USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1050 hydrogens (25 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 122 SER OG : rot 51:sc= 1.39 USER MOD Set 1.2: A 125 THR OG1 : rot 160:sc= 1.01 USER MOD Set 2.1: A 99 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.7) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 84 LYS NZ :NH3+ 178:sc= -0.13 (180deg=-0.145) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -134:sc= 0 (180deg=0) USER MOD Set 4.1: A 64 TYR OH : rot 58:sc= 1.19 USER MOD Set 4.2: A 66 GLN : amide:sc= -0.746 K(o=2.7,f=0.52!) USER MOD Set 4.3: A 71 CYS SG : rot -101:sc= 1.94 USER MOD Set 4.4: A 93 ASN : amide:sc= 0.327 K(o=2.7,f=0.057!) USER MOD Set 5.1: A 59 CYS SG : rot -70:sc= -3.16! USER MOD Set 5.2: A 117 TYR OH : rot 73:sc= -0.563 USER MOD Set 6.1: A 25 HIS :FLIP no HD1:sc= -0.261 F(o=-1.2,f=-0.68) USER MOD Set 6.2: A 29 ASN : amide:sc= -0.418 K(o=-0.68,f=-3.2) USER MOD Set 7.1: A 21 LYS NZ :NH3+ 155:sc= -1.26 (180deg=-2.19) USER MOD Set 7.2: A 126 THR OG1 : rot -29:sc= 0.197 USER MOD Set 8.1: A 3 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.748) USER MOD Set 8.2: A 4 LYS NZ :NH3+ -175:sc=-0.00103 (180deg=-0.0353) USER MOD Single : A 1 MET CE :methyl -119:sc= 0 (180deg=-1.86) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0 (180deg=-0.397) USER MOD Single : A 5 THR OG1 : rot 147:sc= 0.912 USER MOD Single : A 13 SER OG : rot -51:sc= 0.0913 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.242 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 20 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.069) USER MOD Single : A 26 SER OG : rot 80:sc= 1.1 USER MOD Single : A 28 THR OG1 : rot 79:sc= 0.281 USER MOD Single : A 33 ASN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.1) USER MOD Single : A 41 SER OG : rot -33:sc= 0.637 USER MOD Single : A 42 SER OG : rot 40:sc= 0.775 USER MOD Single : A 43 GLN : amide:sc= -2.24 K(o=-2.2,f=-5.3!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -32:sc= 0.3 USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= -0.329 (180deg=-1.77!) USER MOD Single : A 61 SER OG : rot 130:sc= 0 USER MOD Single : A 62 SER OG : rot -170:sc= -0.0728 USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= -0.0211 (180deg=-0.212) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -1.66 (180deg=-2.31) USER MOD Single : A 78 CYS SG : rot 170:sc= 1.08 USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.215) USER MOD Single : A 100 ASN : amide:sc=-0.00476 K(o=-0.0048,f=-1.1) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -151:sc= -0.0199 (180deg=-0.393) USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0069 USER MOD Single : A 130 MET CE :methyl -157:sc= -0.692 (180deg=-2.46) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 FOP N4 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 DBI O2' : rot 180:sc= -0.303 USER MOD Single : A 139 DBI O5' : rot 180:sc= -0.0608 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.138 6.606 12.125 1.00 0.00 N ATOM 2 CA MET A 1 -2.074 5.309 12.763 1.00 0.00 C ATOM 3 C MET A 1 -3.411 4.631 12.459 1.00 0.00 C ATOM 4 O MET A 1 -3.456 3.484 12.029 1.00 0.00 O ATOM 5 CB MET A 1 -1.811 5.455 14.274 1.00 0.00 C ATOM 6 CG MET A 1 -1.734 4.114 15.018 1.00 0.00 C ATOM 7 SD MET A 1 -0.457 3.037 14.347 1.00 0.00 S ATOM 8 CE MET A 1 -0.726 1.589 15.388 1.00 0.00 C ATOM 0 H1 MET A 1 -1.175 6.978 11.997 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.600 6.514 11.198 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.685 7.260 12.721 1.00 0.00 H new ATOM 0 HA MET A 1 -1.249 4.704 12.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.876 5.996 14.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.603 6.061 14.715 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.535 4.297 16.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.699 3.611 14.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.176 1.382 15.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.555 1.780 16.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.962 0.729 14.761 1.00 0.00 H new ATOM 20 N GLU A 2 -4.489 5.411 12.713 1.00 0.00 N ATOM 21 CA GLU A 2 -5.841 4.928 12.483 1.00 0.00 C ATOM 22 C GLU A 2 -6.571 6.022 11.697 1.00 0.00 C ATOM 23 O GLU A 2 -7.754 6.270 11.902 1.00 0.00 O ATOM 24 CB GLU A 2 -6.542 4.594 13.814 1.00 0.00 C ATOM 25 CG GLU A 2 -5.850 3.442 14.555 1.00 0.00 C ATOM 26 CD GLU A 2 -6.642 3.017 15.802 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.667 2.352 15.652 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.224 3.351 16.911 1.00 0.00 O ATOM 0 H GLU A 2 -4.434 6.364 13.073 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.839 3.999 11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.553 5.479 14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.581 4.328 13.620 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.741 2.590 13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.845 3.748 14.848 1.00 0.00 H new ATOM 35 N LYS A 3 -5.810 6.648 10.771 1.00 0.00 N ATOM 36 CA LYS A 3 -6.328 7.691 9.931 1.00 0.00 C ATOM 37 C LYS A 3 -7.111 7.011 8.800 1.00 0.00 C ATOM 38 O LYS A 3 -6.755 5.959 8.285 1.00 0.00 O ATOM 39 CB LYS A 3 -5.160 8.564 9.458 1.00 0.00 C ATOM 40 CG LYS A 3 -5.513 10.032 9.603 1.00 0.00 C ATOM 41 CD LYS A 3 -4.438 10.974 9.063 1.00 0.00 C ATOM 42 CE LYS A 3 -4.646 12.424 9.516 1.00 0.00 C ATOM 43 NZ LYS A 3 -5.884 13.015 9.025 1.00 0.00 N ATOM 0 H LYS A 3 -4.828 6.428 10.605 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.014 8.363 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.267 8.338 10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.926 8.339 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.450 10.225 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.684 10.254 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.458 10.630 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.438 10.934 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.643 12.460 10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.805 13.027 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.690 13.966 8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.277 12.419 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.570 13.082 9.804 1.00 0.00 H new ATOM 56 N LYS A 4 -8.203 7.728 8.477 1.00 0.00 N ATOM 57 CA LYS A 4 -9.192 7.348 7.487 1.00 0.00 C ATOM 58 C LYS A 4 -8.647 7.672 6.096 1.00 0.00 C ATOM 59 O LYS A 4 -8.779 8.789 5.611 1.00 0.00 O ATOM 60 CB LYS A 4 -10.509 8.101 7.783 1.00 0.00 C ATOM 61 CG LYS A 4 -10.347 9.604 8.088 1.00 0.00 C ATOM 62 CD LYS A 4 -10.316 9.914 9.593 1.00 0.00 C ATOM 63 CE LYS A 4 -10.133 11.407 9.881 1.00 0.00 C ATOM 64 NZ LYS A 4 -8.817 11.897 9.490 1.00 0.00 N ATOM 0 H LYS A 4 -8.416 8.620 8.923 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.399 6.279 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.174 7.989 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.999 7.624 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.426 9.964 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.168 10.153 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.244 9.570 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.504 9.355 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.899 11.972 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.283 11.589 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.715 12.890 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.082 11.323 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.714 11.829 8.457 1.00 0.00 H new ATOM 77 N THR A 5 -8.046 6.620 5.484 1.00 0.00 N ATOM 78 CA THR A 5 -7.489 6.731 4.140 1.00 0.00 C ATOM 79 C THR A 5 -6.736 5.410 3.882 1.00 0.00 C ATOM 80 O THR A 5 -5.739 5.097 4.521 1.00 0.00 O ATOM 81 CB THR A 5 -6.588 7.999 3.960 1.00 0.00 C ATOM 82 OG1 THR A 5 -6.069 8.612 5.184 1.00 0.00 O ATOM 83 CG2 THR A 5 -7.236 8.993 2.943 1.00 0.00 C ATOM 0 H THR A 5 -7.942 5.698 5.908 1.00 0.00 H new ATOM 0 HA THR A 5 -8.278 6.873 3.401 1.00 0.00 H new ATOM 0 HB THR A 5 -5.657 7.640 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.185 8.997 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.596 9.868 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.351 8.502 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.214 9.304 3.311 1.00 0.00 H new ATOM 91 N ILE A 6 -7.273 4.667 2.885 1.00 0.00 N ATOM 92 CA ILE A 6 -6.715 3.398 2.476 1.00 0.00 C ATOM 93 C ILE A 6 -7.050 3.285 0.989 1.00 0.00 C ATOM 94 O ILE A 6 -8.206 3.267 0.587 1.00 0.00 O ATOM 95 CB ILE A 6 -7.235 2.177 3.294 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.512 2.478 4.178 1.00 0.00 C ATOM 97 CG2 ILE A 6 -6.745 0.851 2.592 1.00 0.00 C ATOM 98 CD1 ILE A 6 -8.962 1.298 5.064 1.00 0.00 C ATOM 0 H ILE A 6 -8.100 4.946 2.357 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.642 3.374 2.665 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.850 1.862 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.304 3.337 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.336 2.760 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.102 -0.012 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.138 0.810 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.656 0.838 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.843 1.588 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.205 0.442 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.157 1.029 5.748 1.00 0.00 H new ATOM 110 N VAL A 7 -5.943 3.193 0.220 1.00 0.00 N ATOM 111 CA VAL A 7 -5.960 3.072 -1.222 1.00 0.00 C ATOM 112 C VAL A 7 -5.829 1.581 -1.586 1.00 0.00 C ATOM 113 O VAL A 7 -4.921 0.896 -1.130 1.00 0.00 O ATOM 114 CB VAL A 7 -4.844 3.971 -1.862 1.00 0.00 C ATOM 115 CG1 VAL A 7 -3.477 3.688 -1.183 1.00 0.00 C ATOM 116 CG2 VAL A 7 -4.810 4.598 -3.276 1.00 0.00 C ATOM 0 H VAL A 7 -5.001 3.203 0.610 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.902 3.435 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.360 4.913 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.709 4.317 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.547 3.909 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.213 2.639 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.888 5.167 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.852 3.808 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.665 5.262 -3.400 1.00 0.00 H new ATOM 126 N LEU A 8 -6.805 1.129 -2.414 1.00 0.00 N ATOM 127 CA LEU A 8 -6.850 -0.270 -2.842 1.00 0.00 C ATOM 128 C LEU A 8 -6.877 -0.274 -4.373 1.00 0.00 C ATOM 129 O LEU A 8 -7.540 0.539 -5.005 1.00 0.00 O ATOM 130 CB LEU A 8 -8.099 -0.965 -2.267 1.00 0.00 C ATOM 131 CG LEU A 8 -8.306 -2.431 -2.766 1.00 0.00 C ATOM 132 CD1 LEU A 8 -7.090 -3.328 -2.374 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.695 -2.928 -3.256 1.00 0.00 C ATOM 0 H LEU A 8 -7.555 1.711 