A 71 3.976 23.699 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.661 21.162 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.066 21.952 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.319 20.768 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.669 19.997 3.656 1.00 0.00 H new ATOM 1121 N ALA A 72 7.021 23.621 1.723 1.00 0.00 N ATOM 1122 CA ALA A 72 8.283 24.339 1.698 1.00 0.00 C ATOM 1123 C ALA A 72 8.114 25.707 1.039 1.00 0.00 C ATOM 1124 O ALA A 72 8.850 26.639 1.354 1.00 0.00 O ATOM 1125 CB ALA A 72 9.306 23.499 0.934 1.00 0.00 C ATOM 0 H ALA A 72 6.921 22.929 0.981 1.00 0.00 H new ATOM 0 HA ALA A 72 8.629 24.505 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.260 24.025 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.435 22.539 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.953 23.333 -0.084 1.00 0.00 H new ATOM 1131 N ARG A 73 7.148 25.831 0.126 1.00 0.00 N ATOM 1132 CA ARG A 73 6.871 27.081 -0.565 1.00 0.00 C ATOM 1133 C ARG A 73 6.235 28.097 0.375 1.00 0.00 C ATOM 1134 O ARG A 73 6.578 29.275 0.336 1.00 0.00 O ATOM 1135 CB ARG A 73 5.945 26.779 -1.746 1.00 0.00 C ATOM 1136 CG ARG A 73 5.354 28.042 -2.379 1.00 0.00 C ATOM 1137 CD ARG A 73 6.444 28.972 -2.908 1.00 0.00 C ATOM 1138 NE ARG A 73 5.880 29.983 -3.811 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.049 30.963 -3.436 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.684 31.107 -2.165 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.580 31.812 -4.346 1.00 0.00 N ATOM 0 H ARG A 73 6.538 25.063 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 73 7.803 27.517 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.499 26.225 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.134 26.134 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.687 27.762 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.751 28.571 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.945 29.463 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.200 28.390 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 73 6.140 29.935 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.038 30.464 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.050 31.860 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.854 31.714 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.946 32.561 -4.066 1.00 0.00 H new ATOM 1155 N ASN A 74 5.309 27.641 1.221 1.00 0.00 N ATOM 1156 CA ASN A 74 4.632 28.518 2.163 1.00 0.00 C ATOM 1157 C ASN A 74 5.482 28.823 3.399 1.00 0.00 C ATOM 1158 O ASN A 74 5.152 29.734 4.157 1.00 0.00 O ATOM 1159 CB ASN A 74 3.285 27.900 2.544 1.00 0.00 C ATOM 1160 CG ASN A 74 2.280 28.054 1.411 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.723 29.129 1.205 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.038 26.983 0.665 1.00 0.00 N ATOM 0 H ASN A 74 5.014 26.666 1.269 1.00 0.00 H new ATOM 0 HA ASN A 74 4.465 29.479 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.417 26.844 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.901 28.380 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.372 27.038 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.518 26.105 0.863 1.00 0.00 H new ATOM 1169 N ALA A 75 6.570 28.079 3.621 1.00 0.00 N ATOM 1170 CA ALA A 75 7.439 28.313 4.767 1.00 0.00 C ATOM 1171 C ALA A 75 8.385 29.486 4.522 1.00 0.00 C ATOM 1172 O ALA A 75 8.752 30.189 5.461 1.00 0.00 O ATOM 1173 CB ALA A 75 8.228 27.034 5.042 1.00 0.00 C ATOM 0 H ALA A 75 6.866 27.310 3.019 1.00 0.00 H new ATOM 0 HA ALA A 75 6.830 28.572 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.885 