USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=26 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= 0.268 K(o=0.19,f=-4.7) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.0736 K(o=0.19,f=-5.8!) USER MOD Set 2.1: A 19 THR OG1 : rot 92:sc= 0.0301 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 4 HIS : +bothHN:sc= 1.02 K(o=1.2,f=-4.3!) USER MOD Set 3.2: A 8 CYS SG : rot 180:sc= 0.177 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0.0831 USER MOD Set 4.2: A 64 GLN : amide:sc= -0.01 K(o=0.073,f=-1.2) USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.112 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.723 K(o=-0.72,f=-2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.06) USER MOD Single : A 28 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.02) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 0.818 (180deg=0.694) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.0871 F(o=-0.68,f=-0.087) USER MOD Single : A 39 GLN : amide:sc= 0.0876 K(o=0.088,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.3) USER MOD Single : A 42 CYS SG : rot 120:sc= -0.778 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.73 K(o=1.7,f=-5.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 52 SER OG : rot -135:sc= 0.582 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.174 K(o=-0.17,f=-3.4!) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.601) USER MOD Single : A 68 GLN : amide:sc=-0.00331 K(o=-0.0033,f=-1.2) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.612 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 74 ASN : amide:sc= 0.853 K(o=0.85,f=0) USER MOD Single : A 77 MET CE :methyl 165:sc= -0.0386 (180deg=-0.525) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -127:sc= -0.039 (180deg=-1.11) USER MOD Single : A 82 SER OG : rot -62:sc= 1.22 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.962) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.743 0.783 -10.461 1.00 0.00 N ATOM 2 CA SER A 1 23.225 0.904 -9.086 1.00 0.00 C ATOM 3 C SER A 1 22.212 2.044 -8.993 1.00 0.00 C ATOM 4 O SER A 1 22.078 2.840 -9.923 1.00 0.00 O ATOM 5 CB SER A 1 24.377 1.125 -8.105 1.00 0.00 C ATOM 6 OG SER A 1 25.030 2.342 -8.410 1.00 0.00 O ATOM 0 H1 SER A 1 23.420 -0.114 -10.876 1.00 0.00 H new ATOM 0 H2 SER A 1 23.392 1.576 -11.035 1.00 0.00 H new ATOM 0 H3 SER A 1 24.783 0.802 -10.443 1.00 0.00 H new ATOM 0 HA SER A 1 22.718 -0.024 -8.822 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.999 1.149 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 1 25.083 0.297 -8.164 1.00 0.00 H new ATOM 0 HG SER A 1 25.767 2.484 -7.780 1.00 0.00 H new ATOM 12 N GLY A 2 21.494 2.126 -7.869 1.00 0.00 N ATOM 13 CA GLY A 2 20.507 3.172 -7.641 1.00 0.00 C ATOM 14 C GLY A 2 19.197 2.906 -8.381 1.00 0.00 C ATOM 15 O GLY A 2 18.307 3.756 -8.387 1.00 0.00 O ATOM 0 H GLY A 2 21.584 1.467 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.308 3.253 -6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 2 20.915 4.130 -7.963 1.00 0.00 H new ATOM 19 N SER A 3 19.062 1.732 -9.007 1.00 0.00 N ATOM 20 CA SER A 3 17.857 1.370 -9.738 1.00 0.00 C ATOM 21 C SER A 3 16.671 1.230 -8.792 1.00 0.00 C ATOM 22 O SER A 3 16.826 0.830 -7.635 1.00 0.00 O ATOM 23 CB SER A 3 18.098 0.079 -10.519 1.00 0.00 C ATOM 24 OG SER A 3 18.437 -0.973 -9.639 1.00 0.00 O ATOM 0 H SER A 3 19.785 1.013 -9.018 1.00 0.00 H new ATOM 0 HA SER A 3 17.618 2.164 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.203 -0.184 -11.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.899 0.229 -11.243 1.00 0.00 H new ATOM 0 HG SER A 3 18.587 -1.794 -10.153 1.00 0.00 H new ATOM 30 N HIS A 4 15.474 1.563 -9.287 1.00 0.00 N ATOM 31 CA HIS A 4 14.242 1.490 -8.511 1.00 0.00 C ATOM 32 C HIS A 4 13.035 1.413 -9.443 1.00 0.00 C ATOM 33 O HIS A 4 13.088 1.891 -10.578 1.00 0.00 O ATOM 34 CB HIS A 4 14.134 2.707 -7.587 1.00 0.00 C ATOM 35 CG HIS A 4 14.334 4.023 -8.297 1.00 0.00 C ATOM 36 ND1 HIS A 4 15.545 4.556 -8.703 1.00 0.00 N ATOM 37 CD2 HIS A 4 13.355 4.914 -8.637 1.00 0.00 C ATOM 38 CE1 HIS A 4 15.300 5.745 -9.283 1.00 0.00 C ATOM 39 NE2 HIS A 4 13.973 5.982 -9.258 1.00 0.00 N ATOM 0 H HIS A 4 15.337 1.892 -10.243 1.00 0.00 H new ATOM 0 HA HIS A 4 14.260 0.589 -7.899 1.00 0.00 H new ATOM 0 HB2 HIS A 4 13.153 2.706 -7.111 1.00 0.00 H new ATOM 0 HB3 HIS A 4 14.874 2.616 -6.792 1.00 0.00 H new ATOM 0 HD1 HIS A 4 16.461 4.124 -8.584 1.00 0.00 H new ATOM 0 HD2 HIS A 4 12.296 4.804 -8.454 1.00 0.00 H new ATOM 0 HE1 HIS A 4 16.046 6.404 -9.701 1.00 0.00 H new ATOM 0 HE2 HIS A 4 13.506 6.808 -9.633 1.00 0.00 H new ATOM 48 N MET A 5 11.944 0.807 -8.965 1.00 0.00 N ATOM 49 CA MET A 5 10.721 0.662 -9.744 1.00 0.00 C ATOM 50 C MET A 5 9.773 1.846 -9.540 1.00 0.00 C ATOM 51 O MET A 5 8.776 1.969 -10.252 1.00 0.00 O ATOM 52 CB MET A 5 10.049 -0.672 -9.388 1.00 0.00 C ATOM 53 CG MET A 5 9.697 -0.792 -7.902 1.00 0.00 C ATOM 54 SD MET A 5 8.274 0.198 -7.372 1.00 0.00 S ATOM 55 CE MET A 5 8.281 -0.225 -5.610 1.00 0.00 C ATOM 0 H MET A 5 11.889 0.406 -8.029 1.00 0.00 H new ATOM 0 HA MET A 5 10.977 0.657 -10.803 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.141 -0.783 -9.980 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.713 -1.491 -9.665 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.498 -1.839 -7.674 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.566 -0.498 -7.313 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.465 0.295 -5.108 1.00 0.00 H new ATOM 0 HE2 MET A 5 8.151 -1.301 -5.494 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.231 0.076 -5.167 1.00 0.00 H new ATOM 65 N LYS A 6 10.073 2.723 -8.573 1.00 0.00 N ATOM 66 CA LYS A 6 9.254 3.890 -8.283 1.00 0.00 C ATOM 67 C LYS A 6 9.435 4.963 -9.353 1.00 0.00 C ATOM 68 O LYS A 6 10.359 4.898 -10.162 1.00 0.00 O ATOM 69 CB LYS A 6 9.616 4.445 -6.897 1.00 0.00 C ATOM 70 CG LYS A 6 9.360 3.397 -5.812 1.00 0.00 C ATOM 71 CD LYS A 6 9.598 3.977 -4.415 1.00 0.00 C ATOM 72 CE LYS A 6 11.043 4.460 -4.258 1.00 0.00 C ATOM 73 NZ LYS A 6 11.280 4.994 -2.906 1.00 0.00 N ATOM 0 H LYS A 6 10.893 2.636 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 6 8.206 3.590 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.664 4.743 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.027 5.339 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.335 3.034 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.015 2.540 -5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.913 4.807 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.380 3.220 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.728 3.635 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.255 5.231 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.266 5.314 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.641 5.796 -2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.100 4.250 -2.202 1.00 0.00 H new ATOM 87 N THR A 7 8.540 5.951 -9.347 1.00 0.00 N ATOM 88 CA THR A 7 8.567 7.056 -10.296 1.00 0.00 C ATOM 89 C THR A 7 9.794 7.958 -10.200 1.00 0.00 C ATOM 90 O THR A 7 10.486 7.978 -9.181 1.00 0.00 O ATOM 91 CB THR A 7 7.260 7.860 -10.294 1.00 0.00 C ATOM 92 OG1 THR A 7 7.360 8.912 -9.363 1.00 0.00 O ATOM 93 CG2 THR A 7 6.045 7.005 -9.943 1.00 0.00 C ATOM 0 H THR A 7 7.772 6.004 -8.678 1.00 0.00 H new ATOM 0 HA THR A 7 8.657 6.572 -11.268 1.00 0.00 H new ATOM 0 HB THR A 7 7.116 8.243 -11.304 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.527 9.428 -9.361 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.148 7.624 -9.956 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.942 6.202 -10.673 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.176 6.577 -8.949 1.00 0.00 H new ATOM 101 N CYS A 8 10.056 8.708 -11.277 1.00 0.00 N ATOM 102 CA CYS A 8 11.153 9.660 -11.335 1.00 0.00 C ATOM 103 C CYS A 8 10.649 11.083 -11.564 1.00 0.00 C ATOM 104 O CYS A 8 11.445 12.021 -11.606 1.00 0.00 O ATOM 105 CB CYS A 8 12.137 9.241 -12.430 1.00 0.00 C ATOM 106 SG CYS A 8 12.889 7.656 -11.986 1.00 0.00 S ATOM 0 H CYS A 8 9.505 8.665 -12.134 1.00 0.00 H new ATOM 0 HA CYS A 8 11.667 9.656 -10.374 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.620 9.156 -13.386 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.909 10.001 -12.551 1.00 0.00 H new ATOM 0 HG CYS A 8 13.724 7.296 -12.915 1.00 0.00 H new ATOM 112 N VAL A 9 9.332 11.253 -11.710 1.00 0.00 N ATOM 113 CA VAL A 9 8.722 12.562 -11.894 1.00 0.00 C ATOM 114 C VAL A 9 8.758 13.380 -10.603 1.00 0.00 C ATOM 115 O VAL A 9 8.671 12.826 -9.508 1.00 0.00 O ATOM 116 CB VAL A 9 7.306 12.409 -12.465 1.00 0.00 C ATOM 117 CG1 VAL A 9 6.335 11.855 -11.422 1.00 0.00 C ATOM 118 CG2 VAL A 9 6.774 13.758 -12.944 1.00 0.00 C ATOM 0 H VAL A 9 8.663 10.483 -11.703 1.00 0.00 H new ATOM 0 HA VAL A 9 9.306 13.126 -12.622 1.00 0.00 H new ATOM 0 HB VAL A 9 7.374 11.710 -13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.343 11.760 -11.863 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.679 10.876 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.290 12.533 -10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.769 13.631 -13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.745 14.456 -12.107 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.428 14.152 -13.722 1.00 0.00 H new ATOM 128 N VAL A 10 8.886 14.702 -10.735 1.00 0.00 N ATOM 129 CA VAL A 10 8.961 15.607 -9.595 1.00 0.00 C ATOM 130 C VAL A 10 8.212 16.901 -9.881 1.00 0.00 C ATOM 131 O VAL A 10 8.071 17.315 -11.032 1.00 0.00 O ATOM 132 CB VAL A 10 10.416 15.897 -9.208 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.193 14.609 -8.926 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.139 16.669 -10.312 1.00 0.00 C ATOM 0 H VAL A 10 8.940 15.172 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 10 8.483 15.114 -8.749 1.00 0.00 H new ATOM 0 HB VAL A 10 10.380 16.500 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.220 14.855 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.720 14.071 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.194 13.982 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.168 16.860 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.134 16.081 -11.230 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.630 17.617 -10.486 1.00 0.00 H new ATOM 144 N GLU A 11 7.735 17.543 -8.817 1.00 0.00 N ATOM 145 CA GLU A 11 7.027 18.812 -8.884 1.00 0.00 C ATOM 