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.981 -0.817 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.029 -0.970 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.979 -0.377 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.381 -2.616 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.257 -4.344 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.182 -2.928 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.980 -3.339 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.622 -3.973 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.421 -2.834 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.018 -2.326 -4.106 1.00 0.00 H new ATOM 145 N GLY A 9 -6.131 -1.260 -4.923 1.00 0.00 N ATOM 146 CA GLY A 9 -6.048 -1.431 -6.367 1.00 0.00 C ATOM 147 C GLY A 9 -4.750 -2.149 -6.715 1.00 0.00 C ATOM 148 O GLY A 9 -3.936 -2.412 -5.838 1.00 0.00 O ATOM 0 H GLY A 9 -5.589 -1.935 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.902 -2.005 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.085 -0.461 -6.862 1.00 0.00 H new ATOM 152 N VAL A 10 -4.622 -2.481 -8.032 1.00 0.00 N ATOM 153 CA VAL A 10 -3.443 -3.183 -8.517 1.00 0.00 C ATOM 154 C VAL A 10 -3.582 -3.809 -9.921 1.00 0.00 C ATOM 155 O VAL A 10 -3.801 -3.118 -10.905 1.00 0.00 O ATOM 156 CB VAL A 10 -3.160 -4.351 -7.571 1.00 0.00 C ATOM 157 CG1 VAL A 10 -4.542 -5.110 -7.307 1.00 0.00 C ATOM 158 CG2 VAL A 10 -1.699 -4.885 -7.481 1.00 0.00 C ATOM 0 H VAL A 10 -5.317 -2.270 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.658 -2.429 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.866 -4.210 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.373 -5.951 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.255 -4.421 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.942 -5.477 -8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.657 -5.711 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.378 -5.233 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.039 -4.085 -7.146 1.00 0.00 H new ATOM 168 N ILE A 11 -3.390 -5.166 -9.950 1.00 0.00 N ATOM 169 CA ILE A 11 -3.457 -5.886 -11.218 1.00 0.00 C ATOM 170 C ILE A 11 -3.319 -7.374 -10.869 1.00 0.00 C ATOM 171 O ILE A 11 -3.785 -7.822 -9.830 1.00 0.00 O ATOM 172 CB ILE A 11 -2.344 -5.442 -12.219 1.00 0.00 C ATOM 173 CG1 ILE A 11 -2.923 -4.693 -13.487 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.981 -5.310 -11.443 1.00 0.00 C ATOM 175 CD1 ILE A 11 -1.881 -4.299 -14.557 1.00 0.00 C ATOM 0 H ILE A 11 -3.196 -5.744 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.399 -5.673 -11.723 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.861 -6.061 -12.975 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.674 -5.331 -13.953 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.434 -3.790 -13.153 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.197 -5.000 -12.134 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.083 -4.566 -10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.718 -6.272 -11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.381 -3.792 -15.382 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.141 -3.631 -14.116 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.385 -5.195 -14.929 1.00 0.00 H new ATOM 187 N GLY A 12 -2.645 -8.103 -11.800 1.00 0.00 N ATOM 188 CA GLY A 12 -2.424 -9.535 -11.660 1.00 0.00 C ATOM 189 C GLY A 12 -3.520 -10.230 -12.458 1.00 0.00 C ATOM 190 O GLY A 12 -4.540 -10.635 -11.912 1.00 0.00 O ATOM 0 H GLY A 12 -2.251 -7.703 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.438 -9.812 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.462 -9.831 -10.612 1.00 0.00 H new ATOM 194 N SER A 13 -3.242 -10.339 -13.782 1.00 0.00 N ATOM 195 CA SER A 13 -4.220 -10.927 -14.677 1.00 0.00 C ATOM 196 C SER A 13 -3.953 -12.425 -14.746 1.00 0.00 C ATOM 197 O SER A 13 -3.448 -12.956 -15.728 1.00 0.00 O ATOM 198 CB SER A 13 -4.140 -10.304 -16.105 1.00 0.00 C ATOM 199 OG SER A 13 -4.876 -10.933 -17.234 1.00 0.00 O ATOM 0 H SER A 13 -2.375 -10.034 -14.224 1.00 0.00 H new ATOM 0 HA SER A 13 -5.221 -10.728 -14.295 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.484 -9.273 -16.028 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.087 -10.268 -16.384 1.00 0.00 H new ATOM 0 HG SER A 13 -4.668 -11.890 -17.267 1.00 0.00 H new ATOM 205 N ASP A 14 -4.354 -13.064 -13.632 1.00 0.00 N ATOM 206 CA ASP A 14 -4.280 -14.497 -13.489 1.00 0.00 C ATOM 207 C ASP A 14 -5.564 -15.023 -14.183 1.00 0.00 C ATOM 208 O ASP A 14 -5.605 -16.104 -14.759 1.00 0.00 O ATOM 209 CB ASP A 14 -4.212 -14.847 -11.990 1.00 0.00 C ATOM 210 CG ASP A 14 -4.018 -16.356 -11.760 1.00 0.00 C ATOM 211 OD1 ASP A 14 -2.970 -16.879 -12.137 1.00 0.00 O ATOM 212 OD2 ASP A 14 -4.915 -16.990 -11.204 1.00 0.00 O ATOM 0 H ASP A 14 -4.736 -12.586 -12.816 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.397 -14.949 -13.940 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.390 -14.301 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.129 -14.520 -11.499 1.00 0.00 H new ATOM 217 N CYS A 15 -6.585 -14.141 -14.081 1.00 0.00 N ATOM 218 CA CYS A 15 -7.919 -14.255 -14.601 1.00 0.00 C ATOM 219 C CYS A 15 -8.423 -12.800 -14.701 1.00 0.00 C ATOM 220 O CYS A 15 -9.065 -12.448 -15.683 1.00 0.00 O ATOM 221 CB CYS A 15 -8.790 -15.115 -13.673 1.00 0.00 C ATOM 222 SG CYS A 15 -8.820 -14.539 -11.955 1.00 0.00 S ATOM 0 H CYS A 15 -6.458 -13.260 -13.583 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.957 -14.752 -15.570 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.809 -15.131 -14.059 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.425 -16.142 -13.696 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.580 -15.322 -11.248 1.00 0.00 H new ATOM 228 N HIS A 16 -8.100 -11.968 -13.663 1.00 0.00 N ATOM 229 CA HIS A 16 -8.557 -10.593 -13.715 1.00 0.00 C ATOM 230 C HIS A 16 -7.765 -9.898 -12.620 1.00 0.00 C ATOM 231 O HIS A 16 -6.939 -9.032 -12.881 1.00 0.00 O ATOM 232 CB HIS A 16 -10.088 -10.508 -13.503 1.00 0.00 C ATOM 233 CG HIS A 16 -10.556 -9.072 -13.551 1.00 0.00 C ATOM 234 ND1 HIS A 16 -10.715 -8.292 -12.460 1.00 0.00 N ATOM 235 CD2 HIS A 16 -10.900 -8.323 -14.687 1.00 0.00 C ATOM 236 CE1 HIS A 16 -11.143 -7.104 -12.921 1.00 0.00 C ATOM 237 NE2 HIS A 16 -11.264 -7.092 -14.261 1.00 0.00 N ATOM 0 H HIS A 16 -7.557 -12.228 -12.839 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.392 -10.120 -14.683 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -10.599 -11.088 -14.271 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.352 -10.950 -12.542 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.878 -8.666 -15.711 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.364 -6.257 -12.289 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.569 -6.310 -14.840 1.00 0.00 H new ATOM 245 N ALA A 17 -8.096 -10.365 -11.394 1.00 0.00 N ATOM 246 CA ALA A 17 -7.534 -9.931 -10.130 1.00 0.00 C ATOM 247 C ALA A 17 -8.730 -9.720 -9.208 1.00 0.00 C ATOM 248 O ALA A 17 -9.418 -8.708 -9.284 1.00 0.00 O ATOM 249 CB ALA A 17 -6.708 -8.631 -10.183 1.00 0.00 C ATOM 0 H ALA A 17 -8.801 -11.092 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.827 -10.690 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.334 -8.396 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.867 -8.762 -10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.337 -7.814 -10.536 1.00 0.00 H new ATOM 255 N VAL A 18 -8.935 -10.741 -8.343 1.00 0.00 N ATOM 256 CA VAL A 18 -9.984 -10.658 -7.331 1.00 0.00 C ATOM 257 C VAL A 18 -9.415 -9.924 -6.085 1.00 0.00 C ATOM 258 O VAL A 18 -9.261 -10.498 -5.015 1.00 0.00 O ATOM 259 CB VAL A 18 -10.514 -12.076 -6.944 1.00 0.00 C ATOM 260 CG1 VAL A 18 -9.336 -13.084 -6.746 1.00 0.00 C ATOM 261 CG2 VAL A 18 -11.937 -12.292 -6.369 1.00 0.00 C ATOM 0 H VAL A 18 -8.396 -11.607 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.829 -10.100 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.093 -12.484 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.735 -14.062 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.768 -13.166 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.682 -12.728 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.093 -13.353 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.043 -11.731 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.677 -11.944 -7.090 1.00 0.00 H new ATOM 271 N GLY A 19 -9.107 -8.625 -6.313 1.00 0.00 N ATOM 272 CA GLY A 19 -8.571 -7.720 -5.291 1.00 0.00 C ATOM 273 C GLY A 19 -9.701 -6.971 -4.563 1.00 0.00 C ATOM 274 O GLY A 19 -9.561 -6.452 -3.454 1.00 0.00 O ATOM 0 H GLY A 19 -9.228 -8.180 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.984 -8.289 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.896 -7.002 -5.756 1.00 0.00 H new ATOM 278 N ASN A 20 -10.854 -6.988 -5.280 1.00 0.00 N ATOM 279 CA ASN A 20 -12.109 -6.389 -4.844 1.00 0.00 C ATOM 280 C ASN A 20 -12.267 -6.812 -3.386 1.00 0.00 C ATOM 281 O ASN A 20 -12.374 -5.958 -2.512 1.00 0.00 O ATOM 282 CB ASN A 20 -13.278 -6.855 -5.735 1.00 0.00 C ATOM 283 CG ASN A 20 -13.056 -6.432 -7.196 1.00 0.00 C ATOM 284 OD1 ASN A 20 -13.365 -5.316 -7.594 1.00 0.00 O ATOM 285 ND2 ASN A 20 -12.505 -7.395 -7.959 1.00 0.00 N ATOM 0 H ASN A 20 -10.922 -7.432 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.108 -5.302 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.375 -7.939 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.212 -6.431 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.316 -7.218 -8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.276 -8.301 -7.550 1.00 0.00 H new ATOM 292 N LYS A 21 -12.175 -8.185 -3.284 1.00 0.00 N ATOM 293 CA LYS A 21 -12.177 -9.252 -2.262 1.00 0.00 C ATOM 294 C LYS A 21 -12.163 -8.627 -0.879 1.00 0.00 C ATOM 295 O LYS A 21 -11.416 -8.922 0.042 1.00 0.00 O ATOM 296 CB LYS A 21 -11.012 -10.227 -2.545 1.00 0.00 C ATOM 297 CG LYS A 21 -10.854 -11.377 -1.528 1.00 0.00 C ATOM 298 CD LYS A 21 -9.703 -11.143 -0.534 1.00 0.00 C ATOM 299 CE LYS A 21 -10.074 -11.473 0.912 1.00 0.00 C ATOM 300 NZ LYS A 21 -9.129 -10.872 1.841 1.00 0.00 N ATOM 0 H LYS A 21 -12.070 -8.665 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.087 -9.851 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.153 -10.657 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.083 -9.658 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.786 -11.497 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.680 -12.309 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.848 -11.751 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.389 -10.101 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.080 -11.111 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.088 -12.554 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.589 -10.733 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.308 -11.500 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.814 -9.953 1.470 1.00 0.00 H new ATOM 313 N ILE A 22 -13.124 -7.727 -0.860 1.00 0.00 N ATOM 314 CA ILE A 22 -13.560 -6.835 0.136 1.00 0.00 C ATOM 315 C ILE A 22 -12.323 -6.322 0.914 1.00 0.00 C ATOM 316 O ILE A 22 -12.261 -6.303 2.141 1.00 0.00 O ATOM 317 CB ILE A 22 -14.792 -7.463 0.848 1.00 0.00 C ATOM 318 CG1 ILE A 22 -15.109 -8.954 0.585 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.862 -6.345 1.092 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.840 -9.141 -0.755 1.00 0.00 C ATOM 0 H ILE A 22 -13.696 -7.607 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.984 -5.889 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.585 -7.794 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.183 -9.530 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.724 -9.346 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.730 -6.775 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.434 -5.562 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.167 -5.919 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -16.049 -10.199 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.777 -8.585 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.213 -8.772 -1.566 1.00 0.00 H new ATOM 332 N LEU A 23 -11.316 -5.896 0.087 1.00 0.00 N ATOM 333 CA LEU A 23 -10.147 -5.243 0.672 1.00 0.00 C ATOM 334 C LEU A 23 -10.744 -3.877 1.198 1.00 0.00 C ATOM 335 O LEU A 23 -10.405 -3.313 2.242 1.00 0.00 O ATOM 336 CB LEU A 23 -9.039 -5.055 -0.388 1.00 0.00 C ATOM 337 CG LEU A 23 -8.057 -6.275 -0.658 1.00 0.00 C ATOM 338 CD1 LEU A 23 -6.761 -6.874 0.002 1.00 0.00 C ATOM 339 CD2 LEU A 23 -8.936 -7.522 -0.822 1.00 0.00 C ATOM 0 H LEU A 23 -11.305 -5.995 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.662 -5.811 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.519 -4.796 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.434 -4.198 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.517 -5.648 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.437 -7.749 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.970 -6.124 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.977 -7.164 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.304 -8.390 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.512 -7.683 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.616 -7.380 -1.661 1.00 0.00 H new ATOM 351 N ASP A 24 -11.748 -3.439 0.387 1.00 0.00 N ATOM 352 CA ASP A 24 -12.528 -2.252 0.662 1.00 0.00 C ATOM 353 C ASP A 24 -13.529 -2.594 1.800 1.00 0.00 C ATOM 354 O ASP A 24 -14.378 -1.779 2.125 1.00 0.00 O ATOM 355 CB ASP A 24 -13.277 -1.844 -0.627 1.00 0.00 C ATOM 356 CG ASP A 24 -12.353 -1.240 -1.706 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.345 -0.624 -1.360 1.00 0.00 O ATOM 358 OD2 ASP A 24 -12.659 -1.389 -2.888 1.00 0.00 O ATOM 0 H ASP A 24 -12.020 -3.918 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.896 -1.420 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.781 -2.719 -1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.051 -1.119 -0.375 1.00 0.00 H new ATOM 363 N HIS A 25 -13.427 -3.803 2.406 1.00 0.00 N ATOM 364 CA HIS A 25 -14.334 -4.141 3.506 1.00 0.00 C ATOM 365 C HIS A 25 -13.819 -3.377 4.708 1.00 0.00 C ATOM 366 O HIS A 25 -14.573 -2.809 5.483 1.00 0.00 O ATOM 367 CB HIS A 25 -14.356 -5.635 3.909 1.00 0.00 C ATOM 368 CG HIS A 25 -15.562 -5.975 4.762 1.00 0.00 C ATOM 369 ND1 HIS A 25 -15.721 -7.097 5.592 1.00 0.00 N flip ATOM 370 CD2 HIS A 25 -16.692 -5.235 4.835 1.00 0.00 C flip ATOM 371 CE1 HIS A 25 -16.948 -7.016 6.154 1.00 0.00 C flip ATOM 372 NE2 HIS A 25 -17.507 -5.888 5.680 1.00 0.00 N flip ATOM 0 H HIS A 25 -12.752 -4.526 2.158 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.345 -3.895 3.181 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.361 -6.253 3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -13.445 -5.876 4.457 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -16.897 -4.308 4.319 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.391 -7.717 6.846 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -18.441 -5.566 5.933 1.00 0.00 H new ATOM 380 N SER A 26 -12.472 -3.421 4.777 1.00 0.00 N ATOM 381 CA SER A 26 -11.686 -2.793 5.833 1.00 0.00 C ATOM 382 C SER A 26 -12.094 -1.334 5.974 1.00 0.00 C ATOM 383 O SER A 26 -12.307 -0.835 7.076 1.00 0.00 O ATOM 384 CB SER A 26 -10.162 -2.927 5.536 1.00 0.00 C ATOM 385 OG SER A 26 -9.699 -4.122 4.797 1.00 0.00 O ATOM 0 H SER A 26 -11.901 -3.905 4.084 1.00 0.00 H new ATOM 0 HA SER A 26 -11.882 -3.301 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.853 -2.046 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.633 -2.898 6.488 1.00 0.00 H new ATOM 0 HG SER A 26 -9.864 -3.998 3.839 1.00 0.00 H new ATOM 391 N PHE A 27 -12.216 -0.700 4.785 1.00 0.00 N ATOM 392 CA PHE A 27 -12.577 0.730 4.791 1.00 0.00 C ATOM 393 C PHE A 27 -13.862 0.953 5.600 1.00 0.00 C ATOM 394 O PHE A 27 -13.997 1.893 6.364 1.00 0.00 O ATOM 395 CB PHE A 27 -12.622 1.419 3.392 1.00 0.00 C ATOM 396 CG PHE A 27 -13.970 1.550 2.699 1.00 0.00 C ATOM 397 CD1 PHE A 27 -15.012 2.316 3.224 1.00 0.00 C ATOM 398 CD2 PHE A 27 -14.187 0.919 1.481 1.00 0.00 C ATOM 399 CE1 PHE A 27 -16.233 2.418 2.573 1.00 0.00 C ATOM 400 CE2 PHE A 27 -15.403 1.021 0.817 1.00 0.00 C ATOM 401 CZ PHE A 27 -16.432 1.768 1.367 1.00 0.00 C ATOM 0 H PHE A 27 -12.080 -1.124 3.867 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.751 1.239 5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.204 2.420 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.958 0.867 2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.865 2.840 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.392 0.336 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.029 3.005 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.546 0.518 -0.128 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.382 1.843 0.859 1.00 0.00 H new ATOM 411 N THR A 28 -14.779 0.015 5.375 1.00 0.00 N ATOM 412 CA THR A 28 -16.108 0.044 5.948 1.00 0.00 C ATOM 413 C THR A 28 -16.159 -0.435 7.401 1.00 0.00 C ATOM 414 O THR A 28 -17.077 -0.127 8.152 1.00 0.00 O ATOM 415 CB THR A 28 -16.954 -0.833 4.973 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.441 -1.078 3.618 1.00 0.00 O ATOM 417 CG2 THR A 28 -18.429 -0.379 4.955 1.00 0.00 C ATOM 0 H THR A 28 -14.610 -0.796 4.780 1.00 0.00 H new ATOM 0 HA THR A 28 -16.497 1.059 6.029 1.00 0.00 H new ATOM 0 HB THR A 28 -16.861 -1.824 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.755 -1.777 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.995 -1.008 4.267 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.849 -0.468 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.486 0.659 4.628 1.00 0.00 H new ATOM 425 N ASN A 29 -15.128 -1.196 7.725 1.00 0.00 N ATOM 426 CA ASN A 29 -14.924 -1.855 8.984 1.00 0.00 C ATOM 427 C ASN A 29 -14.409 -0.880 10.023 1.00 0.00 C ATOM 428 O ASN A 29 -14.284 -1.276 11.176 1.00 0.00 O ATOM 429 CB ASN A 29 -14.019 -3.101 8.892 1.00 0.00 C ATOM 430 CG ASN A 29 -14.640 -4.208 8.027 1.00 0.00 C ATOM 431 OD1 ASN A 29 -15.839 -4.244 7.781 1.00 0.00 O ATOM 432 ND2 ASN A 29 -13.737 -5.101 7.587 1.00 0.00 N ATOM 0 H ASN A 29 -14.369 -1.375 7.068 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.901 -2.222 9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.053 -2.816 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.833 -3.487 9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.035 -5.881 7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.754 -4.998 7.838 1.00 0.00 H new ATOM 439 N ALA A 30 -14.112 0.382 9.630 1.00 0.00 N ATOM 440 CA ALA A 30 -13.661 1.278 10.668 1.00 0.00 C ATOM 441 C ALA A 30 -14.084 2.699 10.322 1.00 0.00 C ATOM 442 O ALA A 30 -13.659 3.635 10.989 1.00 0.00 O ATOM 443 CB ALA A 30 -12.156 1.153 10.944 1.00 0.00 C ATOM 0 H ALA A 30 -14.174 0.759 8.684 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.138 0.995 11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.872 1.849 11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.927 0.135 11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.599 1.386 10.036 1.00 0.00 H new ATOM 449 N GLY A 31 -14.942 2.846 9.288 1.00 0.00 N ATOM 450 CA GLY A 31 -15.361 4.190 8.913 1.00 0.00 C ATOM 451 C GLY A 31 -14.165 5.008 8.403 1.00 0.00 C ATOM 452 O GLY A 31 -14.019 6.193 8.680 1.00 0.00 O ATOM 0 H GLY A 31 -15.334 2.087 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.127 4.135 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.810 4.689 9.772 1.00 0.00 H new ATOM 456 N PHE A 32 -13.344 4.273 7.624 1.00 0.00 N ATOM 457 CA PHE A 32 -12.140 4.841 7.035 1.00 0.00 C ATOM 458 C PHE A 32 -12.536 5.176 5.601 1.00 0.00 C ATOM 459 O PHE A 32 -13.406 4.564 4.995 1.00 0.00 O ATOM 460 CB PHE A 32 -10.991 3.812 7.006 1.00 0.00 C ATOM 461 CG PHE A 32 -10.150 3.758 8.256 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.683 3.995 9.520 1.00 0.00 C ATOM 463 CD2 PHE A 32 -8.797 3.448 8.150 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.889 3.904 10.653 1.00 0.00 C ATOM 465 CE2 PHE A 32 -7.999 3.361 9.279 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.548 3.582 10.531 1.00 0.00 C ATOM 0 H PHE A 32 -13.502 3.291 7.396 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.789 5.701 7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.414 2.823 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.342 4.038 6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.727 4.253 9.619 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.364 3.273 7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.316 4.084 11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.950 3.121 9.183 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.930 3.503 11.413 1.00 0.00 H new ATOM 476 N ASN A 33 -11.821 6.212 5.121 1.00 0.00 N ATOM 477 CA ASN A 33 -12.020 6.735 3.788 1.00 0.00 C ATOM 478 C ASN A 33 -11.333 5.751 2.845 1.00 0.00 C ATOM 479 O ASN A 33 -10.230 5.281 3.091 1.00 0.00 O ATOM 480 CB ASN A 33 -11.385 8.137 3.686 1.00 0.00 C ATOM 481 CG ASN A 33 -11.622 8.776 2.308 1.00 0.00 C ATOM 482 OD1 ASN A 33 -12.702 9.268 2.004 1.00 0.00 O ATOM 483 ND2 ASN A 33 -10.543 8.734 1.504 1.00 0.00 N ATOM 0 H ASN A 33 -11.099 6.695 5.655 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.076 6.838 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.801 8.781 4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.314 8.065 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.590 9.131 0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.678 8.305 1.833 1.00 0.00 H new ATOM 490 N VAL A 34 -12.077 5.484 1.754 1.00 0.00 N ATOM 491 CA VAL A 34 -11.587 4.602 0.711 1.00 0.00 C ATOM 492 C VAL A 34 -11.066 5.485 -0.409 1.00 0.00 C ATOM 493 O VAL A 34 -11.544 6.584 -0.659 1.00 0.00 O ATOM 494 CB VAL A 34 -12.675 3.668 0.105 1.00 0.00 C ATOM 495 CG1 VAL A 