27.189 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.537 26.219 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.826 26.780 4.167 1.00 0.00 H new ATOM 1179 N VAL A 76 8.794 29.706 3.270 1.00 0.00 N ATOM 1180 CA VAL A 76 9.769 30.740 2.943 1.00 0.00 C ATOM 1181 C VAL A 76 9.090 32.106 2.810 1.00 0.00 C ATOM 1182 O VAL A 76 9.765 33.127 2.712 1.00 0.00 O ATOM 1183 CB VAL A 76 10.509 30.344 1.659 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.548 31.378 1.233 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.242 29.017 1.877 1.00 0.00 C ATOM 0 H VAL A 76 8.461 29.177 2.464 1.00 0.00 H new ATOM 0 HA VAL A 76 10.496 30.827 3.751 1.00 0.00 H new ATOM 0 HB VAL A 76 9.753 30.267 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.040 31.045 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.057 32.334 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.290 31.494 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.767 28.737 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.960 29.127 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.521 28.241 2.133 1.00 0.00 H new ATOM 1195 N MET A 77 7.756 32.140 2.805 1.00 0.00 N ATOM 1196 CA MET A 77 7.025 33.386 2.637 1.00 0.00 C ATOM 1197 C MET A 77 6.813 34.153 3.942 1.00 0.00 C ATOM 1198 O MET A 77 6.273 35.259 3.908 1.00 0.00 O ATOM 1199 CB MET A 77 5.681 33.091 1.969 1.00 0.00 C ATOM 1200 CG MET A 77 5.870 32.447 0.592 1.00 0.00 C ATOM 1201 SD MET A 77 6.437 33.573 -0.711 1.00 0.00 S ATOM 1202 CE MET A 77 8.212 33.223 -0.661 1.00 0.00 C ATOM 0 H MET A 77 7.165 31.316 2.916 1.00 0.00 H new ATOM 0 HA MET A 77 7.634 34.034 2.007 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.095 32.428 2.605 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.114 34.016 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.588 31.632 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.923 32.004 0.282 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.746 34.103 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.399 32.386 0.012 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.561 32.969 -1.662 1.00 0.00 H new ATOM 1212 N SER A 78 7.222 33.598 5.090 1.00 0.00 N ATOM 1213 CA SER A 78 7.050 34.292 6.359 1.00 0.00 C ATOM 1214 C SER A 78 7.974 33.766 7.454 1.00 0.00 C ATOM 1215 O SER A 78 8.487 34.549 8.255 1.00 0.00 O ATOM 1216 CB SER A 78 5.594 34.152 6.804 1.00 0.00 C ATOM 1217 OG SER A 78 5.402 34.740 8.074 1.00 0.00 O ATOM 0 H SER A 78 7.668 32.683 5.160 1.00 0.00 H new ATOM 0 HA SER A 78 7.312 35.338 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.938 34.627 6.075 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.319 33.098 6.840 1.00 0.00 H new ATOM 0 HG SER A 78 4.464 34.642 8.341 1.00 0.00 H new ATOM 1223 N LEU A 79 8.196 32.448 7.507 1.00 0.00 N ATOM 1224 CA LEU A 79 9.020 31.862 8.552 1.00 0.00 C ATOM 1225 C LEU A 79 10.495 31.895 8.163 1.00 0.00 C ATOM 1226 O LEU A 79 11.341 32.291 8.962 1.00 0.00 O ATOM 1227 CB LEU A 79 8.572 30.415 8.793 1.00 0.00 C ATOM 1228 CG LEU A 79 7.082 30.317 9.126 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.716 28.850 9.346 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.745 31.103 10.389 1.00 0.00 C ATOM 0 H LEU A 79 7.816 31.776 6.840 1.00 0.00 H new ATOM 0 HA LEU A 79 8.899 32.443 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.784 29.819 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.154 29.988 9.610 1.00 0.00 H new ATOM 0 HG LEU A 79 6.516 30.737 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.655 28.771 