146 C GLU A 11 8.002 19.987 -8.822 1.00 0.00 C ATOM 147 O GLU A 11 9.146 19.823 -8.408 1.00 0.00 O ATOM 148 CB GLU A 11 6.018 18.891 -7.737 1.00 0.00 C ATOM 149 CG GLU A 11 4.896 17.868 -7.938 1.00 0.00 C ATOM 150 CD GLU A 11 4.018 18.194 -9.148 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.254 17.295 -9.562 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.116 19.335 -9.651 1.00 0.00 O ATOM 0 H GLU A 11 7.834 17.186 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 11 6.498 18.871 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.522 18.705 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.597 19.895 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.331 16.877 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.276 17.832 -7.042 1.00 0.00 H new ATOM 159 N LYS A 12 7.538 21.170 -9.240 1.00 0.00 N ATOM 160 CA LYS A 12 8.340 22.386 -9.237 1.00 0.00 C ATOM 161 C LYS A 12 7.512 23.619 -8.896 1.00 0.00 C ATOM 162 O LYS A 12 6.320 23.684 -9.183 1.00 0.00 O ATOM 163 CB LYS A 12 9.039 22.578 -10.585 1.00 0.00 C ATOM 164 CG LYS A 12 10.399 21.881 -10.603 1.00 0.00 C ATOM 165 CD LYS A 12 11.101 22.130 -11.935 1.00 0.00 C ATOM 166 CE LYS A 12 12.512 21.541 -11.878 1.00 0.00 C ATOM 167 NZ LYS A 12 13.232 21.758 -13.148 1.00 0.00 N ATOM 0 H LYS A 12 6.590 21.305 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 12 9.093 22.268 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.412 22.180 -11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.169 23.642 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.016 22.250 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.269 20.810 -10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.536 21.674 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.148 23.199 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.067 21.999 -11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.455 20.473 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.186 21.348 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.713 21.300 -13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.306 22.778 -13.335 1.00 0.00 H new ATOM 181 N ILE A 13 8.182 24.594 -8.277 1.00 0.00 N ATOM 182 CA ILE A 13 7.624 25.887 -7.910 1.00 0.00 C ATOM 183 C ILE A 13 8.714 26.938 -8.076 1.00 0.00 C ATOM 184 O ILE A 13 9.899 26.639 -7.920 1.00 0.00 O ATOM 185 CB ILE A 13 7.086 25.848 -6.468 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.773 25.060 -6.414 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.862 27.261 -5.921 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.186 25.034 -5.003 1.00 0.00 C ATOM 0 H ILE A 13 9.162 24.496 -8.011 1.00 0.00 H new ATOM 0 HA ILE A 13 6.783 26.138 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 13 7.832 25.353 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.053 25.506 -7.100 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.947 24.039 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.482 27.200 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.806 27.806 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.139 27.783 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.256 24.466 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.896 24.564 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.987 26.054 -4.673 1.00 0.00 H new ATOM 200 N LYS A 14 8.319 28.177 -8.387 1.00 0.00 N ATOM 201 CA LYS A 14 9.246 29.293 -8.515 1.00 0.00 C ATOM 202 C LYS A 14 8.619 30.552 -7.925 1.00 0.00 C ATOM 203 O LYS A 14 7.432 30.805 -8.125 1.00 0.00 O ATOM 204 CB LYS A 14 9.625 29.482 -9.988 1.00 0.00 C ATOM 205 CG LYS A 14 10.575 30.666 -10.169 1.00 0.00 C ATOM 206 CD LYS A 14 10.930 30.827 -11.645 1.00 0.00 C ATOM 207 CE LYS A 14 11.934 31.967 -11.815 1.00 0.00 C ATOM 208 NZ LYS A 14 12.291 32.153 -13.234 1.00 0.00 N ATOM 0 H LYS A 14 7.345 28.429 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 14 10.160 29.085 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.096 28.574 -10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.724 29.642 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.108 31.578 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.481 30.509 -9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.351 29.899 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.030 31.033 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.511 32.890 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.832 31.754 -11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.974 32.933 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.716 31.278 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.436 32.379 -13.780 1.00 0.00 H new ATOM 222 N GLN A 15 9.417 31.338 -7.200 1.00 0.00 N ATOM 223 CA GLN A 15 8.944 32.572 -6.598 1.00 0.00 C ATOM 224 C GLN A 15 10.109 33.496 -6.259 1.00 0.00 C ATOM 225 O GLN A 15 11.207 33.035 -5.952 1.00 0.00 O ATOM 226 CB GLN A 15 8.115 32.239 -5.352 1.00 0.00 C ATOM 227 CG GLN A 15 7.624 33.497 -4.625 1.00 0.00 C ATOM 228 CD GLN A 15 6.807 34.399 -5.542 1.00 0.00 C ATOM 229 OE1 GLN A 15 5.975 33.927 -6.309 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.038 35.705 -5.468 1.00 0.00 N ATOM 0 H GLN A 15 10.400 31.134 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 15 8.313 33.102 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.258 31.631 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.716 31.639 -4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.018 33.207 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.480 34.051 -4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.738 36.063 -4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.515 36.350 -6.061 1.00 0.00 H new ATOM 239 N TRP A 16 9.858 34.806 -6.311 1.00 0.00 N ATOM 240 CA TRP A 16 10.841 35.837 -6.012 1.00 0.00 C ATOM 241 C TRP A 16 10.771 36.238 -4.540 1.00 0.00 C ATOM 242 O TRP A 16 9.693 36.242 -3.943 1.00 0.00 O ATOM 243 CB TRP A 16 10.554 37.054 -6.897 1.00 0.00 C ATOM 244 CG TRP A 16 10.537 36.781 -8.366 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.523 36.198 -9.043 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.585 37.015 -9.355 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.869 36.053 -10.370 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.129 36.550 -10.623 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.870 37.593 -9.316 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.910 36.640 -11.780 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.656 37.701 -10.476 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.180 37.219 -11.702 1.00 0.00 C ATOM 0 H TRP A 16 8.945 35.182 -6.568 1.00 0.00 H new ATOM 0 HA TRP A 16 11.842 35.453 -6.211 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.589 37.473 -6.610 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.306 37.817 -6.694 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.582 35.892 -8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.267 35.630 -11.077 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.258 37.960 -8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.536 36.267 -12.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.633 38.158 -10.422 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.794 37.295 -12.587 1.00 0.00 H new ATOM 263 N ILE A 17 11.925 36.582 -3.957 1.00 0.00 N ATOM 264 CA ILE A 17 12.012 37.154 -2.619 1.00 0.00 C ATOM 265 C ILE A 17 12.939 38.362 -2.714 1.00 0.00 C ATOM 266 O ILE A 17 13.884 38.358 -3.504 1.00 0.00 O ATOM 267 CB ILE A 17 12.504 36.126 -1.582 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.030 36.145 -1.437 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.996 34.713 -1.875 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.503 35.152 -0.378 1.00 0.00 C ATOM 0 H ILE A 17 12.832 36.468 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 17 11.025 37.459 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 17 12.077 36.429 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.491 35.904 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.359 37.149 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.371 34.027 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.906 34.708 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.349 34.396 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.590 35.192 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.062 35.409 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.196 34.145 -0.660 1.00 0.00 H new ATOM 282 N PRO A 18 12.692 39.406 -1.915 1.00 0.00 N ATOM 283 CA PRO A 18 13.495 40.615 -1.926 1.00 0.00 C ATOM 284 C PRO A 18 14.926 40.291 -1.515 1.00 0.00 C ATOM 285 O PRO A 18 15.149 39.498 -0.602 1.00 0.00 O ATOM 286 CB PRO A 18 12.817 41.569 -0.941 1.00 0.00 C ATOM 287 CG PRO A 18 12.065 40.627 -0.002 1.00 0.00 C ATOM 288 CD PRO A 18 11.630 39.503 -0.935 1.00 0.00 C ATOM 0 HA PRO A 18 13.557 41.068 -2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.545 42.177 -0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.140 42.257 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.704 40.262 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.212 41.118 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.504 38.565 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.674 39.729 -1.408 1.00 0.00 H new ATOM 296 N THR A 19 15.899 40.906 -2.189 1.00 0.00 N ATOM 297 CA THR A 19 17.308 40.628 -1.951 1.00 0.00 C ATOM 298 C THR A 19 17.808 40.910 -0.534 1.00 0.00 C ATOM 299 O THR A 19 18.887 40.462 -0.151 1.00 0.00 O ATOM 300 CB THR A 19 18.197 41.253 -3.030 1.00 0.00 C ATOM 301 OG1 THR A 19 17.479 41.362 -4.242 1.00 0.00 O ATOM 302 CG2 THR A 19 19.467 40.433 -3.268 1.00 0.00 C ATOM 0 H THR A 19 15.729 41.607 -2.911 1.00 0.00 H new ATOM 0 HA THR A 19 17.391 39.544 -2.032 1.00 0.00 H new ATOM 0 HB THR A 19 18.492 42.241 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.047 42.240 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.069 40.911 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.042 40.376 -2.344 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.196 39.427 -3.590 1.00 0.00 H new ATOM 310 N THR A 20 17.019 41.653 0.246 1.00 0.00 N ATOM 311 CA THR A 20 17.328 41.942 1.639 1.00 0.00 C ATOM 312 C THR A 20 17.030 40.798 2.604 1.00 0.00 C ATOM 313 O THR A 20 17.469 40.828 3.753 1.00 0.00 O ATOM 314 CB THR A 20 16.699 43.262 2.100 1.00 0.00 