34 -14.084 4.338 0.153 1.00 0.00 C ATOM 496 CG2 VAL A 34 -12.340 2.489 -0.849 1.00 0.00 C ATOM 0 H VAL A 34 -13.007 5.868 1.585 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.829 3.958 1.157 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.714 2.784 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -14.823 3.662 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.349 4.554 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.065 5.266 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.261 1.984 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.839 2.872 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.684 1.783 -0.339 1.00 0.00 H new ATOM 506 N VAL A 35 -10.037 4.906 -1.043 1.00 0.00 N ATOM 507 CA VAL A 35 -9.364 5.556 -2.142 1.00 0.00 C ATOM 508 C VAL A 35 -9.062 4.474 -3.185 1.00 0.00 C ATOM 509 O VAL A 35 -7.923 4.105 -3.437 1.00 0.00 O ATOM 510 CB VAL A 35 -8.105 6.288 -1.573 1.00 0.00 C ATOM 511 CG1 VAL A 35 -7.465 7.154 -2.685 1.00 0.00 C ATOM 512 CG2 VAL A 35 -7.873 6.670 -0.093 1.00 0.00 C ATOM 0 H VAL A 35 -9.663 3.988 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.961 6.322 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.498 5.439 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.587 7.665 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.169 6.516 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.188 7.892 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.910 7.170 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.666 7.341 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.880 5.769 0.521 1.00 0.00 H new ATOM 522 N ASN A 36 -10.171 3.974 -3.773 1.00 0.00 N ATOM 523 CA ASN A 36 -10.014 2.944 -4.797 1.00 0.00 C ATOM 524 C ASN A 36 -9.407 3.643 -6.037 1.00 0.00 C ATOM 525 O ASN A 36 -10.004 4.516 -6.655 1.00 0.00 O ATOM 526 CB ASN A 36 -11.344 2.210 -5.069 1.00 0.00 C ATOM 527 CG ASN A 36 -12.487 3.150 -5.493 1.00 0.00 C ATOM 528 OD1 ASN A 36 -12.672 3.446 -6.667 1.00 0.00 O ATOM 529 ND2 ASN A 36 -13.240 3.584 -4.466 1.00 0.00 N ATOM 0 H ASN A 36 -11.130 4.253 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.341 2.150 -4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.187 1.466 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.642 1.670 -4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.030 4.205 -4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.021 3.292 -3.514 1.00 0.00 H new ATOM 536 N ILE A 37 -8.167 3.187 -6.329 1.00 0.00 N ATOM 537 CA ILE A 37 -7.348 3.678 -7.431 1.00 0.00 C ATOM 538 C ILE A 37 -7.568 2.764 -8.654 1.00 0.00 C ATOM 539 O ILE A 37 -7.008 3.013 -9.715 1.00 0.00 O ATOM 540 CB ILE A 37 -5.842 3.739 -7.009 1.00 0.00 C ATOM 541 CG1 ILE A 37 -4.940 4.753 -7.752 1.00 0.00 C ATOM 542 CG2 ILE A 37 -5.457 2.480 -6.172 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.458 4.758 -7.306 1.00 0.00 C ATOM 0 H ILE A 37 -7.711 2.453 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.642 4.693 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.384 4.398 -6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.982 4.539 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.350 5.753 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.406 2.540 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.074 2.437 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.621 1.583 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.907 5.500 -7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.398 5.005 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.024 3.772 -7.474 1.00 0.00 H new ATOM 555 N GLY A 38 -8.395 1.704 -8.471 1.00 0.00 N ATOM 556 CA GLY A 38 -8.692 0.789 -9.567 1.00 0.00 C ATOM 557 C GLY A 38 -7.614 -0.291 -9.736 1.00 0.00 C ATOM 558 O GLY A 38 -7.415 -1.142 -8.878 1.00 0.00 O ATOM 0 H GLY A 38 -8.853 1.477 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.655 0.312 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.784 1.355 -10.494 1.00 0.00 H new ATOM 562 N VAL A 39 -6.945 -0.208 -10.907 1.00 0.00 N ATOM 563 CA VAL A 39 -5.897 -1.170 -11.222 1.00 0.00 C ATOM 564 C VAL A 39 -4.769 -0.466 -11.994 1.00 0.00 C ATOM 565 O VAL A 39 -4.328 -0.906 -13.049 1.00 0.00 O ATOM 566 CB VAL A 39 -6.515 -2.385 -12.003 1.00 0.00 C ATOM 567 CG1 VAL A 39 -7.103 -3.402 -10.972 1.00 0.00 C ATOM 568 CG2 VAL A 39 -7.021 -2.300 -13.465 1.00 0.00 C ATOM 0 H VAL A 39 -7.114 0.498 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.456 -1.572 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.703 -2.851 -12.562 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.535 -4.250 -11.503 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.308 -3.753 -10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.876 -2.913 -10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.402 -3.273 -13.775 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.819 -1.560 -13.532 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.199 -2.007 -14.118 1.00 0.00 H new ATOM 578 N LEU A 40 -4.324 0.648 -11.372 1.00 0.00 N ATOM 579 CA LEU A 40 -3.263 1.471 -11.931 1.00 0.00 C ATOM 580 C LEU A 40 -2.096 1.367 -10.944 1.00 0.00 C ATOM 581 O LEU A 40 -2.283 1.183 -9.746 1.00 0.00 O ATOM 582 CB LEU A 40 -3.732 2.931 -12.054 1.00 0.00 C ATOM 583 CG LEU A 40 -4.993 3.127 -12.957 1.00 0.00 C ATOM 584 CD1 LEU A 40 -5.561 4.558 -12.718 1.00 0.00 C ATOM 585 CD2 LEU A 40 -5.262 2.337 -14.258 1.00 0.00 C ATOM 0 H LEU A 40 -4.692 0.986 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.976 1.139 -12.929 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.950 3.316 -11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.915 3.530 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.715 2.367 -12.659 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.442 4.709 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.836 4.670 -11.669 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.803 5.298 -12.975 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.206 2.664 -14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.454 2.517 -14.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.316 1.272 -14.032 1.00 0.00 H new ATOM 597 N SER A 41 -0.886 1.503 -11.537 1.00 0.00 N ATOM 598 CA SER A 41 0.363 1.458 -10.782 1.00 0.00 C ATOM 599 C SER A 41 0.951 2.876 -10.849 1.00 0.00 C ATOM 600 O SER A 41 2.164 3.052 -10.839 1.00 0.00 O ATOM 601 CB SER A 41 1.348 0.416 -11.405 1.00 0.00 C ATOM 602 OG SER A 41 2.789 0.398 -11.037 1.00 0.00 O ATOM 0 H SER A 41 -0.762 1.645 -12.539 1.00 0.00 H new ATOM 0 HA SER A 41 0.194 1.149 -9.750 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.950 -0.573 -11.178 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.298 0.539 -12.487 1.00 0.00 H new ATOM 0 HG SER A 41 3.091 1.312 -10.854 1.00 0.00 H new ATOM 608 N SER A 42 0.038 3.879 -10.920 1.00 0.00 N ATOM 609 CA SER A 42 0.467 5.271 -10.966 1.00 0.00 C ATOM 610 C SER A 42 0.718 5.623 -9.493 1.00 0.00 C ATOM 611 O SER A 42 -0.188 5.932 -8.732 1.00 0.00 O ATOM 612 CB SER A 42 -0.585 6.149 -11.670 1.00 0.00 C ATOM 613 OG SER A 42 -1.854 5.953 -10.887 1.00 0.00 O ATOM 0 H SER A 42 -0.972 3.740 -10.945 1.00 0.00 H new ATOM 0 HA SER A 42 1.367 5.443 -11.557 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.284 7.196 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.714 5.850 -12.710 1.00 0.00 H new ATOM 0 HG SER A 42 -1.646 5.921 -9.930 1.00 0.00 H new ATOM 619 N GLN A 43 2.020 5.528 -9.155 1.00 0.00 N ATOM 620 CA GLN A 43 2.467 5.753 -7.797 1.00 0.00 C ATOM 621 C GLN A 43 2.798 7.231 -7.626 1.00 0.00 C ATOM 622 O GLN A 43 2.252 7.891 -6.757 1.00 0.00 O ATOM 623 CB GLN A 43 3.686 4.854 -7.517 1.00 0.00 C ATOM 624 CG GLN A 43 4.134 4.851 -6.047 1.00 0.00 C ATOM 625 CD GLN A 43 3.098 4.148 -5.158 1.00 0.00 C ATOM 626 OE1 GLN A 43 2.285 4.773 -4.490 1.00 0.00 O ATOM 627 NE2 GLN A 43 3.188 2.807 -5.201 1.00 0.00 N ATOM 0 H GLN A 43 2.765 5.297 -9.812 1.00 0.00 H new ATOM 0 HA GLN A 43 1.688 5.496 -7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.448 3.833 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.518 5.183 -8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.097 4.348 -5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.277 5.876 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.896 2.362 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.548 2.235 -4.650 1.00 0.00 H new ATOM 636 N GLU A 44 3.714 7.709 -8.493 1.00 0.00 N ATOM 637 CA GLU A 44 4.203 9.080 -8.446 1.00 0.00 C ATOM 638 C GLU A 44 3.070 10.078 -8.751 1.00 0.00 C ATOM 639 O GLU A 44 3.136 11.223 -8.321 1.00 0.00 O ATOM 640 CB GLU A 44 5.430 9.253 -9.373 1.00 0.00 C ATOM 641 CG GLU A 44 5.334 8.577 -10.759 1.00 0.00 C ATOM 642 CD GLU A 44 4.185 9.114 -11.631 1.00 0.00 C ATOM 643 OE1 GLU A 44 4.179 10.308 -11.931 1.00 0.00 O ATOM 644 OE2 GLU A 44 3.309 8.332 -12.002 1.00 0.00 O ATOM 0 H GLU A 44 4.127 7.149 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 44 4.543 9.302 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.600 10.319 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.307 8.859 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.276 8.718 -11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.203 7.504 -10.622 1.00 0.00 H new ATOM 651 N ASP A 45 2.031 9.627 -9.484 1.00 0.00 N ATOM 652 CA ASP A 45 0.953 10.547 -9.810 1.00 0.00 C ATOM 653 C ASP A 45 -0.052 10.490 -8.670 1.00 0.00 C ATOM 654 O ASP A 45 -0.680 11.493 -8.352 1.00 0.00 O ATOM 655 CB ASP A 45 0.316 10.165 -11.161 1.00 0.00 C ATOM 656 CG ASP A 45 -0.702 11.221 -11.631 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.284 12.226 -12.206 1.00 0.00 O ATOM 658 OD2 ASP A 45 -1.898 11.027 -11.417 1.00 0.00 O ATOM 0 H ASP A 45 1.927 8.677 -9.841 1.00 0.00 H new ATOM 0 HA ASP A 45 1.323 11.567 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.097 10.053 -11.913 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.179 9.198 -11.069 1.00 0.00 H new ATOM 663 N PHE A 46 -0.173 9.287 -8.063 1.00 0.00 N ATOM 664 CA PHE A 46 -1.125 9.167 -6.978 1.00 0.00 C ATOM 665 C PHE A 46 -0.434 9.544 -5.663 1.00 0.00 C ATOM 666 O PHE A 46 -1.048 9.461 -4.610 1.00 0.00 O ATOM 667 CB PHE A 46 -1.796 7.791 -6.961 1.00 0.00 C ATOM 668 CG PHE A 46 -3.184 7.907 -6.402 1.00 0.00 C ATOM 669 CD1 PHE A 46 -4.243 8.262 -7.234 1.00 0.00 C ATOM 670 CD2 PHE A 46 -3.420 7.707 -5.049 1.00 0.00 C ATOM 671 CE1 PHE A 46 -5.517 8.441 -6.714 1.00 0.00 C ATOM 672 CE2 PHE A 46 -4.689 7.887 -4.529 1.00 0.00 C ATOM 673 CZ PHE A 46 -5.740 8.258 -5.358 1.00 0.00 C ATOM 0 H PHE A 46 0.349 8.443 -8.299 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.948 9.867 -7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.834 7.383 -7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.209 7.098 -6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.071 8.399 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.610 7.410 