9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.928 28.282 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.304 28.448 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.679 31.014 10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.315 30.705 11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.000 32.153 10.243 1.00 0.00 H new ATOM 1242 N MET A 80 10.781 31.481 6.924 1.00 0.00 N ATOM 1243 CA MET A 80 12.111 31.405 6.335 1.00 0.00 C ATOM 1244 C MET A 80 13.095 30.557 7.145 1.00 0.00 C ATOM 1245 O MET A 80 14.241 30.405 6.732 1.00 0.00 O ATOM 1246 CB MET A 80 12.658 32.815 6.086 1.00 0.00 C ATOM 1247 CG MET A 80 11.627 33.675 5.356 1.00 0.00 C ATOM 1248 SD MET A 80 12.258 35.269 4.779 1.00 0.00 S ATOM 1249 CE MET A 80 13.181 34.697 3.329 1.00 0.00 C ATOM 0 H MET A 80 10.052 31.176 6.278 1.00 0.00 H new ATOM 0 HA MET A 80 12.004 30.888 5.381 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.920 33.281 7.036 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.573 32.756 5.496 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.247 33.117 4.500 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.782 33.852 6.022 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.588 35.556 2.795 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.997 34.049 3.649 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.514 34.142 2.669 1.00 0.00 H new ATOM 1259 N GLN A 81 12.660 30.003 8.285 1.00 0.00 N ATOM 1260 CA GLN A 81 13.485 29.204 9.183 1.00 0.00 C ATOM 1261 C GLN A 81 14.785 29.895 9.600 1.00 0.00 C ATOM 1262 O GLN A 81 15.710 29.241 10.070 1.00 0.00 O ATOM 1263 CB GLN A 81 13.710 27.799 8.610 1.00 0.00 C ATOM 1264 CG GLN A 81 12.402 27.002 8.565 1.00 0.00 C ATOM 1265 CD GLN A 81 11.810 26.767 9.953 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.509 26.820 10.964 1.00 0.00 O ATOM 1267 NE2 GLN A 81 10.508 26.502 10.015 1.00 0.00 N ATOM 0 H GLN A 81 11.699 30.105 8.611 1.00 0.00 H new ATOM 0 HA GLN A 81 12.927 29.095 10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.127 27.876 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.442 27.268 9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.677 27.535 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.583 26.041 8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.954 26.465 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.064 26.336 10.918 1.00 0.00 H new ATOM 1276 N SER A 82 14.869 31.219 9.433 1.00 0.00 N ATOM 1277 CA SER A 82 16.062 31.977 9.792 1.00 0.00 C ATOM 1278 C SER A 82 16.198 32.108 11.309 1.00 0.00 C ATOM 1279 O SER A 82 17.261 32.476 11.810 1.00 0.00 O ATOM 1280 CB SER A 82 15.993 33.351 9.131 1.00 0.00 C ATOM 1281 OG SER A 82 17.159 34.097 9.411 1.00 0.00 O ATOM 0 H SER A 82 14.115 31.788 9.048 1.00 0.00 H new ATOM 0 HA SER A 82 16.944 31.446 9.435 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.878 33.237 8.053 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.116 33.889 9.490 1.00 0.00 H new ATOM 0 HG SER A 82 17.609 33.718 10.195 1.00 0.00 H new ATOM 1287 N HIS A 83 15.126 31.804 12.048 1.00 0.00 N ATOM 1288 CA HIS A 83 15.114 31.888 13.502 1.00 0.00 C ATOM 1289 C HIS A 83 15.857 30.724 14.154 1.00 0.00 C ATOM 1290 O HIS A 83 15.957 30.665 15.377 1.00 0.00 O ATOM 1291 CB HIS A 83 13.667 31.956 13.983 1.00 0.00 C ATOM 1292 CG HIS A 83 12.882 33.057 13.327 1.00 0.00 C ATOM 1293 ND1 HIS A 83 13.125 34.415 13.438 1.00 0.00 N ATOM 1294 CD2 HIS A 83 11.784 32.896 12.532 1.00 0.00 C ATOM 1295 CE1 HIS A 83 12.193 35.062 12.715 1.00 0.00 C ATOM 1296 NE2 HIS A 83 11.369 34.158 