C ATOM 315 OG1 THR A 20 15.392 43.025 2.571 1.00 0.00 O ATOM 316 CG2 THR A 20 16.633 44.293 0.973 1.00 0.00 C ATOM 0 H THR A 20 16.146 42.070 -0.077 1.00 0.00 H new ATOM 0 HA THR A 20 18.411 42.058 1.671 1.00 0.00 H new ATOM 0 HB THR A 20 17.331 43.662 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.993 43.870 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.180 45.212 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.640 44.505 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.031 43.899 0.154 1.00 0.00 H new ATOM 324 N GLU A 21 16.288 39.787 2.139 1.00 0.00 N ATOM 325 CA GLU A 21 15.947 38.624 2.950 1.00 0.00 C ATOM 326 C GLU A 21 16.738 37.395 2.506 1.00 0.00 C ATOM 327 O GLU A 21 16.733 36.373 3.194 1.00 0.00 O ATOM 328 CB GLU A 21 14.446 38.347 2.849 1.00 0.00 C ATOM 329 CG GLU A 21 13.577 39.546 3.249 1.00 0.00 C ATOM 330 CD GLU A 21 13.700 39.925 4.728 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.166 41.000 5.080 1.00 0.00 O ATOM 332 OE2 GLU A 21 14.317 39.151 5.493 1.00 0.00 O ATOM 0 H GLU A 21 15.910 39.756 1.192 1.00 0.00 H new ATOM 0 HA GLU A 21 16.208 38.838 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.205 38.059 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.197 37.499 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.854 40.405 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.534 39.319 3.026 1.00 0.00 H new ATOM 339 N VAL A 22 17.424 37.473 1.360 1.00 0.00 N ATOM 340 CA VAL A 22 18.226 36.359 0.862 1.00 0.00 C ATOM 341 C VAL A 22 19.371 36.075 1.830 1.00 0.00 C ATOM 342 O VAL A 22 19.892 34.960 1.867 1.00 0.00 O ATOM 343 CB VAL A 22 18.764 36.698 -0.533 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.675 35.592 -1.074 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.612 36.875 -1.521 1.00 0.00 C ATOM 0 H VAL A 22 17.437 38.299 0.762 1.00 0.00 H new ATOM 0 HA VAL A 22 17.607 35.465 0.789 1.00 0.00 H new ATOM 0 HB VAL A 22 19.334 37.622 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.036 35.870 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.523 35.459 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.115 34.659 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.011 37.115 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.036 35.951 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.965 37.685 -1.184 1.00 0.00 H new ATOM 355 N GLY A 23 19.774 37.077 2.619 1.00 0.00 N ATOM 356 CA GLY A 23 20.850 36.927 3.583 1.00 0.00 C ATOM 357 C GLY A 23 20.462 35.990 4.724 1.00 0.00 C ATOM 358 O GLY A 23 21.332 35.535 5.466 1.00 0.00 O ATOM 0 H GLY A 23 19.360 38.009 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.737 36.540 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.114 37.904 3.988 1.00 0.00 H new ATOM 362 N LYS A 24 19.169 35.689 4.880 1.00 0.00 N ATOM 363 CA LYS A 24 18.705 34.753 5.899 1.00 0.00 C ATOM 364 C LYS A 24 18.692 33.324 5.366 1.00 0.00 C ATOM 365 O LYS A 24 18.748 32.379 6.152 1.00 0.00 O ATOM 366 CB LYS A 24 17.312 35.163 6.379 1.00 0.00 C ATOM 367 CG LYS A 24 17.363 36.546 7.025 1.00 0.00 C ATOM 368 CD LYS A 24 15.954 36.994 7.402 1.00 0.00 C ATOM 369 CE LYS A 24 16.012 38.386 8.031 1.00 0.00 C ATOM 370 NZ LYS A 24 14.659 38.932 8.228 1.00 0.00 N ATOM 0 H LYS A 24 18.424 36.085 4.307 1.00 0.00 H new ATOM 0 HA LYS A 24 19.396 34.785 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.618 35.171 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.937 34.432 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.995 36.520 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.810 37.263 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.317 37.009 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.511 36.285 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.531 38.335 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.588 39.054 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.717 39.814 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.226 39.128 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.077 38.241 8.743 1.00 0.00 H new ATOM 384 N ILE A 25 18.617 33.156 4.040 1.00 0.00 N ATOM 385 CA ILE A 25 18.587 31.834 3.427 1.00 0.00 C ATOM 386 C ILE A 25 20.005 31.316 3.180 1.00 0.00 C ATOM 387 O ILE A 25 20.230 30.112 3.252 1.00 0.00 O ATOM 388 CB ILE A 25 17.804 31.885 2.107 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.390 32.442 2.327 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.741 30.480 1.501 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.564 32.384 1.044 1.00 0.00 C ATOM 0 H ILE A 25 18.576 33.927 3.373 1.00 0.00 H new ATOM 0 HA ILE A 25 18.088 31.148 4.112 1.00 0.00 H new ATOM 0 HB ILE A 25 18.318 32.554 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.890 31.872 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.453 33.473 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.186 30.513 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.752 30.120 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.240 29.806 2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.569 32.786 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 25 16.052 32.976 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.481 31.349 0.711 1.00 0.00 H new ATOM 403 N LEU A 26 20.956 32.211 2.889 1.00 0.00 N ATOM 404 CA LEU A 26 22.307 31.829 2.474 1.00 0.00 C ATOM 405 C LEU A 26 23.408 32.407 3.367 1.00 0.00 C ATOM 406 O LEU A 26 24.550 31.961 3.292 1.00 0.00 O ATOM 407 CB LEU A 26 22.522 32.313 1.036 1.00 0.00 C ATOM 408 CG LEU A 26 21.416 31.876 0.070 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.719 32.473 -1.303 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.387 30.357 -0.045 1.00 0.00 C ATOM 0 H LEU A 26 20.809 33.219 2.935 1.00 0.00 H new ATOM 0 HA LEU A 26 22.379 30.744 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.586 33.401 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.479 31.937 0.674 1.00 0.00 H new ATOM 0 HG LEU A 26 20.450 32.220 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.944 32.175 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.744 33.560 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.686 32.111 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.597 30.059 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.347 30.002 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.196 29.921 0.936 1.00 0.00 H new ATOM 422 N GLY A 27 23.080 33.389 4.210 1.00 0.00 N ATOM 423 CA GLY A 27 24.060 34.099 5.026 1.00 0.00 C ATOM 424 C GLY A 27 24.484 33.320 6.272 1.00 0.00 C ATOM 425 O GLY A 27 25.123 33.881 7.160 1.00 0.00 O ATOM 0 H GLY A 27 22.122 33.713 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.941 34.312 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.643 35.059 5.330 1.00 0.00 H new ATOM 429 N ASN A 28 24.130 32.035 6.346 1.00 0.00 N ATOM 430 CA ASN A 28 24.403 31.184 7.495 1.00 0.00 C ATOM 431 C ASN A 28 24.833 29.790 7.043 1.00 0.00 C ATOM 432 O ASN A 28 24.356 28.789 7.574 1.00 0.00 O ATOM 433 CB ASN A 28 23.180 31.149 8.417 1.00 0.00 C ATOM 434 CG ASN A 28 21.888 30.848 7.666 1.00 0.00 C ATOM 435 OD1 ASN A 28 21.891 30.228 6.605 1.00 0.00 O ATOM 436 ND2 ASN A 28 20.762 31.289 8.220 1.00 0.00 N ATOM 0 H ASN A 28 23.638 31.553 5.594 1.00 0.00 H new ATOM 0 HA ASN A 28 25.234 31.598 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 28 23.332 30.394 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.085 32.109 8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.867 31.115 7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.794 31.801 9.102 1.00 0.00 H new ATOM 443 N ARG A 29 25.737 29.732 6.058 1.00 0.00 N ATOM 444 CA ARG A 29 26.144 28.484 5.418 1.00 0.00 C ATOM 445 C ARG A 29 24.930 27.751 4.850 1.00 0.00 C ATOM 446 O ARG A 29 24.916 26.524 4.744 1.00 0.00 O ATOM 447 CB ARG A 29 26.969 27.614 6.372 1.00 0.00 C ATOM 448 CG ARG A 29 28.195 28.379 6.887 1.00 0.00 C ATOM 449 CD ARG A 29 29.017 27.503 7.835 1.00 0.00 C ATOM 450 NE ARG A 29 29.571 26.334 7.139 1.00 0.00 N ATOM 451 CZ ARG A 29 29.321 25.060 7.457 1.00 0.00 C ATOM 452 NH1 ARG A 29 28.519 24.750 8.474 1.00 0.00 N ATOM 453 NH2 ARG A 29 29.883 24.080 6.755 1.00 0.00 N ATOM 0 H ARG A 29 26.207 30.556 5.683 1.00 0.00 H new ATOM 0 HA ARG A 29 26.797 28.720 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.350 27.302 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.290 26.708 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.813 28.694 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 29 27.875 29.284 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.828 28.091 8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 29 28.390 27.172 8.663 1.00 0.00 H new ATOM 0 HE ARG A 29 30.195 26.508 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 29 28.084 25.490 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 29 28.340 23.772 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 29 30.503 24.301 5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 29 29.694 23.107 6.996 1.00 0.00 H new ATOM 467 N ALA A 30 23.904 28.530 4.490 1.00 0.00 N ATOM 468 CA ALA A 30 22.635 28.047 3.972 1.00 0.00 C ATOM 469 C ALA A 30 21.932 27.078 4.924 1.00 0.00 C ATOM 470 O ALA A 30 21.154 26.237 4.479 1.00 0.00 O ATOM 471 CB ALA A 30 22.811 27.498 2.558 1.00 0.00 C ATOM 0 H ALA A 30 23.943 29.547 4.556 1.00 0.00 H new ATOM 0 HA ALA A 30 21.955 28.896 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.851 27.140 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.183 28.287 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.524 26.674 2.574 1.00 0.00 H new ATOM 477 N ALA A 31 22.195 27.183 6.231 1.00 0.00 N ATOM 478 CA ALA A 31 21.605 26.300 7.222 1.00 0.00 C ATOM 479 C ALA A 31 20.077 26.399 7.232 1.00 0.00 C ATOM 480 O ALA A 31 19.399 25.441 7.600 1.00 0.00 O ATOM 481 CB ALA A 31 22.166 26.677 8.593 1.00 0.00 C ATOM 0 H ALA A 31 22.823 27.884 6.623 1.00 0.00 H new ATOM 0 HA ALA A 31 21.857 25.269 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 31 21.736 26.026 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.250 26.561 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 31 21.913 27.713 8.817 1.00 0.00 H new ATOM 487 N VAL A 32 19.525 27.550 6.829 1.00 0.00 N ATOM 488 CA VAL A 32 18.081 27.754 6.785 1.00 0.00 C ATOM 489 C VAL A 32 17.538 26.982 5.584 1.00 0.00 C ATOM 490 O VAL A 32 16.461 26.394 5.681 