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.333 8.722 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.863 7.738 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.728 8.403 -4.947 1.00 0.00 H new ATOM 683 N ILE A 47 0.853 9.961 -5.749 1.00 0.00 N ATOM 684 CA ILE A 47 1.556 10.407 -4.555 1.00 0.00 C ATOM 685 C ILE A 47 1.132 11.877 -4.425 1.00 0.00 C ATOM 686 O ILE A 47 0.997 12.404 -3.328 1.00 0.00 O ATOM 687 CB ILE A 47 3.099 10.135 -4.611 1.00 0.00 C ATOM 688 CG1 ILE A 47 3.620 9.041 -3.647 1.00 0.00 C ATOM 689 CG2 ILE A 47 3.876 11.359 -5.189 1.00 0.00 C ATOM 690 CD1 ILE A 47 2.870 7.692 -3.625 1.00 0.00 C ATOM 0 H ILE A 47 1.398 9.992 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 47 1.294 9.850 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 47 3.497 9.468 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.662 8.842 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.607 9.449 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.942 11.135 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.526 11.568 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.703 12.231 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.344 7.024 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.832 7.858 -3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.904 7.241 -4.617 1.00 0.00 H new ATOM 702 N ASN A 48 0.885 12.484 -5.623 1.00 0.00 N ATOM 703 CA ASN A 48 0.416 13.856 -5.664 1.00 0.00 C ATOM 704 C ASN A 48 -1.061 13.825 -5.194 1.00 0.00 C ATOM 705 O ASN A 48 -1.558 14.801 -4.643 1.00 0.00 O ATOM 706 CB ASN A 48 0.574 14.421 -7.088 1.00 0.00 C ATOM 707 CG ASN A 48 0.191 15.907 -7.152 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.863 16.279 -7.652 1.00 0.00 O ATOM 709 ND2 ASN A 48 1.117 16.721 -6.613 1.00 0.00 N ATOM 0 H ASN A 48 1.006 12.041 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 48 0.994 14.513 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.606 14.296 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.052 13.853 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.965 17.730 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.971 16.329 -6.216 1.00 0.00 H new ATOM 716 N ALA A 49 -1.727 12.659 -5.421 1.00 0.00 N ATOM 717 CA ALA A 49 -3.114 12.517 -5.006 1.00 0.00 C ATOM 718 C ALA A 49 -3.130 11.931 -3.585 1.00 0.00 C ATOM 719 O ALA A 49 -4.196 11.795 -3.007 1.00 0.00 O ATOM 720 CB ALA A 49 -3.890 11.609 -5.965 1.00 0.00 C ATOM 0 H ALA A 49 -1.325 11.839 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.600 13.493 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.923 11.522 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.870 12.037 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.430 10.621 -5.983 1.00 0.00 H new ATOM 726 N ALA A 50 -1.940 11.581 -3.041 1.00 0.00 N ATOM 727 CA ALA A 50 -1.868 11.036 -1.691 1.00 0.00 C ATOM 728 C ALA A 50 -1.773 12.221 -0.730 1.00 0.00 C ATOM 729 O ALA A 50 -1.844 12.035 0.474 1.00 0.00 O ATOM 730 CB ALA A 50 -0.679 10.084 -1.518 1.00 0.00 C ATOM 0 H ALA A 50 -1.041 11.669 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.757 10.441 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.664 9.702 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.775 9.252 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.249 10.620 -1.718 1.00 0.00 H new ATOM 736 N ILE A 51 -1.594 13.433 -1.298 1.00 0.00 N ATOM 737 CA ILE A 51 -1.566 14.642 -0.489 1.00 0.00 C ATOM 738 C ILE A 51 -3.048 15.051 -0.379 1.00 0.00 C ATOM 739 O ILE A 51 -3.532 15.460 0.670 1.00 0.00 O ATOM 740 CB ILE A 51 -0.714 15.756 -1.181 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.461 15.275 -2.054 1.00 0.00 C ATOM 742 CG2 ILE A 51 -0.841 17.084 -0.366 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.363 16.372 -2.657 1.00 0.00 C ATOM 0 H ILE A 51 -1.470 13.586 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.107 14.487 0.487 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.041 16.175 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.084 14.613 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.057 14.678 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.248 17.863 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.886 17.392 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.477 16.924 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.152 15.909 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.766 17.024 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.809 16.958 -1.854 1.00 0.00 H new ATOM 755 N GLU A 52 -3.718 14.881 -1.544 1.00 0.00 N ATOM 756 CA GLU A 52 -5.118 15.189 -1.755 1.00 0.00 C ATOM 757 C GLU A 52 -5.977 14.358 -0.787 1.00 0.00 C ATOM 758 O GLU A 52 -6.653 14.920 0.066 1.00 0.00 O ATOM 759 CB GLU A 52 -5.472 14.967 -3.243 1.00 0.00 C ATOM 760 CG GLU A 52 -6.937 15.254 -3.624 1.00 0.00 C ATOM 761 CD GLU A 52 -7.892 14.111 -3.219 1.00 0.00 C ATOM 762 OE1 GLU A 52 -7.716 12.994 -3.708 1.00 0.00 O ATOM 763 OE2 GLU A 52 -8.797 14.348 -2.419 1.00 0.00 O ATOM 0 H GLU A 52 -3.266 14.512 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.327 16.236 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.826 15.600 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.242 13.934 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.259 16.178 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.004 15.414 -4.700 1.00 0.00 H new ATOM 770 N THR A 53 -5.936 13.010 -0.953 1.00 0.00 N ATOM 771 CA THR A 53 -6.751 12.138 -0.130 1.00 0.00 C ATOM 772 C THR A 53 -6.172 12.137 1.277 1.00 0.00 C ATOM 773 O THR A 53 -6.831 12.532 2.230 1.00 0.00 O ATOM 774 CB THR A 53 -6.946 10.699 -0.732 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.023 10.262 -1.776 1.00 0.00 O ATOM 776 CG2 THR A 53 -8.448 10.448 -1.065 1.00 0.00 C ATOM 0 H THR A 53 -5.354 12.531 -1.640 1.00 0.00 H new ATOM 0 HA THR A 53 -7.768 12.529 -0.098 1.00 0.00 H new ATOM 0 HB THR A 53 -6.640 10.029 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.748 11.034 -2.313 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.566 9.447 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.042 10.535 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.788 11.186 -1.792 1.00 0.00 H new ATOM 784 N LYS A 54 -4.916 11.654 1.304 1.00 0.00 N ATOM 785 CA LYS A 54 -4.084 11.485 2.494 1.00 0.00 C ATOM 786 C LYS A 54 -3.936 9.972 2.657 1.00 0.00 C ATOM 787 O LYS A 54 -4.075 9.445 3.748 1.00 0.00 O ATOM 788 CB LYS A 54 -4.616 12.170 3.773 1.00 0.00 C ATOM 789 CG LYS A 54 -3.613 12.162 4.935 1.00 0.00 C ATOM 790 CD LYS A 54 -4.045 13.026 6.123 1.00 0.00 C ATOM 791 CE LYS A 54 -3.799 14.531 5.936 1.00 0.00 C ATOM 792 NZ LYS A 54 -4.786 15.197 5.095 1.00 0.00 N ATOM 0 H LYS A 54 -4.438 11.359 0.453 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.128 11.989 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.881 13.201 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.531 11.669 4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.472 11.136 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.647 12.514 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.107 12.864 6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.512 12.691 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.789 15.011 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.810 14.675 5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.950 16.161 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.435 15.243 4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.678 14.663 5.118 1.00 0.00 H new ATOM 805 N ALA A 55 -3.640 9.303 1.513 1.00 0.00 N ATOM 806 CA ALA A 55 -3.482 7.855 1.442 1.00 0.00 C ATOM 807 C ALA A 55 -2.465 7.446 2.524 1.00 0.00 C ATOM 808 O ALA A 55 -1.286 7.774 2.450 1.00 0.00 O ATOM 809 CB ALA A 55 -3.042 7.452 0.027 1.00 0.00 C ATOM 0 H ALA A 55 -3.506 9.770 0.616 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.421 7.335 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.925 6.369 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.797 7.769 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.092 7.931 -0.209 1.00 0.00 H new ATOM 815 N ASP A 56 -3.013 6.723 3.534 1.00 0.00 N ATOM 816 CA ASP A 56 -2.220 6.282 4.669 1.00 0.00 C ATOM 817 C ASP A 56 -1.692 4.890 4.322 1.00 0.00 C ATOM 818 O ASP A 56 -0.552 4.747 3.895 1.00 0.00 O ATOM 819 CB ASP A 56 -3.060 6.301 5.974 1.00 0.00 C ATOM 820 CG ASP A 56 -2.902 7.607 6.769 1.00 0.00 C ATOM 821 OD1 ASP A 56 -3.178 8.672 6.225 1.00 0.00 O ATOM 822 OD2 ASP A 56 -2.512 7.542 7.934 1.00 0.00 O ATOM 0 H ASP A 56 -3.993 6.444 3.570 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.383 6.954 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.112 6.158 5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.764 5.461 6.603 1.00 0.00 H new ATOM 827 N LEU A 57 -2.570 3.879 4.534 1.00 0.00 N ATOM 828 CA LEU A 57 -2.155 2.503 4.297 1.00 0.00 C ATOM 829 C LEU A 57 -2.502 2.138 2.854 1.00 0.00 C ATOM 830 O LEU A 57 -3.610 2.351 2.380 1.00 0.00 O ATOM 831 CB LEU A 57 -2.747 1.543 5.346 1.00 0.00 C ATOM 832 CG LEU A 57 -4.309 1.491 5.415 1.00 0.00 C ATOM 833 CD1 LEU A 57 -4.781 0.030 5.144 1.00 0.00 C ATOM 834 CD2 LEU A 57 -5.142 2.489 6.251 1.00 0.00 C ATOM 0 H LEU A 57 -3.531 3.996 4.856 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.076 2.404 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.377 0.538 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.368 1.828 6.327 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.695 2.127 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.869 -0.015 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.446 -0.283 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.358 -0.635 5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.202 2.257 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.857 2.411 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.955 3.503 5.899 1.00 0.00 H new ATOM 846 N ILE A 58 -1.465 1.570 2.191 1.00 0.00 N ATOM 847 CA ILE A 58 -1.620 1.147 0.804 1.00 0.00 C ATOM 848 C ILE A 58 -2.039 -0.325 0.848 1.00 0.00 C ATOM 849 O ILE A 58 -1.886 -1.014 1.850 1.00 0.00 O ATOM 850 CB ILE A 58 -0.318 1.438 -0.024 1.00 0.00 C ATOM 851 CG1 ILE A 58 -0.371 2.714 -0.894 1.00 0.00 C ATOM 852 CG2 ILE A 58 0.552 0.153 -0.230 1.00 0.00 C ATOM 853 CD1 ILE A 58 0.901 3.124 -1.667 1.00 0.00 C ATOM 0 H ILE A 58 -0.542 1.403 2.592 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.389 1.712 0.278 1.00 0.00 H new ATOM 0 HB ILE A 58 0.533 1.937 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.175 2.589 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.650 3.546 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.441 0.404 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.850 -0.244 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.029 -0.598 -0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.706 4.037 