12.151 1.00 0.00 N ATOM 0 H HIS A 83 14.241 31.492 11.647 1.00 0.00 H new ATOM 0 HA HIS A 83 15.643 32.793 13.801 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.179 31.002 13.785 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.655 32.102 15.063 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.326 31.959 12.253 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.118 36.134 12.605 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.575 34.369 11.546 1.00 0.00 H new ATOM 1305 N GLN A 84 16.377 29.795 13.347 1.00 0.00 N ATOM 1306 CA GLN A 84 17.098 28.638 13.855 1.00 0.00 C ATOM 1307 C GLN A 84 18.510 28.996 14.325 1.00 0.00 C ATOM 1308 O GLN A 84 19.168 28.172 14.956 1.00 0.00 O ATOM 1309 CB GLN A 84 17.152 27.553 12.775 1.00 0.00 C ATOM 1310 CG GLN A 84 15.748 27.048 12.421 1.00 0.00 C ATOM 1311 CD GLN A 84 15.047 26.369 13.593 1.00 0.00 C ATOM 1312 OE1 GLN A 84 15.657 26.059 14.613 1.00 0.00 O ATOM 1313 NE2 GLN A 84 13.744 26.132 13.452 1.00 0.00 N ATOM 0 H GLN A 84 16.308 29.828 12.330 1.00 0.00 H new ATOM 0 HA GLN A 84 16.559 28.264 14.726 1.00 0.00 H new ATOM 0 HB2 GLN A 84 17.634 27.950 11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.763 26.720 13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.142 27.887 12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.819 26.346 11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.267 26.402 12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.223 25.681 14.204 1.00 0.00 H new ATOM 1322 N ASP A 85 18.971 30.214 14.025 1.00 0.00 N ATOM 1323 CA ASP A 85 20.280 30.700 14.447 1.00 0.00 C ATOM 1324 C ASP A 85 20.385 31.067 15.932 1.00 0.00 C ATOM 1325 O ASP A 85 21.341 31.724 16.350 1.00 0.00 O ATOM 1326 CB ASP A 85 20.795 31.799 13.515 1.00 0.00 C ATOM 1327 CG ASP A 85 21.225 31.269 12.145 1.00 0.00 C ATOM 1328 OD1 ASP A 85 21.716 32.097 11.345 1.00 0.00 O ATOM 1329 OD2 ASP A 85 21.068 30.051 11.897 1.00 0.00 O ATOM 0 H ASP A 85 18.440 30.892 13.479 1.00 0.00 H new ATOM 0 HA ASP A 85 20.952 29.847 14.351 1.00 0.00 H new ATOM 0 HB2 ASP A 85 20.015 32.548 13.380 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.640 32.300 13.986 1.00 0.00 H new ATOM 1334 N LYS A 86 19.399 30.643 16.728 1.00 0.00 N ATOM 1335 CA LYS A 86 19.362 30.880 18.166 1.00 0.00 C ATOM 1336 C LYS A 86 20.463 30.120 18.913 1.00 0.00 C ATOM 1337 O LYS A 86 21.188 29.328 18.267 1.00 0.00 O ATOM 1338 CB LYS A 86 17.958 30.563 18.703 1.00 0.00 C ATOM 1339 CG LYS A 86 17.402 29.195 18.288 1.00 0.00 C ATOM 1340 CD LYS A 86 18.205 28.020 18.851 1.00 0.00 C ATOM 1341 CE LYS A 86 17.486 26.692 18.601 1.00 0.00 C ATOM 1342 NZ LYS A 86 17.313 26.422 17.166 1.00 0.00 N ATOM 0 H LYS A 86 18.595 30.119 16.383 1.00 0.00 H new ATOM 0 HA LYS A 86 19.569 31.935 18.348 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.981 30.615 19.792 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.271 31.337 18.362 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.368 29.114 18.623 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.390 29.130 17.200 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.192 27.995 18.389 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.357 28.159 19.921 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.054 25.881 19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.510 26.711 19.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.581 25.438 16.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.318 26.572 16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.918 27.065 16.616 1.00 0.00 H new TER 1356 LYS A 86