1.00 0.00 O ATOM 491 CB VAL A 32 17.816 29.255 6.629 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.495 29.548 5.917 1.00 0.00 C ATOM 493 CG2 VAL A 32 17.774 29.880 8.024 1.00 0.00 C ATOM 0 H VAL A 32 20.068 28.359 6.527 1.00 0.00 H new ATOM 0 HA VAL A 32 17.593 27.400 7.693 1.00 0.00 H new ATOM 0 HB VAL A 32 18.615 29.677 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.358 30.626 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.513 29.106 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.671 29.121 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 32 17.586 30.950 7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.977 29.418 8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 32 18.729 29.718 8.524 1.00 0.00 H new ATOM 503 N LYS A 33 18.259 26.972 4.457 1.00 0.00 N ATOM 504 CA LYS A 33 17.793 26.270 3.264 1.00 0.00 C ATOM 505 C LYS A 33 17.920 24.764 3.467 1.00 0.00 C ATOM 506 O LYS A 33 17.036 24.010 3.077 1.00 0.00 O ATOM 507 CB LYS A 33 18.608 26.730 2.054 1.00 0.00 C ATOM 508 CG LYS A 33 17.946 26.256 0.759 1.00 0.00 C ATOM 509 CD LYS A 33 18.737 26.742 -0.459 1.00 0.00 C ATOM 510 CE LYS A 33 20.057 25.982 -0.617 1.00 0.00 C ATOM 511 NZ LYS A 33 19.824 24.574 -0.992 1.00 0.00 N ATOM 0 H LYS A 33 19.159 27.439 4.350 1.00 0.00 H new ATOM 0 HA LYS A 33 16.743 26.502 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.689 27.817 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.622 26.335 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.888 25.168 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.924 26.630 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.134 26.616 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.941 27.808 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.669 26.467 -1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.617 26.024 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.736 24.103 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.319 24.089 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.252 24.536 -1.860 1.00 0.00 H new ATOM 525 N LYS A 34 19.023 24.339 4.086 1.00 0.00 N ATOM 526 CA LYS A 34 19.302 22.931 4.330 1.00 0.00 C ATOM 527 C LYS A 34 18.356 22.321 5.360 1.00 0.00 C ATOM 528 O LYS A 34 18.108 21.117 5.328 1.00 0.00 O ATOM 529 CB LYS A 34 20.756 22.788 4.788 1.00 0.00 C ATOM 530 CG LYS A 34 21.718 23.154 3.655 1.00 0.00 C ATOM 531 CD LYS A 34 23.139 23.287 4.195 1.00 0.00 C ATOM 532 CE LYS A 34 24.093 23.635 3.053 1.00 0.00 C ATOM 533 NZ LYS A 34 25.449 23.916 3.564 1.00 0.00 N ATOM 0 H LYS A 34 19.748 24.968 4.432 1.00 0.00 H new ATOM 0 HA LYS A 34 19.143 22.385 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.937 23.433 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.941 21.764 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.686 22.389 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.407 24.091 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.176 24.061 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.447 22.355 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.132 22.809 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.717 24.503 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 26.125 23.915 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.459 24.847 4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.720 23.184 4.251 1.00 0.00 H new ATOM 547 N HIS A 35 17.818 23.130 6.278 1.00 0.00 N ATOM 548 CA HIS A 35 16.879 22.626 7.276 1.00 0.00 C ATOM 549 C HIS A 35 15.523 22.327 6.643 1.00 0.00 C ATOM 550 O HIS A 35 14.914 21.303 6.943 1.00 0.00 O ATOM 551 CB HIS A 35 16.697 23.660 8.383 1.00 0.00 C ATOM 552 CG HIS A 35 15.604 23.265 9.342 1.00 0.00 C ATOM 553 ND1 HIS A 35 14.351 23.812 9.401 1.00 0.00 N flip ATOM 554 CD2 HIS A 35 15.687 22.293 10.325 1.00 0.00 C flip ATOM 555 CE1 HIS A 35 13.673 23.163 10.415 1.00 0.00 C flip ATOM 556 NE2 HIS A 35 14.500 22.249 10.964 1.00 0.00 N flip ATOM 0 H HIS A 35 18.017 24.128 6.348 1.00 0.00 H new ATOM 0 HA HIS A 35 17.286 21.704 7.692 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.634 23.778 8.928 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.461 24.628 7.941 1.00 0.00 H new ATOM 0 HD2 HIS A 35 16.549 21.679 10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.654 23.355 10.717 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.266 21.626 11.737 1.00 0.00 H new ATOM 565 N ILE A 36 15.047 23.216 5.767 1.00 0.00 N ATOM 566 CA ILE A 36 13.738 23.067 5.151 1.00 0.00 C ATOM 567 C ILE A 36 13.736 21.893 4.173 1.00 0.00 C ATOM 568 O ILE A 36 12.701 21.266 3.952 1.00 0.00 O ATOM 569 CB ILE A 36 13.341 24.395 4.493 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.091 25.426 5.602 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.087 24.232 3.628 1.00 0.00 C ATOM 572 CD1 ILE A 36 12.825 26.825 5.049 1.00 0.00 C ATOM 0 H ILE A 36 15.556 24.049 5.471 1.00 0.00 H new ATOM 0 HA ILE A 36 12.988 22.833 5.907 1.00 0.00 H new ATOM 0 HB ILE A 36 14.146 24.729 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.240 25.109 6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.956 25.459 6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.830 25.190 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.279 23.499 2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.259 23.891 4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.654 27.516 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.687 27.157 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.944 26.801 4.408 1.00 0.00 H new ATOM 584 N GLU A 37 14.892 21.580 3.581 1.00 0.00 N ATOM 585 CA GLU A 37 15.018 20.434 2.690 1.00 0.00 C ATOM 586 C GLU A 37 14.877 19.119 3.456 1.00 0.00 C ATOM 587 O GLU A 37 14.430 18.124 2.890 1.00 0.00 O ATOM 588 CB GLU A 37 16.365 20.489 1.974 1.00 0.00 C ATOM 589 CG GLU A 37 16.369 21.644 0.971 1.00 0.00 C ATOM 590 CD GLU A 37 17.741 21.854 0.338 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.703 21.177 0.761 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.821 22.702 -0.578 1.00 0.00 O ATOM 0 H GLU A 37 15.755 22.110 3.706 1.00 0.00 H new ATOM 0 HA GLU A 37 14.214 20.477 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.168 20.622 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.553 19.547 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.636 21.446 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.059 22.560 1.473 1.00 0.00 H new ATOM 599 N ARG A 38 15.251 19.106 4.742 1.00 0.00 N ATOM 600 CA ARG A 38 15.108 17.922 5.586 1.00 0.00 C ATOM 601 C ARG A 38 13.739 17.893 6.267 1.00 0.00 C ATOM 602 O ARG A 38 13.303 16.850 6.739 1.00 0.00 O ATOM 603 CB ARG A 38 16.225 17.907 6.634 1.00 0.00 C ATOM 604 CG ARG A 38 17.595 17.806 5.953 1.00 0.00 C ATOM 605 CD ARG A 38 18.712 17.843 6.996 1.00 0.00 C ATOM 606 NE ARG A 38 18.630 16.697 7.911 1.00 0.00 N ATOM 607 CZ ARG A 38 19.205 15.512 7.691 1.00 0.00 C ATOM 608 NH1 ARG A 38 19.910 15.288 6.586 1.00 0.00 N ATOM 609 NH2 ARG A 38 19.078 14.538 8.586 1.00 0.00 N ATOM 0 H ARG A 38 15.657 19.911 5.219 1.00 0.00 H new ATOM 0 HA ARG A 38 15.185 17.034 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.178 18.813 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.086 17.065 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.656 16.882 5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.719 18.628 5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.680 17.842 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.649 18.770 7.566 1.00 0.00 H new ATOM 0 HE ARG A 38 18.098 16.814 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.018 16.027 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.343 14.377 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.542 14.696 9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.516 13.632 8.420 1.00 0.00 H new ATOM 623 N GLN A 39 13.063 19.043 6.316 1.00 0.00 N ATOM 624 CA GLN A 39 11.750 19.176 6.929 1.00 0.00 C ATOM 625 C GLN A 39 10.649 18.653 6.007 1.00 0.00 C ATOM 626 O GLN A 39 9.600 18.215 6.479 1.00 0.00 O ATOM 627 CB GLN A 39 11.533 20.656 7.252 1.00 0.00 C ATOM 628 CG GLN A 39 10.143 20.938 7.826 1.00 0.00 C ATOM 629 CD GLN A 39 9.997 22.387 8.269 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.967 23.032 8.651 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.777 22.911 8.224 1.00 0.00 N ATOM 0 H GLN A 39 13.420 19.915 5.925 1.00 0.00 H new ATOM 0 HA GLN A 39 11.705 18.579 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.289 20.982 7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.674 21.246 6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.387 20.710 7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.959 20.278 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.991 22.347 7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.626 23.878 8.513 1.00 0.00 H new ATOM 640 N PHE A 40 10.887 18.701 4.691 1.00 0.00 N ATOM 641 CA PHE A 40 9.914 18.283 3.693 1.00 0.00 C ATOM 642 C PHE A 40 10.444 17.307 2.644 1.00 0.00 C ATOM 643 O PHE A 40 9.745 16.983 1.686 1.00 0.00 O ATOM 644 CB PHE A 40 9.232 19.503 3.070 1.00 0.00 C ATOM 645 CG PHE A 40 8.334 20.261 4.018 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.611 21.606 4.308 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.233 19.628 4.609 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.783 22.321 5.185 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.415 20.340 5.500 1.00 0.00 C ATOM 650 CZ PHE A 40 6.687 21.685 5.786 1.00 0.00 C ATOM 0 H PHE A 40 11.766 19.033 4.294 1.00 0.00 H new ATOM 0 HA PHE A 40 9.166 17.698 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.998 20.181 2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.644 19.178 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.463 22.091 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.014 18.596 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.989 23.360 5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.573 19.850 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.053 22.231 6.469 1.00 0.00 H new ATOM 660 N ASN A 41 11.687 16.847 2.830 1.00 0.00 N ATOM 661 CA ASN A 41 12.388 15.976 1.894 1.00 0.00 C ATOM 662 C ASN A 41 12.474 16.606 0.498 1.00 0.00 C ATOM 663 O ASN A 41 12.725 15.913 -0.488 1.00 0.00 O ATOM 664 CB ASN A 41 11.734 14.591 1.892 1.00 0.00 C ATOM 665 CG ASN A 41 12.599 13.545 1.201 1.00 