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.714 3.298 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.181 2.327 -2.355 1.00 0.00 H new ATOM 865 N CYS A 59 -2.579 -0.747 -0.316 1.00 0.00 N ATOM 866 CA CYS A 59 -3.018 -2.121 -0.453 1.00 0.00 C ATOM 867 C CYS A 59 -3.009 -2.412 -1.962 1.00 0.00 C ATOM 868 O CYS A 59 -3.873 -1.976 -2.713 1.00 0.00 O ATOM 869 CB CYS A 59 -4.389 -2.326 0.214 1.00 0.00 C ATOM 870 SG CYS A 59 -4.822 -4.069 0.353 1.00 0.00 S ATOM 0 H CYS A 59 -2.712 -0.164 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.362 -2.826 0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.380 -1.875 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.154 -1.808 -0.364 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.075 -4.549 -0.828 1.00 0.00 H new ATOM 876 N VAL A 60 -1.959 -3.180 -2.341 1.00 0.00 N ATOM 877 CA VAL A 60 -1.729 -3.612 -3.711 1.00 0.00 C ATOM 878 C VAL A 60 -1.990 -5.112 -3.705 1.00 0.00 C ATOM 879 O VAL A 60 -1.474 -5.817 -2.845 1.00 0.00 O ATOM 880 CB VAL A 60 -0.299 -3.218 -4.212 1.00 0.00 C ATOM 881 CG1 VAL A 60 0.795 -3.568 -3.160 1.00 0.00 C ATOM 882 CG2 VAL A 60 0.092 -2.720 -5.639 1.00 0.00 C ATOM 0 H VAL A 60 -1.250 -3.512 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.391 -3.117 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.536 -2.273 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.774 -3.280 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.595 -3.029 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.783 -4.640 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.164 -2.527 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.165 -3.483 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.450 -1.802 -5.865 1.00 0.00 H new ATOM 892 N SER A 61 -2.831 -5.560 -4.674 1.00 0.00 N ATOM 893 CA SER A 61 -3.150 -6.987 -4.682 1.00 0.00 C ATOM 894 C SER A 61 -2.631 -7.601 -5.987 1.00 0.00 C ATOM 895 O SER A 61 -3.124 -7.348 -7.081 1.00 0.00 O ATOM 896 CB SER A 61 -4.680 -7.248 -4.487 1.00 0.00 C ATOM 897 OG SER A 61 -5.385 -8.178 -5.403 1.00 0.00 O ATOM 0 H SER A 61 -3.265 -4.994 -5.403 1.00 0.00 H new ATOM 0 HA SER A 61 -2.656 -7.466 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.821 -7.620 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.186 -6.284 -4.547 1.00 0.00 H new ATOM 0 HG SER A 61 -5.900 -8.826 -4.878 1.00 0.00 H new ATOM 903 N SER A 62 -1.597 -8.439 -5.757 1.00 0.00 N ATOM 904 CA SER A 62 -0.897 -9.228 -6.776 1.00 0.00 C ATOM 905 C SER A 62 0.552 -9.261 -6.305 1.00 0.00 C ATOM 906 O SER A 62 0.926 -8.601 -5.344 1.00 0.00 O ATOM 907 CB SER A 62 -1.004 -8.702 -8.246 1.00 0.00 C ATOM 908 OG SER A 62 -0.150 -9.244 -9.333 1.00 0.00 O ATOM 0 H SER A 62 -1.219 -8.585 -4.821 1.00 0.00 H new ATOM 0 HA SER A 62 -1.364 -10.210 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.039 -8.843 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.826 -7.627 -8.211 1.00 0.00 H new ATOM 0 HG SER A 62 -0.249 -8.688 -10.134 1.00 0.00 H new ATOM 914 N LEU A 63 1.349 -10.061 -7.051 1.00 0.00 N ATOM 915 CA LEU A 63 2.760 -10.241 -6.782 1.00 0.00 C ATOM 916 C LEU A 63 3.430 -8.926 -7.221 1.00 0.00 C ATOM 917 O LEU A 63 2.999 -7.850 -6.826 1.00 0.00 O ATOM 918 CB LEU A 63 3.293 -11.507 -7.492 1.00 0.00 C ATOM 919 CG LEU A 63 2.392 -12.768 -7.300 1.00 0.00 C ATOM 920 CD1 LEU A 63 2.750 -13.806 -8.402 1.00 0.00 C ATOM 921 CD2 LEU A 63 1.613 -13.056 -5.989 1.00 0.00 C ATOM 0 H LEU A 63 1.013 -10.593 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 63 2.980 -10.422 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.389 -11.300 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.293 -11.727 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 63 1.315 -12.608 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.129 -14.693 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.572 -13.369 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.800 -14.084 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.058 -13.988 -6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.315 -13.142 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.918 -12.240 -5.792 1.00 0.00 H new ATOM 933 N TYR A 64 4.493 -9.049 -8.051 1.00 0.00 N ATOM 934 CA TYR A 64 5.194 -7.889 -8.556 1.00 0.00 C ATOM 935 C TYR A 64 4.356 -7.418 -9.757 1.00 0.00 C ATOM 936 O TYR A 64 4.644 -7.698 -10.915 1.00 0.00 O ATOM 937 CB TYR A 64 6.660 -8.226 -8.915 1.00 0.00 C ATOM 938 CG TYR A 64 7.641 -7.517 -8.014 1.00 0.00 C ATOM 939 CD1 TYR A 64 7.884 -6.158 -8.172 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.322 -8.205 -7.018 1.00 0.00 C ATOM 941 CE1 TYR A 64 8.788 -5.494 -7.355 1.00 0.00 C ATOM 942 CE2 TYR A 64 9.229 -7.556 -6.191 1.00 0.00 C ATOM 943 CZ TYR A 64 9.467 -6.184 -6.343 1.00 0.00 C ATOM 944 OH TYR A 64 10.376 -5.526 -5.518 1.00 0.00 O ATOM 0 H TYR A 64 4.867 -9.942 -8.372 1.00 0.00 H new ATOM 0 HA TYR A 64 5.285 -7.094 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.813 -9.303 -8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.853 -7.947 -9.951 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.361 -5.610 -8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.143 -9.262 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.969 -4.439 -7.500 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.753 -8.111 -5.427 1.00 0.00 H new ATOM 0 HH TYR A 64 9.927 -4.784 -5.063 1.00 0.00 H new ATOM 954 N GLY A 65 3.293 -6.689 -9.364 1.00 0.00 N ATOM 955 CA GLY A 65 2.316 -6.107 -10.264 1.00 0.00 C ATOM 956 C GLY A 65 2.176 -4.635 -9.892 1.00 0.00 C ATOM 957 O GLY A 65 1.099 -4.124 -9.614 1.00 0.00 O ATOM 0 H GLY A 65 3.098 -6.492 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.637 -6.212 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.358 -6.619 -10.174 1.00 0.00 H new ATOM 961 N GLN A 66 3.367 -4.008 -9.886 1.00 0.00 N ATOM 962 CA GLN A 66 3.465 -2.601 -9.551 1.00 0.00 C ATOM 963 C GLN A 66 4.861 -2.113 -9.986 1.00 0.00 C ATOM 964 O GLN A 66 5.091 -0.923 -10.163 1.00 0.00 O ATOM 965 CB GLN A 66 3.193 -2.357 -8.048 1.00 0.00 C ATOM 966 CG GLN A 66 4.220 -3.037 -7.117 1.00 0.00 C ATOM 967 CD GLN A 66 4.142 -2.521 -5.670 1.00 0.00 C ATOM 968 OE1 GLN A 66 3.266 -1.753 -5.294 1.00 0.00 O ATOM 969 NE2 GLN A 66 5.136 -2.988 -4.894 1.00 0.00 N ATOM 0 H GLN A 66 4.255 -4.458 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 66 2.702 -2.029 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.195 -1.284 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.196 -2.722 -7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.053 -4.114 -7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.224 -2.868 -7.505 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.830 -3.627 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.196 -2.703 -3.916 1.00 0.00 H new ATOM 978 N GLY A 67 5.775 -3.094 -10.138 1.00 0.00 N ATOM 979 CA GLY A 67 7.147 -2.822 -10.533 1.00 0.00 C ATOM 980 C GLY A 67 7.975 -2.392 -9.319 1.00 0.00 C ATOM 981 O GLY A 67 7.472 -2.251 -8.211 1.00 0.00 O ATOM 0 H GLY A 67 5.573 -4.083 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.586 -3.712 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.166 -2.038 -11.290 1.00 0.00 H new ATOM 985 N GLU A 68 9.278 -2.182 -9.610 1.00 0.00 N ATOM 986 CA GLU A 68 10.208 -1.763 -8.572 1.00 0.00 C ATOM 987 C GLU A 68 10.162 -0.220 -8.480 1.00 0.00 C ATOM 988 O GLU A 68 10.976 0.387 -7.795 1.00 0.00 O ATOM 989 CB GLU A 68 11.621 -2.285 -8.878 1.00 0.00 C ATOM 990 CG GLU A 68 11.723 -3.809 -8.707 1.00 0.00 C ATOM 991 CD GLU A 68 13.149 -4.300 -9.004 1.00 0.00 C ATOM 992 OE1 GLU A 68 13.467 -4.514 -10.174 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.926 -4.466 -8.063 1.00 0.00 O ATOM 0 H GLU A 68 9.690 -2.296 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 68 9.924 -2.182 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.893 -2.016 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.338 -1.798 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.444 -4.084 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.018 -4.302 -9.376 1.00 0.00 H new ATOM 1000 N ILE A 69 9.176 0.377 -9.191 1.00 0.00 N ATOM 1001 CA ILE A 69 8.968 1.815 -9.223 1.00 0.00 C ATOM 1002 C ILE A 69 8.118 2.109 -7.984 1.00 0.00 C ATOM 1003 O ILE A 69 8.436 2.960 -7.165 1.00 0.00 O ATOM 1004 CB ILE A 69 8.263 2.261 -10.554 1.00 0.00 C ATOM 1005 CG1 ILE A 69 8.196 1.171 -11.697 1.00 0.00 C ATOM 1006 CG2 ILE A 69 7.477 3.606 -10.333 1.00 0.00 C ATOM 1007 CD1 ILE A 69 9.599 0.920 -12.265 1.00 0.00 C ATOM 0 H ILE A 69 8.506 -0.144 -9.757 1.00 0.00 H new ATOM 0 HA ILE A 69 9.904 2.373 -9.206 1.00 0.00 H new ATOM 0 HB ILE A 69 8.596 2.685 -11.501 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.783 0.243 -11.302 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.528 1.505 -12.491 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.994 3.902 -11.264 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.721 3.463 -9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.171 4.386 -10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.544 0.168 -13.052 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.996 1.848 -12.677 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.255 0.566 -11.470 1.00 0.00 H new ATOM 1019 N ASP A 70 7.024 1.323 -7.916 1.00 0.00 N ATOM 1020 CA ASP A 70 6.046 1.426 -6.851 1.00 0.00 C ATOM 1021 C ASP A 70 6.662 0.856 -5.568 1.00 0.00 C ATOM 1022 O ASP A 70 6.299 1.268 -4.473 1.00 0.00 O ATOM 1023 CB ASP A 70 4.785 0.644 -7.255 1.00 0.00 C ATOM 1024 CG ASP A 70 3.958 1.369 -8.330 1.00 0.00 C ATOM 1025 OD1 ASP A 70 4.544 1.980 -9.225 1.00 0.00 O ATOM 1026 OD2 ASP A 70 2.730 1.323 -8.257 1.00 0.00 O ATOM 0 H ASP A 70 6.808 0.603 -8.606 1.00 0.00 H new ATOM 0 HA ASP A 70 5.766 2.465 -6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.075 -0.339 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.165 0.481 -6.373 1.00 0.00 H new ATOM 1031 N CYS A 71 7.610 -0.092 -5.752 1.00 0.00 N ATOM 1032 CA CYS A 71 8.263 -0.721 -4.616 1.00 0.00 C ATOM 1033 C CYS A 71 9.133 0.351 -3.948 1.00 0.00 C ATOM 1034 O CYS A 71 8.952 0.656 -2.777 1.00 0.00 O ATOM 1035 CB CYS A 71 9.061 -1.947 -5.074 1.00 0.00 C ATOM 1036 SG CYS A 71 9.535 -3.046 -3.717 1.00 0.00 S ATOM 0 H CYS A 71 7.925 -0.423 -6.664 1.00 0.00 H new ATOM 0 HA CYS A 71 7.543 -1.095 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.468 -2.508 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.960 -1.613 -5.592 1.00 0.00 H new ATOM 0 HG CYS A 71 10.780 -2.839 -3.405 1.00 0.00 H new ATOM 1042 N LYS A 72 10.055 0.926 -4.765 1.00 0.00 N ATOM 1043 CA LYS A 72 10.955 1.967 -4.275 1.00 0.00 C ATOM 1044 C LYS A 72 10.298 3.338 -4.489 1.00 0.00 C ATOM 1045 O LYS A 72 10.969 4.351 -4.630 1.00 0.00 O ATOM 1046 CB LYS A 72 12.331 1.880 -4.963 1.00 0.00 C ATOM 1047 CG LYS A 72 13.174 0.697 -4.474 1.00 0.00 C ATOM 1048 CD LYS A 72 14.506 0.583 -5.235 1.00 0.00 C ATOM 1049 CE LYS A 72 14.385 -0.231 -6.528 1.00 0.00 C ATOM 1050 NZ LYS A 72 14.173 -1.651 -6.275 1.00 0.00 N ATOM 0 H LYS A 72 10.182 0.682 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 72 11.130 1.824 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.187 1.795 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.878 2.806 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.374 0.811 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.607 -0.226 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.869 1.583 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.250 0.119 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.557 0.157 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.290 -0.102 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.333 -2.187 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.837 -1.976 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.197 -1.804 -5.949 1.00 0.00 H new ATOM 1063 N GLY A 73 8.961 3.310 -4.485 1.00 0.00 N ATOM 1064 CA GLY A 73 8.136 4.495 -4.645 1.00 0.00 C ATOM 1065 C GLY A 73 7.630 4.946 -3.276 1.00 0.00 C ATOM 1066 O GLY A 73 7.412 6.124 -3.031 1.00 0.00 O ATOM 0 H GLY A 73 8.423 2.451 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.712 5.293 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.295 4.280 -5.304 1.00 0.00 H new ATOM 1070 N LEU A 74 7.473 3.915 -2.413 1.00 0.00 N ATOM 1071 CA LEU A 74 7.002 4.087 -1.052 1.00 0.00 C ATOM 1072 C LEU A 74 8.234 4.309 -0.171 1.00 0.00 C ATOM 1073 O LEU A 74 8.174 4.990 0.847 1.00 0.00 O ATOM 1074 CB LEU A 74 6.200 2.847 -0.624 1.00 0.00 C ATOM 1075 CG LEU A 74 5.218 2.368 -1.765 1.00 0.00 C ATOM 1076 CD1 LEU A 74 4.361 1.071 -2.041 1.00 0.00 C ATOM 1077 CD2 LEU A 74 4.267 3.560 -2.001 1.00 0.00 C ATOM 0 H LEU A 74 7.674 2.946 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 74 6.334 4.944 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.886 2.039 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.629 3.075 0.276 1.00 0.00 H new ATOM 0 HG LEU A 74 6.039 1.980 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.820 1.186 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.021 0.206 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.650 0.925 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.552 3.305 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.732 3.786 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.845 4.431 -2.308 1.00 0.00 H new ATOM 1089 N ARG A 75 9.354 3.697 -0.617 1.00 0.00 N ATOM 1090 CA ARG A 75 10.610 3.845 0.102 1.00 0.00 C ATOM 1091 C ARG A 75 11.059 5.298 -0.150 1.00 0.00 C ATOM 1092 O ARG A 75 11.668 5.933 0.702 1.00 0.00 O ATOM 1093 CB ARG A 75 11.649 2.820 -0.395 1.00 0.00 C ATOM 1094 CG ARG A 75 11.127 1.375 -0.409 1.00 0.00 C ATOM 1095 CD ARG A 75 10.967 0.714 0.974 1.00 0.00 C ATOM 1096 NE ARG A 75 9.913 -0.304 1.017 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.696 -1.270 0.088 1.00 0.00 C ATOM 1098 NH1 ARG A 75 10.469 -1.419 -0.981 1.00 0.00 N ATOM 1099 NH2 ARG A 75 8.678 -2.108 0.248 1.00 0.00 N ATOM 0 H ARG A 75 9.401 3.113 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 75 10.499 3.653 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.965 3.094 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.532 2.873 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.161 1.361 -0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.807 0.767 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.914 0.257 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.747 1.485 1.713 1.00 0.00 H new ATOM 0 HE ARG A 75 9.284 -0.285 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.261 -0.794 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.270 -2.158 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.069 -2.022 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.505 -2.838 -0.443 1.00 0.00 H new ATOM 1113 N GLU A 76 10.684 5.778 -1.364 1.00 0.00 N ATOM 1114 CA GLU A 76 10.980 7.126 -1.804 1.00 0.00 C ATOM 1115 C GLU A 76 10.028 8.087 -1.069 1.00 0.00 C ATOM 1116 O GLU A 76 10.408 9.212 -0.782 1.00 0.00 O ATOM 1117 CB GLU A 76 10.826 7.225 -3.331 1.00 0.00 C ATOM 1118 CG GLU A 76 11.066 8.638 -3.886 1.00 0.00 C ATOM 1119 CD GLU A 76 10.952 8.640 -5.420 1.00 0.00 C ATOM 1120 OE1 GLU A 76 9.837 8.757 -5.927 1.00 0.00 O ATOM 1121 OE2 GLU A 76 11.978 8.525 -6.089 1.00 0.00 O ATOM 0 H GLU A 76 10.169 5.225 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 76 12.009 7.396 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.525 6.535 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.823 6.901 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.340 9.331 -3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.054 8.989 -3.588 1.00 0.00 H new ATOM 1128 N LYS A 77 8.799 7.595 -0.769 1.00 0.00 N ATOM 1129 CA LYS A 77 7.761 8.363 -0.099 1.00 0.00 C ATOM 1130 C LYS A 77 8.142 8.573 1.388 1.00 0.00 C ATOM 1131 O LYS A 77 7.564 9.414 2.066 1.00 0.00 O ATOM 1132 CB LYS A 77 6.443 7.563 -0.205 1.00 0.00 C ATOM 1133 CG LYS A 77 5.164 8.325 0.148 1.00 0.00 C ATOM 1134 CD LYS A 77 3.962 7.382 0.293 1.00 0.00 C ATOM 1135 CE LYS A 77 2.662 8.126 0.608 1.00 0.00 C ATOM 1136 NZ LYS A 77 2.118 8.837 -0.538 1.00 0.00 N ATOM 0 H LYS A 77 8.515 6.642 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 77 7.646 9.343 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.349 7.189 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.516 6.693 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.312 8.872 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.955 9.064 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.837 6.815 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.164 6.661 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.921 7.413 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.843 8.836 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.398 9.515 -0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.882 9.348 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.684 8.157 -1.194 1.00 0.00 H new ATOM 1149 N CYS A 78 9.118 7.767 1.865 1.00 0.00 N ATOM 1150 CA CYS A 78 9.547 7.804 3.255 1.00 0.00 C ATOM 1151 C CYS A 78 10.662 8.796 3.375 1.00 0.00 C ATOM 1152 O CYS A 78 10.689 9.674 4.229 1.00 0.00 O ATOM 1153 CB CYS A 78 9.891 6.401 3.775 1.00 0.00 C ATOM 1154 SG CYS A 78 10.439 6.407 5.499 1.00 0.00 S ATOM 0 H CYS A 78 9.617 7.085 1.293 1.00 0.00 H new ATOM 0 HA CYS A 78 8.735 8.137 3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.016 5.758 3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 78 10.674 5.969 3.151 1.00 0.00 H new ATOM 0 HG CYS A 78 10.506 5.185 5.937 1.00 0.00 H new ATOM 1160 N ASP A 79 11.562 8.579 2.417 1.00 0.00 N ATOM 1161 CA ASP A 79 12.742 9.394 2.264 1.00 0.00 C ATOM 1162 C ASP A 79 12.358 10.729 1.613 1.00 0.00 C ATOM 1163 O ASP A 79 13.203 11.572 1.339 1.00 0.00 O ATOM 1164 CB ASP A 79 13.971 8.662 1.684 1.00 0.00 C ATOM 1165 CG ASP A 79 13.864 8.285 0.195 1.00 0.00 C ATOM 1166 OD1 ASP A 79 13.546 9.151 -0.621 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.122 7.129 -0.138 1.00 0.00 O ATOM 0 H ASP A 79 11.483 7.829 1.730 1.00 0.00 H new ATOM 0 HA ASP A 79 13.130 9.635 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.849 9.294 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.139 7.753 2.262 1.00 0.00 H new ATOM 1172 N GLU A 80 11.035 10.867 1.409 1.00 0.00 N ATOM 1173 CA GLU A 80 10.435 12.064 0.879 1.00 0.00 C ATOM 1174 C GLU A 80 10.333 12.984 2.089 1.00 0.00 C ATOM 1175 O GLU A 80 10.806 14.114 2.099 1.00 0.00 O ATOM 1176 CB GLU A 80 9.039 11.855 0.254 1.00 0.00 C ATOM 1177 CG GLU A 80 8.408 13.162 -0.257 1.00 0.00 C ATOM 1178 CD GLU A 80 9.145 13.695 -1.496 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.866 13.219 -2.596 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.988 14.580 -1.348 1.00 0.00 O ATOM 0 H GLU A 80 10.361 10.130 1.616 1.00 0.00 H new ATOM 0 HA GLU A 80 11.036 12.457 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.119 11.149 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.379 11.405 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.360 12.990 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.432 13.912 0.533 1.00 0.00 H new ATOM 1187 N ALA A 81 9.661 12.381 3.097 1.00 0.00 N ATOM 1188 CA ALA A 81 9.396 13.017 4.382 1.00 0.00 C ATOM 1189 C ALA A 81 8.523 14.258 4.111 1.00 0.00 C ATOM 1190 O ALA A 81 8.704 15.318 4.699 1.00 0.00 O ATOM 1191 CB ALA A 81 10.699 13.345 5.135 1.00 0.00 C ATOM 0 H ALA A 81 9.290 11.433 3.028 1.00 0.00 H new ATOM 0 HA ALA A 81 8.858 12.339 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.460 13.818 6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.256 12.426 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.305 14.024 4.535 1.00 0.00 H new ATOM 1197 N GLY A 82 7.575 14.038 3.176 1.00 0.00 N ATOM 1198 CA GLY A 82 6.619 15.045 2.736 1.00 0.00 C ATOM 1199 C GLY A 82 5.284 14.345 2.484 1.00 0.00 C ATOM 1200 O GLY A 82 4.227 14.769 2.937 1.00 0.00 O ATOM 0 H GLY A 82 7.460 13.140 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.506 15.821 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.971 15.534 1.828 1.00 0.00 H new ATOM 1204 N LEU A 83 5.432 13.230 1.736 1.00 0.00 N ATOM 1205 CA LEU A 83 4.317 12.365 1.400 1.00 0.00 C ATOM 1206 C LEU A 83 4.249 11.420 2.605 1.00 0.00 C ATOM 1207 O LEU A 83 5.209 10.729 2.926 1.00 0.00 O ATOM 1208 CB LEU A 83 4.620 11.612 0.100 1.00 0.00 C ATOM 1209 CG LEU A 83 4.778 12.536 -1.151 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.653 11.801 -2.213 1.00 0.00 C ATOM 1211 CD2 LEU A 83 3.791 13.674 -1.493 1.00 0.00 C ATOM 0 H LEU A 83 6.327 12.920 1.358 1.00 0.00 H new ATOM 0 HA LEU A 83 3.376 12.887 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.536 11.036 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.819 10.897 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 83 5.285 13.457 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.770 12.436 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.633 11.583 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.168 10.869 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.113 14.172 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.793 13.259 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.769 14.395 -0.676 1.00 0.00 H new ATOM 1223 N LYS A 84 3.066 11.448 3.252 1.00 0.00 N ATOM 1224 CA LYS A 84 2.860 10.655 4.453 1.00 0.00 C ATOM 1225 C LYS A 84 2.289 9.294 4.029 1.00 0.00 C ATOM 1226 O LYS A 84 1.248 9.190 3.392 1.00 0.00 O ATOM 1227 CB LYS A 84 1.982 11.441 5.445 1.00 0.00 C ATOM 1228 CG LYS A 84 0.498 11.583 5.050 1.00 0.00 C ATOM 1229 CD LYS A 84 -0.401 10.641 5.862 1.00 0.00 C ATOM 1230 CE LYS A 84 -0.611 11.159 7.290 1.00 0.00 C ATOM 1231 NZ LYS A 84 -1.235 10.179 8.163 1.00 0.00 N ATOM 0 H LYS A 84 2.261 12.003 2.961 1.00 