0.00 C ATOM 666 OD1 ASN A 41 13.823 13.599 1.262 1.00 0.00 O ATOM 667 ND2 ASN A 41 11.966 12.582 0.541 1.00 0.00 N ATOM 0 H ASN A 41 12.241 17.078 3.655 1.00 0.00 H new ATOM 0 HA ASN A 41 13.420 15.850 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.543 14.280 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.768 14.649 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.499 11.855 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.947 12.569 0.512 1.00 0.00 H new ATOM 674 N CYS A 42 12.265 17.924 0.409 1.00 0.00 N ATOM 675 CA CYS A 42 12.321 18.672 -0.836 1.00 0.00 C ATOM 676 C CYS A 42 13.743 19.168 -1.105 1.00 0.00 C ATOM 677 O CYS A 42 14.665 18.889 -0.341 1.00 0.00 O ATOM 678 CB CYS A 42 11.346 19.846 -0.732 1.00 0.00 C ATOM 679 SG CYS A 42 11.900 20.971 0.580 1.00 0.00 S ATOM 0 H CYS A 42 12.049 18.505 1.219 1.00 0.00 H new ATOM 0 HA CYS A 42 12.039 18.029 -1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.294 20.376 -1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.342 19.482 -0.515 1.00 0.00 H new ATOM 0 HG CYS A 42 12.132 22.146 0.075 1.00 0.00 H new ATOM 685 N VAL A 43 13.914 19.912 -2.198 1.00 0.00 N ATOM 686 CA VAL A 43 15.169 20.560 -2.553 1.00 0.00 C ATOM 687 C VAL A 43 14.858 22.005 -2.924 1.00 0.00 C ATOM 688 O VAL A 43 13.806 22.273 -3.503 1.00 0.00 O ATOM 689 CB VAL A 43 15.847 19.808 -3.707 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.117 20.530 -4.161 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.199 18.383 -3.280 1.00 0.00 C ATOM 0 H VAL A 43 13.167 20.082 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 43 15.865 20.545 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 43 15.145 19.774 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.578 19.976 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.863 21.534 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.817 20.595 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.679 17.863 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.880 18.416 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.290 17.853 -2.997 1.00 0.00 H new ATOM 701 N ILE A 44 15.760 22.935 -2.598 1.00 0.00 N ATOM 702 CA ILE A 44 15.559 24.350 -2.870 1.00 0.00 C ATOM 703 C ILE A 44 16.814 24.943 -3.502 1.00 0.00 C ATOM 704 O ILE A 44 17.931 24.585 -3.130 1.00 0.00 O ATOM 705 CB ILE A 44 15.171 25.089 -1.577 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.871 24.505 -1.010 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.018 26.595 -1.835 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.475 25.165 0.310 1.00 0.00 C ATOM 0 H ILE A 44 16.646 22.723 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 44 14.739 24.470 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 44 15.967 24.952 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.068 24.635 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.992 23.433 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.744 27.097 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.962 26.999 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.240 26.759 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.549 24.721 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.265 25.012 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.328 26.233 0.153 1.00 0.00 H new ATOM 720 N THR A 45 16.625 25.855 -4.462 1.00 0.00 N ATOM 721 CA THR A 45 17.721 26.522 -5.154 1.00 0.00 C ATOM 722 C THR A 45 17.535 28.019 -5.349 1.00 0.00 C ATOM 723 O THR A 45 16.625 28.451 -6.055 1.00 0.00 O ATOM 724 CB THR A 45 18.093 25.816 -6.460 1.00 0.00 C ATOM 725 OG1 THR A 45 17.896 24.422 -6.362 1.00 0.00 O ATOM 726 CG2 THR A 45 19.542 26.109 -6.831 1.00 0.00 C ATOM 0 H THR A 45 15.701 26.149 -4.779 1.00 0.00 H new ATOM 0 HA THR A 45 18.568 26.434 -4.474 1.00 0.00 H new ATOM 0 HB THR A 45 17.439 26.201 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.140 23.997 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.789 25.599 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.675 27.183 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.200 25.754 -6.037 1.00 0.00 H new ATOM 734 N VAL A 46 18.406 28.816 -4.721 1.00 0.00 N ATOM 735 CA VAL A 46 18.403 30.265 -4.894 1.00 0.00 C ATOM 736 C VAL A 46 19.183 30.641 -6.152 1.00 0.00 C ATOM 737 O VAL A 46 20.135 29.953 -6.519 1.00 0.00 O ATOM 738 CB VAL A 46 18.933 30.971 -3.639 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.769 32.486 -3.764 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.182 30.499 -2.395 1.00 0.00 C ATOM 0 H VAL A 46 19.126 28.474 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 46 17.377 30.608 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 46 19.990 30.723 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.151 32.969 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.326 32.842 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.713 32.729 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.574 31.012 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.121 30.724 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.315 29.424 -2.276 1.00 0.00 H new ATOM 750 N HIS A 47 18.785 31.731 -6.810 1.00 0.00 N ATOM 751 CA HIS A 47 19.389 32.168 -8.061 1.00 0.00 C ATOM 752 C HIS A 47 19.736 33.655 -8.030 1.00 0.00 C ATOM 753 O HIS A 47 19.221 34.440 -8.819 1.00 0.00 O ATOM 754 CB HIS A 47 18.461 31.799 -9.218 1.00 0.00 C ATOM 755 CG HIS A 47 18.460 30.327 -9.532 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.464 29.630 -10.184 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.454 29.442 -9.248 1.00 0.00 C ATOM 758 CE1 HIS A 47 19.076 28.345 -10.289 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.851 28.215 -9.740 1.00 0.00 N ATOM 0 H HIS A 47 18.031 32.336 -6.485 1.00 0.00 H new ATOM 0 HA HIS A 47 20.338 31.652 -8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.446 32.113 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.762 32.353 -10.107 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.342 30.021 -10.524 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.528 29.662 -8.737 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.651 27.549 -10.739 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.308 27.353 -9.696 1.00 0.00 H new ATOM 768 N THR A 48 20.624 34.042 -7.108 1.00 0.00 N ATOM 769 CA THR A 48 21.114 35.415 -7.015 1.00 0.00 C ATOM 770 C THR A 48 21.818 35.921 -8.274 1.00 0.00 C ATOM 771 O THR A 48 22.073 37.118 -8.411 1.00 0.00 O ATOM 772 CB THR A 48 21.955 35.654 -5.753 1.00 0.00 C ATOM 773 OG1 THR A 48 23.312 35.400 -6.043 1.00 0.00 O ATOM 774 CG2 THR A 48 21.543 34.758 -4.581 1.00 0.00 C ATOM 0 H THR A 48 21.020 33.413 -6.410 1.00 0.00 H new ATOM 0 HA THR A 48 20.213 36.022 -6.928 1.00 0.00 H new ATOM 0 HB THR A 48 21.792 36.690 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.852 35.553 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.174 34.974 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.501 34.950 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.661 33.712 -4.864 1.00 0.00 H new ATOM 782 N GLU A 49 22.134 35.002 -9.192 1.00 0.00 N ATOM 783 CA GLU A 49 22.753 35.312 -10.473 1.00 0.00 C ATOM 784 C GLU A 49 21.767 36.026 -11.401 1.00 0.00 C ATOM 785 O GLU A 49 22.178 36.625 -12.395 1.00 0.00 O ATOM 786 CB GLU A 49 23.227 33.998 -11.106 1.00 0.00 C ATOM 787 CG GLU A 49 22.051 33.032 -11.315 1.00 0.00 C ATOM 788 CD GLU A 49 22.515 31.616 -11.655 1.00 0.00 C ATOM 789 OE1 GLU A 49 23.711 31.448 -11.990 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.662 30.706 -11.572 1.00 0.00 O ATOM 0 H GLU A 49 21.961 34.006 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 49 23.598 35.983 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.708 34.204 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.976 33.532 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.441 33.005 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.415 33.406 -12.118 1.00 0.00 H new ATOM 797 N VAL A 50 20.470 35.969 -11.086 1.00 0.00 N ATOM 798 CA VAL A 50 19.434 36.639 -11.862 1.00 0.00 C ATOM 799 C VAL A 50 19.210 38.057 -11.362 1.00 0.00 C ATOM 800 O VAL A 50 19.399 38.351 -10.181 1.00 0.00 O ATOM 801 CB VAL A 50 18.129 35.839 -11.823 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.070 36.454 -12.741 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.365 34.391 -12.251 1.00 0.00 C ATOM 0 H VAL A 50 20.112 35.454 -10.282 1.00 0.00 H new ATOM 0 HA VAL A 50 19.771 36.697 -12.897 1.00 0.00 H new ATOM 0 HB VAL A 50 17.771 35.865 -10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.156 35.862 -12.690 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.860 37.475 -12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.439 36.464 -13.767 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.423 33.843 -12.215 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.758 34.371 -13.268 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.082 33.924 -11.576 1.00 0.00 H new ATOM 813 N GLN A 51 18.794 38.937 -12.274 1.00 0.00 N ATOM 814 CA GLN A 51 18.422 40.305 -11.955 1.00 0.00 C ATOM 815 C GLN A 51 17.239 40.715 -12.823 1.00 0.00 C ATOM 816 O GLN A 51 17.266 40.543 -14.042 1.00 0.00 O ATOM 817 CB GLN A 51 19.604 41.256 -12.174 1.00 0.00 C ATOM 818 CG GLN A 51 20.794 40.893 -11.284 1.00 0.00 C ATOM 819 CD GLN A 51 21.937 41.893 -11.412 1.00 0.00 C ATOM 820 OE1 GLN A 51 21.857 42.858 -12.166 1.00 0.00 O ATOM 821 NE2 GLN A 51 23.017 41.670 -10.668 1.00 0.00 N ATOM 0 H GLN A 51 18.707 38.711 -13.265 1.00 0.00 H new ATOM 0 HA GLN A 51 18.139 40.363 -10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.909 41.223 -13.220 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.292 42.279 -11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.468 40.848 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 51 21.153 39.898 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.053 40.859 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.809 42.310 -10.715 1.00 0.00 H new ATOM 830 N SER A 52 16.200 41.257 -12.188 1.00 0.00 N ATOM 831 CA SER A 52 15.010 41.731 -12.882 1.00 0.00 C ATOM 832 C SER A 52 14.487 43.009 -12.238 1.00 0.00 C ATOM 833 O SER A 52 14.906 43.371 -11.136 1.00 0.00 O ATOM 834 CB SER A 52 13.946 40.632 -12.869 1.00 0.00 C ATOM 835 OG SER A 52 12.819 41.045 -13.614 1.00 0.00 O ATOM 0 H SER A 52 16.163 41.379 -11.176 1.00 0.00 H new ATOM 0 HA SER A 52 15.263 41.965 -13.916 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.354 39.713 -13.290 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.653 40.410 -11.843 1.00 0.00 H new ATOM 0 HG SER A 52 12.002 40.833 -13.116 1.00 0.00 H new ATOM 841 N SER A 53 13.568 43.696 -12.923 1.00 0.00 N ATOM 842 CA SER A 53 12.986 44.942 -12.443 1.00 0.00 C ATOM 843 C SER A 53 12.160 44.723 -11.176 1.00 0.00 C ATOM 844 O SER A 53 11.689 45.689 -10.578 1.00 0.00 O ATOM 845 CB SER A 53 12.124 45.549 -13.550 1.00 0.00 C ATOM 846 OG SER A 53 11.041 44.690 -13.855 1.00 0.00 O ATOM 0 H SER A 53 13.209 43.398 -13.830 1.00 0.00 H new ATOM 0 HA SER A 53 13.792 45.630 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.748 46.522 -13.235 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.728 45.714 -14.442 1.00 0.00 H new ATOM 0 HG SER A 53 10.495 45.090 -14.564 1.00 0.00 H new ATOM 852 N PHE A 54 11.986 43.461 -10.760 1.00 0.00 N ATOM 853 CA PHE A 54 11.295 43.137 -9.522 1.00 0.00 C ATOM 854 C PHE A 54 12.074 43.580 -8.286 1.00 0.00 C ATOM 855 O PHE A 54 11.500 43.682 -7.202 1.00 0.00 O ATOM 856 CB PHE A 54 11.032 41.634 -9.445 1.00 0.00 C ATOM 857 CG PHE A 54 10.132 41.100 -10.536 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.609 40.115 -11.406 1.00 0.00 C ATOM 859 CD2 PHE A 54 8.826 41.589 -10.678 1.00 0.00 C ATOM 860 CE1 PHE A 54 9.783 39.614 -12.420 1.00 0.00 C ATOM 861 CE2 PHE A 54 7.999 41.088 -11.693 1.00 0.00 C ATOM 862 CZ PHE A 54 8.478 40.102 -12.564 1.00 0.00 C ATOM 0 H PHE A 54 12.321 42.646 -11.274 1.00 0.00 H new ATOM 0 HA PHE A 54 10.352 43.683 -9.532 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.986 41.108 -9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.585 41.405 -8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.616 39.740 -11.296 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.458 42.350 -10.007 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.152 38.852 -13.090 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.992 41.463 -11.803 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.841 39.718 -13.347 1.00 0.00 H new ATOM 872 N GLY A 55 13.376 43.842 -8.443 1.00 0.00 N ATOM 873 CA GLY A 55 14.225 44.218 -7.321 1.00 0.00 C ATOM 874 C GLY A 55 14.374 43.046 -6.354 1.00 0.00 C ATOM 875 O GLY A 55 14.543 43.242 -5.152 1.00 0.00 O ATOM 0 H GLY A 55 13.860 43.799 -9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.205 44.525 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.795 45.075 -6.802 1.00 0.00 H new ATOM 879 N ALA A 56 14.305 41.821 -6.888 1.00 0.00 N ATOM 880 CA ALA A 56 14.255 40.607 -6.092 1.00 0.00 C ATOM 881 C ALA A 56 15.056 39.478 -6.744 1.00 0.00 C ATOM 882 O ALA A 56 15.429 39.561 -7.913 1.00 0.00 O ATOM 883 CB ALA A 56 12.786 40.212 -5.934 1.00 0.00 C ATOM 0 H ALA A 56 14.283 41.652 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 56 14.706 40.787 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.716 39.301 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.245 41.015 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.348 40.038 -6.917 1.00 0.00 H new ATOM 889 N THR A 57 15.313 38.418 -5.969 1.00 0.00 N ATOM 890 CA THR A 57 16.057 37.253 -6.420 1.00 0.00 C ATOM 891 C THR A 57 15.044 36.111 -6.484 1.00 0.00 C ATOM 892 O THR A 57 14.292 35.906 -5.531 1.00 0.00 O ATOM 893 CB THR A 57 17.132 36.941 -5.376 1.00 0.00 C ATOM 894 OG1 THR A 57 18.248 37.776 -5.585 1.00 0.00 O ATOM 895 CG2 THR A 57 17.597 35.488 -5.465 1.00 0.00 C ATOM 0 H THR A 57 15.003 38.352 -5.000 1.00 0.00 H new ATOM 0 HA THR A 57 16.537 37.406 -7.386 1.00 0.00 H new ATOM 0 HB THR A 57 16.696 37.112 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.935 37.577 -4.915 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.360 35.303 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.750 34.824 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.013 35.299 -6.454 1.00 0.00 H new ATOM 903 N PRO A 58 15.008 35.362 -7.592 1.00 0.00 N ATOM 904 CA PRO A 58 14.127 34.224 -7.760 1.00 0.00 C ATOM 905 C PRO A 58 14.663 32.994 -7.029 1.00 0.00 C ATOM 906 O PRO A 58 15.865 32.870 -6.791 1.00 0.00 O ATOM 907 CB PRO A 58 14.063 33.994 -9.267 1.00 0.00 C ATOM 908 CG PRO A 58 15.449 34.427 -9.732 1.00 0.00 C ATOM 909 CD PRO A 58 15.813 35.567 -8.782 1.00 0.00 C ATOM 0 HA PRO A 58 13.140 34.407 -7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.863 32.950 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.276 34.586 -9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.166 33.609 -9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.437 34.760 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.876 35.552 -8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.602 36.536 -9.235 1.00 0.00 H new ATOM 917 N VAL A 59 13.754 32.078 -6.676 1.00 0.00 N ATOM 918 CA VAL A 59 14.066 30.824 -6.002 1.00 0.00 C ATOM 919 C VAL A 59 13.256 29.677 -6.592 1.00 0.00 C ATOM 920 O VAL A 59 12.129 29.891 -7.038 1.00 0.00 O ATOM 921 CB VAL A 59 13.860 30.943 -4.485 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.455 29.737 -3.763 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.496 32.214 -3.921 1.00 0.00 C ATOM 0 H VAL A 59 12.757 32.197 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 59 15.120 30.603 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 59 12.784 30.985 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.298 29.842 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.969 28.827 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.524 29.680 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.327 32.259 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.568 32.204 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.047 33.087 -4.395 1.00 0.00 H new ATOM 933 N GLU A 60 13.821 28.468 -6.598 1.00 0.00 N ATOM 934 CA GLU A 60 13.175 27.283 -7.146 1.00 0.00 C ATOM 935 C GLU A 60 13.047 26.199 -6.081 1.00 0.00 C ATOM 936 O GLU A 60 13.831 26.159 -5.132 1.00 0.00 O ATOM 937 CB GLU A 60 13.973 26.765 -8.342 1.00 0.00 C ATOM 938 CG GLU A 60 13.886 27.734 -9.522 1.00 0.00 C ATOM 939 CD GLU A 60 14.841 27.348 -10.651 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.692 27.933 -11.748 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.710 26.479 -10.421 1.00 0.00 O ATOM 0 H GLU A 60 14.750 28.287 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 60 12.172 27.552 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.016 26.628 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.594 25.788 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.864 27.752 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.117 28.743 -9.180 1.00 0.00 H new ATOM 948 N ILE A 61 12.056 25.319 -6.242 1.00 0.00 N ATOM 949 CA ILE A 61 11.795 24.234 -5.307 1.00 0.00 C ATOM 950 C ILE A 61 11.464 22.958 -6.080 1.00 0.00 C ATOM 951 O ILE A 61 10.878 23.025 -7.158 1.00 0.00 O ATOM 952 CB ILE A 61 10.642 24.611 -4.363 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.861 26.003 -3.754 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.467 23.544 -3.274 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.713 26.415 -2.836 1.00 0.00 C ATOM 0 H ILE A 61 11.411 25.344 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 61 12.685 24.058 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 61 9.721 24.651 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.795 26.009 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.966 26.736 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.646 23.828 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.244 22.583 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.386 23.462 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.911 27.406 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.783 26.436 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.624 25.698 -2.020 1.00 0.00 H new ATOM 967 N VAL A 62 11.844 21.801 -5.526 1.00 0.00 N ATOM 968 CA VAL A 62 11.556 20.493 -6.104 1.00 0.00 C ATOM 969 C VAL A 62 11.140 19.507 -5.020 1.00 0.00 C ATOM 970 O VAL A 62 11.703 19.512 -3.924 1.00 0.00 O ATOM 971 CB VAL A 62 12.771 19.973 -6.883 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.441 18.666 -7.602 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.255 20.990 -7.921 1.00 0.00 C ATOM 0 H VAL A 62 12.367 21.751 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 62 10.724 20.597 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 62 13.561 19.805 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.319 18.319 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.146 17.913 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.622 18.832 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.117 20.586 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.454 21.194 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.539 21.915 -7.419 1.00 0.00 H new ATOM 983 N ALA A 63 10.152 18.657 -5.316 1.00 0.00 N ATOM 984 CA ALA A 63 9.665 17.656 -4.375 1.00 0.00 C ATOM 985 C ALA A 63 8.961 16.525 -5.124 1.00 0.00 C ATOM 986 O ALA A 63 8.657 16.652 -6.309 1.00 0.00 O ATOM 987 CB ALA A 63 8.711 18.308 -3.378 1.00 0.00 C ATOM 0 H ALA A 63 9.671 18.647 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 63 10.511 17.235 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.349 17.557 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.236 19.092 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.866 18.742 -3.913 1.00 0.00 H new ATOM 993 N GLN A 64 8.699 15.414 -4.434 1.00 0.00 N ATOM 994 CA GLN A 64 8.041 14.262 -5.038 1.00 0.00 C ATOM 995 C GLN A 64 6.561 14.553 -5.333 1.00 0.00 C ATOM 996 O GLN A 64 5.960 13.903 -6.185 1.00 0.00 O ATOM 997 CB GLN A 64 8.204 13.063 -4.095 1.00 0.00 C ATOM 998 CG GLN A 64 7.550 11.784 -4.627 1.00 0.00 C ATOM 999 CD GLN A 64 8.192 11.288 -5.919 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.291 11.698 -6.286 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.509 10.392 -6.626 1.00 0.00 N ATOM 0 H GLN A 64 8.936 15.291 -3.450 1.00 0.00 H new ATOM 0 HA GLN A 64 8.506 14.035 -5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.266 12.879 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.770 13.309 -3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.618 11.004 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.490 11.968 -4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.599 10.069 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.895 10.027 -7.497 1.00 0.00 H new ATOM 1010 N ASN A 65 5.973 15.528 -4.633 1.00 0.00 N ATOM 1011 CA ASN A 65 4.580 15.906 -4.811 1.00 0.00 C ATOM 1012 C ASN A 65 4.340 17.350 -4.368 1.00 0.00 C ATOM 1013 O ASN A 65 5.182 17.958 -3.707 1.00 0.00 O ATOM 1014 CB ASN A 65 3.676 14.930 -4.048 1.00 0.00 C ATOM 1015 CG ASN A 65 4.088 14.755 -2.591 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.574 15.682 -1.951 1.00 0.00 O ATOM 1017 ND2 ASN A 65 3.894 13.556 -2.053 1.00 0.00 N ATOM 0 H ASN A 65 6.459 16.077 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 65 4.334 15.850 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.647 15.288 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.696 13.960 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.151 13.386 -1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.488 12.806 -2.612 1.00 0.00 H new ATOM 1024 N LYS A 66 3.183 17.911 -4.737 1.00 0.00 N ATOM 1025 CA LYS A 66 2.829 19.283 -4.384 1.00 0.00 C ATOM 1026 C LYS A 66 2.566 19.405 -2.884 1.00 0.00 C ATOM 1027 O LYS A 66 2.585 20.509 -2.345 1.00 0.00 O ATOM 1028 CB LYS A 66 1.586 19.714 -5.166 1.00 0.00 C ATOM 1029 CG LYS A 66 1.799 19.635 -6.678 1.00 0.00 C ATOM 1030 CD LYS A 66 0.538 20.132 -7.391 1.00 0.00 C ATOM 1031 CE LYS A 66 0.647 19.973 -8.912 1.00 0.00 C ATOM 1032 NZ LYS A 66 1.758 20.757 -9.473 1.00 0.00 N ATOM 0 H LYS A 66 2.472 17.427 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 66 3.664 19.934 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.745 19.080 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.322 20.735 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.658 20.240 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.018 18.609 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.328 19.578 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.371 21.181 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.787 18.920 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.288 20.286 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.455 21.200 -10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.038 21.496 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.567 20.130 -9.656 1.00 0.00 H new ATOM 1046 N GLU A 67 2.324 18.278 -2.212 1.00 0.00 N ATOM 1047 CA GLU A 67 2.059 18.243 -0.779 1.00 0.00 C ATOM 1048 C GLU A 67 3.332 18.508 0.030 1.00 0.00 C ATOM 1049 O GLU A 67 3.277 18.596 1.255 1.00 0.00 O ATOM 1050 CB GLU A 67 1.470 16.881 -0.401 1.00 0.00 C ATOM 1051 CG GLU A 67 0.188 16.558 -1.184 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.963 17.521 -0.882 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -0.852 18.304 0.087 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.963 17.463 -1.633 1.00 0.00 O ATOM 0 H GLU A 67 2.307 17.359 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 67 1.344 19.031 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.211 16.104 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.253 16.866 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.406 16.586 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.127 15.541 -0.949 1.00 0.00 H new ATOM 1061 N GLN A 68 4.477 18.635 -0.647 1.00 0.00 N ATOM 1062 CA GLN A 68 5.745 18.958 -0.011 1.00 0.00 C ATOM 1063 C GLN A 68 6.405 20.163 -0.671 1.00 0.00 C ATOM 1064 O GLN A 68 7.207 20.847 -0.040 1.00 0.00 O ATOM 1065 CB GLN A 68 6.675 17.746 -0.101 1.00 0.00 C ATOM 1066 CG GLN A 68 6.182 16.587 0.766 1.00 0.00 C ATOM 1067 CD GLN A 68 7.003 15.319 0.533 1.00 0.00 C ATOM 1068 OE1 GLN A 68 7.761 15.213 -0.430 1.00 0.00 O ATOM 1069 NE2 GLN A 68 6.859 14.340 1.420 1.00 0.00 N ATOM 0 H GLN A 68 4.544 18.515 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 68 5.555 19.209 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.747 17.419 -1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.678 18.034 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.238 16.869 1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.133 16.388 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.223 14.456 2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.385 13.473 1.312 1.00 0.00 H new ATOM 1078 N CYS A 69 6.076 20.433 -1.938 1.00 0.00 N ATOM 1079 CA CYS A 69 6.673 21.547 -2.656 1.00 0.00 C ATOM 1080 C CYS A 69 6.047 22.856 -2.170 1.00 0.00 C ATOM 1081 O CYS A 69 6.747 23.855 -2.019 1.00 0.00 O ATOM 1082 CB CYS A 69 6.417 21.342 -4.148 1.00 0.00 C ATOM 1083 SG CYS A 69 7.522 22.417 -5.097 1.00 0.00 S ATOM 0 H CYS A 69 5.401 19.893 -2.480 1.00 0.00 H new ATOM 0 HA CYS A 69 7.747 21.596 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.585 20.299 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.378 21.569 -4.385 1.00 0.00 H new ATOM 0 HG CYS A 69 7.309 22.245 -6.368 1.00 0.00 H new ATOM 1089 N GLN A 70 4.734 22.859 -1.924 1.00 0.00 N ATOM 1090 CA GLN A 70 4.040 24.047 -1.447 1.00 0.00 C ATOM 1091 C GLN A 70 4.340 24.315 0.024 1.00 0.00 C ATOM 1092 O GLN A 70 4.354 25.466 0.452 1.00 0.00 O ATOM 1093 CB GLN A 70 2.533 23.878 -1.624 1.00 0.00 C ATOM 1094 CG GLN A 70 2.165 23.784 -3.105 1.00 0.00 C ATOM 1095 CD GLN A 70 0.666 23.594 -3.309 1.00 0.00 C ATOM 1096 OE1 GLN A 70 -0.108 23.556 -2.355 1.00 0.00 O ATOM 1097 NE2 GLN A 70 0.240 23.470 -4.564 1.00 0.00 N ATOM 0 H GLN A 70 4.132 22.045 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 70 4.394 24.894 -2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.200 22.979 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.013 24.720 -1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.489 24.690 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.701 22.951 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.907 23.506 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.753 23.339 -4.755 1.00 0.00 H new ATOM 1106 N GLU A 71 4.585 23.263 0.802 1.00 0.00 N ATOM 1107 CA GLU A 71 4.887 23.427 2.217 1.00 0.00 C ATOM 1108 C GLU A 71 6.299 23.988 2.379 1.00 0.00 C ATOM 1109 O GLU A 71 6.569 24.702 3.342 1.00 0.00 O ATOM 1110 CB GLU A 71 4.755 22.078 2.926 1.00 0.00 C ATOM 1111 CG GLU A 71 3.350 21.483 2.791 1.00 0.00 C ATOM 1112 CD GLU A 71 2.265 22.327 3.461 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.620 23.258 4.222 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.076 22.031 3.207 1.00 0.00 O ATOM 0 H GLU A 71 4.580 22.296 0.477 1.00 0.00 H new ATOM 0 HA GLU A 71 4.183 24.128 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.483 21.380 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.995 22.201 3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.111 21.371 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.343 20.484 3.227 1.00 0.00 H new ATOM 1121 N ALA A 72 7.193 23.672 1.438 1.00 0.00 N ATOM 1122 CA ALA A 72 8.543 24.211 1.433 1.00 0.00 C ATOM 1123 C ALA A 72 8.562 25.639 0.887 1.00 0.00 C ATOM 1124 O ALA A 72 9.472 26.403 1.199 1.00 0.00 O ATOM 1125 CB ALA A 72 9.426 23.295 0.588 1.00 0.00 C ATOM 0 H ALA A 72 6.996 23.037 0.664 1.00 0.00 H new ATOM 0 HA ALA A 72 8.924 24.252 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.444 23.684 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.427 22.293 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.038 23.253 -0.430 1.00 0.00 H new ATOM 1131 N ARG A 73 7.565 26.009 0.074 1.00 0.00 N ATOM 1132 CA ARG A 73 7.419 27.376 -0.411 1.00 0.00 C ATOM 1133 C ARG A 73 6.977 28.273 0.737 1.00 0.00 C ATOM 1134 O ARG A 73 7.611 29.282 1.032 1.00 0.00 O ATOM 1135 CB ARG A 73 6.370 27.415 -1.525 1.00 0.00 C ATOM 1136 CG ARG A 73 6.056 28.853 -1.958 1.00 0.00 C ATOM 1137 CD ARG A 73 4.676 28.894 -2.610 1.00 0.00 C ATOM 1138 NE ARG A 73 4.325 30.250 -3.044 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.688 30.769 -4.217 1.00 0.00 C ATOM 1140 NH1 ARG A 73 5.424 30.052 -5.059 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.321 32.002 -4.554 1.00 0.00 N ATOM 0 H ARG A 73 6.844 25.370 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 73 8.373 27.728 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.729 26.847 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.456 26.930 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.083 29.519 -1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.812 29.207 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.658 28.221 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.928 28.532 -1.904 1.00 0.00 H new ATOM 0 HE ARG A 73 3.772 30.829 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.710 29.106 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.703 30.448 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.757 32.559 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.604 32.390 -5.454 1.00 0.00 H new ATOM 1155 N ASN A 74 5.876 27.891 1.384 1.00 0.00 N ATOM 1156 CA ASN A 74 5.302 28.644 2.485 1.00 0.00 C ATOM 1157 C ASN A 74 6.231 28.678 3.697 1.00 0.00 C ATOM 1158 O ASN A 74 6.029 29.478 4.608 1.00 0.00 O ATOM 1159 CB ASN A 74 3.931 28.051 2.818 1.00 0.00 C ATOM 1160 CG ASN A 74 2.896 28.457 1.776 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.439 29.595 1.759 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.518 27.531 0.900 1.00 0.00 N ATOM 0 H ASN A 74 5.358 27.043 1.153 1.00 0.00 H new ATOM 0 HA ASN A 74 5.175 29.685 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.001 26.964 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.613 28.390 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.827 27.758 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.919 26.594 0.943 1.00 0.00 H new ATOM 1169 N ALA A 75 7.251 27.814 3.711 1.00 0.00 N ATOM 1170 CA ALA A 75 8.266 27.812 4.752 1.00 0.00 C ATOM 1171 C ALA A 75 9.346 28.867 4.493 1.00 0.00 C ATOM 1172 O ALA A 75 10.220 29.069 5.336 1.00 0.00 O ATOM 1173 CB ALA A 75 8.879 26.419 4.834 1.00 0.00 C ATOM 0 H ALA A 75 7.390 27.099 2.997 1.00 0.00 H new ATOM 0 HA ALA A 75 7.798 28.068 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.643 26.403 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.102 25.693 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.331 26.164 3.876 1.00 0.00 H new ATOM 1179 N VAL A 76 9.300 29.538 3.338 1.00 0.00 N ATOM 1180 CA VAL A 76 10.281 30.551 2.959 1.00 0.00 C ATOM 1181 C VAL A 76 9.614 31.876 2.592 1.00 0.00 C ATOM 1182 O VAL A 76 10.286 32.898 2.489 1.00 0.00 O ATOM 1183 CB VAL A 76 11.156 30.011 1.818 1.00 0.00 C ATOM 1184 CG1 VAL A 76 12.279 30.983 1.449 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.805 28.684 2.223 1.00 0.00 C ATOM 0 H VAL A 76 8.574 29.390 2.637 1.00 0.00 H new ATOM 0 HA VAL A 76 10.920 30.762 3.817 1.00 0.00 H new ATOM 0 HB VAL A 76 10.498 29.876 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.873 30.562 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.848 31.932 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.916 31.149 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.421 28.315 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.427 28.838 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.028 27.954 2.450 1.00 0.00 H new ATOM 1195 N MET A 77 8.292 31.871 2.398 1.00 0.00 N ATOM 1196 CA MET A 77 7.554 33.081 2.065 1.00 0.00 C ATOM 1197 C MET A 77 7.048 33.820 3.302 1.00 0.00 C ATOM 1198 O MET A 77 6.445 34.884 3.173 1.00 0.00 O ATOM 1199 CB MET A 77 6.401 32.744 1.115 1.00 0.00 C ATOM 1200 CG MET A 77 6.954 32.227 -0.213 1.00 0.00 C ATOM 1201 SD MET A 77 8.019 33.417 -1.068 1.00 0.00 S ATOM 1202 CE MET A 77 9.121 32.251 -1.905 1.00 0.00 C ATOM 0 H MET A 77 7.713 31.034 2.468 1.00 0.00 H new ATOM 0 HA MET A 77 8.245 33.760 1.564 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.754 31.992 1.567 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.789 33.630 0.944 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.519 31.313 -0.030 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.122 31.963 -0.865 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.676 32.771 -2.686 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.820 31.829 -1.183 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.532 31.450 -2.351 1.00 0.00 H new ATOM 1212 N SER A 78 7.287 33.276 4.501 1.00 0.00 N ATOM 1213 CA SER A 78 6.866 33.932 5.733 1.00 0.00 C ATOM 1214 C SER A 78 7.656 33.459 6.949 1.00 0.00 C ATOM 1215 O SER A 78 7.996 34.271 7.807 1.00 0.00 O ATOM 1216 CB SER A 78 5.375 33.665 5.945 1.00 0.00 C ATOM 1217 OG SER A 78 4.948 34.204 7.176 1.00 0.00 O ATOM 0 H SER A 78 7.768 32.387 4.639 1.00 0.00 H new ATOM 0 HA SER A 78 7.058 35.000 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.801 34.105 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.185 32.592 5.925 1.00 0.00 H new ATOM 0 HG SER A 78 3.992 34.027 7.297 1.00 0.00 H new ATOM 1223 N LEU A 79 7.955 32.157 7.036 1.00 0.00 N ATOM 1224 CA LEU A 79 8.649 31.614 8.199 1.00 0.00 C ATOM 1225 C LEU A 79 10.164 31.741 8.062 1.00 0.00 C ATOM 1226 O LEU A 79 10.836 32.136 9.012 1.00 0.00 O ATOM 1227 CB LEU A 79 8.252 30.147 8.396 1.00 0.00 C ATOM 1228 CG LEU A 79 6.734 29.954 8.492 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.433 28.476 8.721 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.147 30.758 9.651 1.00 0.00 C ATOM 0 H LEU A 79 7.727 31.469 6.319 1.00 0.00 H new ATOM 0 HA LEU A 79 8.352 32.193 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.638 29.556 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.721 29.766 9.303 1.00 0.00 H new ATOM 0 HG LEU A 79 6.285 30.302 7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.355 28.331 8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.825 27.892 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.904 28.148 9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.069 30.601 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.599 30.430 10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.354 31.818 9.500 1.00 0.00 H new ATOM 1242 N MET A 80 10.698 31.411 6.884 1.00 0.00 N ATOM 1243 CA MET A 80 12.125 31.472 6.580 1.00 0.00 C ATOM 1244 C MET A 80 12.977 30.758 7.633 1.00 0.00 C ATOM 1245 O MET A 80 14.151 31.075 7.801 1.00 0.00 O ATOM 1246 CB MET A 80 12.564 32.920 6.362 1.00 0.00 C ATOM 1247 CG MET A 80 11.620 33.606 5.374 1.00 0.00 C ATOM 1248 SD MET A 80 12.171 35.230 4.793 1.00 0.00 S ATOM 1249 CE MET A 80 13.441 34.702 3.617 1.00 0.00 C ATOM 0 H MET A 80 10.135 31.087 6.098 1.00 0.00 H new ATOM 0 HA MET A 80 12.290 30.929 5.649 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.564 33.456 7.311 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.585 32.946 5.981 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.485 32.954 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.643 33.717 5.845 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.379 35.210 3.842 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.584 33.624 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.126 34.954 2.604 1.00 0.00 H new ATOM 1259 N GLN A 81 12.378 29.795 8.347 1.00 0.00 N ATOM 1260 CA GLN A 81 13.002 29.068 9.445 1.00 0.00 C ATOM 1261 C GLN A 81 13.505 30.005 10.559 1.00 0.00 C ATOM 1262 O GLN A 81 14.240 29.594 11.453 1.00 0.00 O ATOM 1263 CB GLN A 81 14.037 28.079 8.885 1.00 0.00 C ATOM 1264 CG GLN A 81 14.836 27.289 9.933 1.00 0.00 C ATOM 1265 CD GLN A 81 13.960 26.548 10.941 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.782 26.294 10.704 1.00 0.00 O ATOM 1267 NE2 GLN A 81 14.538 26.187 12.083 1.00 0.00 N ATOM 0 H GLN A 81 11.419 29.497 8.166 1.00 0.00 H new ATOM 0 HA GLN A 81 12.256 28.463 9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.522 27.370 8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.739 28.631 8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.476 26.569 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.492 27.974 10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.518 26.412 12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.001 25.685 12.790 1.00 0.00 H new ATOM 1276 N SER A 82 13.107 31.279 10.511 1.00 0.00 N ATOM 1277 CA SER A 82 13.515 32.278 11.491 1.00 0.00 C ATOM 1278 C SER A 82 12.718 32.136 12.789 1.00 0.00 C ATOM 1279 O SER A 82 13.073 32.742 13.800 1.00 0.00 O ATOM 1280 CB SER A 82 13.319 33.675 10.908 1.00 0.00 C ATOM 1281 OG SER A 82 11.941 33.967 10.765 1.00 0.00 O ATOM 0 H SER A 82 12.490 31.644 9.786 1.00 0.00 H new ATOM 0 HA SER A 82 14.568 32.123 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.787 34.415 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.813 33.743 9.939 1.00 0.00 H new ATOM 0 HG SER A 82 11.537 33.337 10.132 1.00 0.00 H new ATOM 1287 N HIS A 83 11.645 31.339 12.769 1.00 0.00 N ATOM 1288 CA HIS A 83 10.811 31.102 13.939 1.00 0.00 C ATOM 1289 C HIS A 83 11.543 30.271 14.992 1.00 0.00 C ATOM 1290 O HIS A 83 12.595 29.698 14.721 1.00 0.00 O ATOM 1291 CB HIS A 83 9.495 30.436 13.517 1.00 0.00 C ATOM 1292 CG HIS A 83 9.630 29.113 12.800 1.00 0.00 C ATOM 1293 ND1 HIS A 83 8.579 28.332 12.360 1.00 0.00 N ATOM 1294 CD2 HIS A 83 10.789 28.466 12.462 1.00 0.00 C ATOM 1295 CE1 HIS A 83 9.087 27.237 11.761 1.00 0.00 C ATOM 1296 NE2 HIS A 83 10.429 27.302 11.810 1.00 0.00 N ATOM 0 H HIS A 83 11.334 30.841 11.935 1.00 0.00 H new ATOM 0 HA HIS A 83 10.582 32.064 14.398 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.884 30.285 14.407 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.952 31.125 12.870 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.795 28.802 12.667 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.511 26.439 11.315 1.00 0.00 H new ATOM 0 HE2 HIS A 83 11.073 26.609 11.430 1.00 0.00 H new ATOM 1305 N GLN A 84 10.972 30.211 16.201 1.00 0.00 N ATOM 1306 CA GLN A 84 11.513 29.453 17.325 1.00 0.00 C ATOM 1307 C GLN A 84 12.953 29.847 17.674 1.00 0.00 C ATOM 1308 O GLN A 84 13.679 29.073 18.297 1.00 0.00 O ATOM 1309 CB GLN A 84 11.361 27.947 17.075 1.00 0.00 C ATOM 1310 CG GLN A 84 9.896 27.573 16.845 1.00 0.00 C ATOM 1311 CD GLN A 84 9.715 26.077 16.600 1.00 0.00 C ATOM 1312 OE1 GLN A 84 10.676 25.312 16.582 1.00 0.00 O ATOM 1313 NE2 GLN A 84 8.471 25.649 16.407 1.00 0.00 N ATOM 0 H GLN A 84 10.105 30.699 16.425 1.00 0.00 H new ATOM 0 HA GLN A 84 10.926 29.710 18.207 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.954 27.657 16.208 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.752 27.392 17.928 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.306 27.872 17.712 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.511 28.129 15.990 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.695 26.311 16.428 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.293 24.659 16.238 1.00 0.00 H new ATOM 1322 N ASP A 85 13.377 31.050 17.272 1.00 0.00 N ATOM 1323 CA ASP A 85 14.716 31.553 17.539 1.00 0.00 C ATOM 1324 C ASP A 85 14.987 31.891 19.009 1.00 0.00 C ATOM 1325 O ASP A 85 16.126 32.119 19.411 1.00 0.00 O ATOM 1326 CB ASP A 85 15.036 32.705 16.577 1.00 0.00 C ATOM 1327 CG ASP A 85 16.254 33.527 16.995 1.00 0.00 C ATOM 1328 OD1 ASP A 85 16.055 34.719 17.320 1.00 0.00 O ATOM 1329 OD2 ASP A 85 17.370 32.959 16.987 1.00 0.00 O ATOM 0 H ASP A 85 12.792 31.701 16.749 1.00 0.00 H new ATOM 0 HA ASP A 85 15.413 30.738 17.345 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.206 32.299 15.580 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.169 33.363 16.509 1.00 0.00 H new ATOM 1334 N LYS A 86 13.919 31.917 19.811 1.00 0.00 N ATOM 1335 CA LYS A 86 13.969 32.260 21.226 1.00 0.00 C ATOM 1336 C LYS A 86 12.984 31.407 22.016 1.00 0.00 C ATOM 1337 O LYS A 86 11.836 31.260 21.539 1.00 0.00 O ATOM 1338 CB LYS A 86 13.668 33.749 21.425 1.00 0.00 C ATOM 1339 CG LYS A 86 14.653 34.645 20.671 1.00 0.00 C ATOM 1340 CD LYS A 86 14.353 36.112 20.979 1.00 0.00 C ATOM 1341 CE LYS A 86 15.357 37.034 20.281 1.00 0.00 C ATOM 1342 NZ LYS A 86 15.276 36.919 18.810 1.00 0.00 N ATOM 0 H LYS A 86 12.979 31.695 19.484 1.00 0.00 H new ATOM 0 HA LYS A 86 14.974 32.058 21.596 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.654 33.961 21.086 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.705 33.986 22.488 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.675 34.404 20.962 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.576 34.465 19.599 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.342 36.356 20.654 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.390 36.276 22.056 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.169 38.066 20.576 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.367 36.788 20.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.843 37.672 18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.643 35.992 18.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.285 37.012 18.509 1.00 0.00 H new TER 1356 LYS A 86