0.00 H new ATOM 0 HA LYS A 84 3.790 10.458 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.036 10.952 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.405 12.438 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.178 12.613 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.383 11.369 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.366 10.539 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.047 9.648 5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.352 11.451 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.230 12.056 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.321 10.573 9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.181 9.943 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.651 9.319 8.193 1.00 0.00 H new ATOM 1244 N GLY A 85 3.061 8.262 4.434 1.00 0.00 N ATOM 1245 CA GLY A 85 2.689 6.888 4.135 1.00 0.00 C ATOM 1246 C GLY A 85 3.860 5.950 4.444 1.00 0.00 C ATOM 1247 O GLY A 85 4.578 5.501 3.558 1.00 0.00 O ATOM 0 H GLY A 85 3.929 8.365 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.818 6.602 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.408 6.799 3.086 1.00 0.00 H new ATOM 1251 N ILE A 86 3.984 5.689 5.764 1.00 0.00 N ATOM 1252 CA ILE A 86 5.020 4.813 6.300 1.00 0.00 C ATOM 1253 C ILE A 86 4.324 3.508 6.711 1.00 0.00 C ATOM 1254 O ILE A 86 4.697 2.864 7.684 1.00 0.00 O ATOM 1255 CB ILE A 86 5.748 5.455 7.514 1.00 0.00 C ATOM 1256 CG1 ILE A 86 7.244 5.841 7.172 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.684 6.107 8.480 1.00 0.00 C ATOM 1258 CD1 ILE A 86 8.071 6.363 8.366 1.00 0.00 C ATOM 0 H ILE A 86 3.367 6.083 6.475 1.00 0.00 H new ATOM 0 HA ILE A 86 5.788 4.633 5.548 1.00 0.00 H new ATOM 0 HB ILE A 86 6.181 4.919 8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.744 4.965 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.238 6.603 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.194 6.557 9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.127 6.875 7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.995 5.340 8.834 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.081 6.601 8.033 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.601 7.260 8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.115 5.597 9.140 1.00 0.00 H new ATOM 1270 N LYS A 87 3.288 3.167 5.918 1.00 0.00 N ATOM 1271 CA LYS A 87 2.516 1.964 6.129 1.00 0.00 C ATOM 1272 C LYS A 87 2.008 1.613 4.733 1.00 0.00 C ATOM 1273 O LYS A 87 1.217 2.316 4.116 1.00 0.00 O ATOM 1274 CB LYS A 87 1.395 2.133 7.169 1.00 0.00 C ATOM 1275 CG LYS A 87 0.504 3.378 7.008 1.00 0.00 C ATOM 1276 CD LYS A 87 1.040 4.611 7.749 1.00 0.00 C ATOM 1277 CE LYS A 87 0.128 5.825 7.573 1.00 0.00 C ATOM 1278 NZ LYS A 87 0.647 7.017 8.231 1.00 0.00 N ATOM 0 H LYS A 87 2.978 3.726 5.123 1.00 0.00 H new ATOM 0 HA LYS A 87 3.111 1.160 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.759 1.249 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.848 2.161 8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.409 3.613 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.497 3.149 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.138 4.382 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.038 4.850 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.001 6.028 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.859 5.594 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.117 7.480 8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.411 6.748 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.018 7.675 7.516 1.00 0.00 H new ATOM 1291 N LEU A 88 2.552 0.473 4.279 1.00 0.00 N ATOM 1292 CA LEU A 88 2.225 -0.044 2.968 1.00 0.00 C ATOM 1293 C LEU A 88 2.016 -1.524 3.219 1.00 0.00 C ATOM 1294 O LEU A 88 2.960 -2.245 3.513 1.00 0.00 O ATOM 1295 CB LEU A 88 3.399 0.193 2.000 1.00 0.00 C ATOM 1296 CG LEU A 88 3.950 1.645 2.056 1.00 0.00 C ATOM 1297 CD1 LEU A 88 3.000 2.622 1.313 1.00 0.00 C ATOM 1298 CD2 LEU A 88 5.171 2.091 2.910 1.00 0.00 C ATOM 0 H LEU A 88 3.215 -0.095 4.807 1.00 0.00 H new ATOM 0 HA LEU A 88 1.355 0.432 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.203 -0.504 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.074 -0.027 0.983 1.00 0.00 H new ATOM 0 HG LEU A 88 5.016 1.751 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.405 3.633 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.911 2.320 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.016 2.601 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.345 3.158 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.970 1.894 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.055 1.535 2.599 1.00 0.00 H new ATOM 1310 N PHE A 89 0.740 -1.946 3.084 1.00 0.00 N ATOM 1311 CA PHE A 89 0.435 -3.346 3.317 1.00 0.00 C ATOM 1312 C PHE A 89 0.373 -3.907 1.893 1.00 0.00 C ATOM 1313 O PHE A 89 -0.664 -4.012 1.247 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.853 -3.479 4.169 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.928 -4.714 5.047 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.018 -5.743 4.983 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.984 -4.849 5.948 1.00 0.00 C ATOM 1318 CE1 PHE A 89 -0.098 -6.873 5.780 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -2.074 -5.969 6.760 1.00 0.00 C ATOM 1320 CZ PHE A 89 -1.143 -6.987 6.676 1.00 0.00 C ATOM 0 H PHE A 89 -0.052 -1.357 2.826 1.00 0.00 H new ATOM 0 HA PHE A 89 1.159 -3.907 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.941 -2.597 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.713 -3.477 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.852 -5.656 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.736 -4.077 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.631 -7.666 5.699 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.884 -6.047 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.232 -7.861 7.304 1.00 0.00 H new ATOM 1330 N VAL A 90 1.591 -4.297 1.470 1.00 0.00 N ATOM 1331 CA VAL A 90 1.771 -4.780 0.117 1.00 0.00 C ATOM 1332 C VAL A 90 1.547 -6.293 0.064 1.00 0.00 C ATOM 1333 O VAL A 90 2.384 -7.144 0.341 1.00 0.00 O ATOM 1334 CB VAL A 90 3.173 -4.311 -0.409 1.00 0.00 C ATOM 1335 CG1 VAL A 90 3.202 -2.750 -0.399 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.515 -5.085 -0.405 1.00 0.00 C ATOM 0 H VAL A 90 2.436 -4.283 2.041 1.00 0.00 H new ATOM 0 HA VAL A 90 1.027 -4.355 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 90 3.197 -4.861 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.169 -2.402 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.413 -2.367 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.044 -2.390 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.294 -4.464 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.788 -5.335 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.408 -6.001 -0.986 1.00 0.00 H new ATOM 1346 N GLY A 91 0.284 -6.533 -0.319 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.202 -7.889 -0.502 1.00 0.00 C ATOM 1348 C GLY A 91 0.412 -8.510 -1.760 1.00 0.00 C ATOM 1349 O GLY A 91 -0.008 -8.246 -2.878 1.00 0.00 O ATOM 0 H GLY A 91 -0.407 -5.806 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.050 -8.493 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.289 -7.885 -0.584 1.00 0.00 H new ATOM 1353 N GLY A 92 1.431 -9.350 -1.474 1.00 0.00 N ATOM 1354 CA GLY A 92 2.185 -10.045 -2.505 1.00 0.00 C ATOM 1355 C GLY A 92 3.561 -9.384 -2.677 1.00 0.00 C ATOM 1356 O GLY A 92 4.433 -9.504 -1.825 1.00 0.00 O ATOM 0 H GLY A 92 1.741 -9.555 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.306 -11.094 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.639 -10.020 -3.448 1.00 0.00 H new ATOM 1360 N ASN A 93 3.685 -8.688 -3.835 1.00 0.00 N ATOM 1361 CA ASN A 93 4.897 -7.985 -4.241 1.00 0.00 C ATOM 1362 C ASN A 93 5.920 -9.095 -4.543 1.00 0.00 C ATOM 1363 O ASN A 93 5.781 -9.840 -5.505 1.00 0.00 O ATOM 1364 CB ASN A 93 5.319 -6.899 -3.221 1.00 0.00 C ATOM 1365 CG ASN A 93 6.447 -6.006 -3.767 1.00 0.00 C ATOM 1366 OD1 ASN A 93 6.569 -5.781 -4.964 1.00 0.00 O ATOM 1367 ND2 ASN A 93 7.257 -5.518 -2.810 1.00 0.00 N ATOM 0 H ASN A 93 2.927 -8.607 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 93 4.769 -7.378 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.456 -6.282 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.648 -7.376 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.039 -4.914 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.089 -5.752 -1.832 1.00 0.00 H new ATOM 1374 N ILE A 94 6.939 -9.170 -3.663 1.00 0.00 N ATOM 1375 CA ILE A 94 7.976 -10.181 -3.781 1.00 0.00 C ATOM 1376 C ILE A 94 7.337 -11.453 -3.206 1.00 0.00 C ATOM 1377 O ILE A 94 6.760 -11.455 -2.125 1.00 0.00 O ATOM 1378 CB ILE A 94 9.304 -9.756 -3.082 1.00 0.00 C ATOM 1379 CG1 ILE A 94 9.226 -8.454 -2.187 1.00 0.00 C ATOM 1380 CG2 ILE A 94 10.305 -10.967 -3.096 1.00 0.00 C ATOM 1381 CD1 ILE A 94 8.311 -8.410 -0.927 1.00 0.00 C ATOM 0 H ILE A 94 7.054 -8.539 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 94 8.293 -10.340 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 94 10.102 -9.090 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.240 -8.231 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.917 -7.636 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.235 -10.676 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.864 -11.809 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.511 -11.257 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.396 -7.434 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.276 -8.580 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.620 -9.185 -0.226 1.00 0.00 H new ATOM 1393 N VAL A 95 7.467 -12.514 -4.029 1.00 0.00 N ATOM 1394 CA VAL A 95 6.931 -13.827 -3.714 1.00 0.00 C ATOM 1395 C VAL A 95 8.011 -14.629 -2.974 1.00 0.00 C ATOM 1396 O VAL A 95 9.145 -14.195 -2.809 1.00 0.00 O ATOM 1397 CB VAL A 95 6.512 -14.494 -5.066 1.00 0.00 C ATOM 1398 CG1 VAL A 95 4.981 -14.295 -5.273 1.00 0.00 C ATOM 1399 CG2 VAL A 95 7.505 -14.711 -6.230 1.00 0.00 C ATOM 0 H VAL A 95 7.949 -12.470 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 95 6.057 -13.778 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 95 6.700 -15.566 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.678 -14.756 -6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.439 -14.760 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.753 -13.229 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.990 -15.190 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.902 -13.749 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.324 -15.348 -5.896 1.00 0.00 H new ATOM 1409 N VAL A 96 7.549 -15.829 -2.545 1.00 0.00 N ATOM 1410 CA VAL A 96 8.306 -16.834 -1.807 1.00 0.00 C ATOM 1411 C VAL A 96 9.201 -16.218 -0.715 1.00 0.00 C ATOM 1412 O VAL A 96 10.403 -16.042 -0.868 1.00 0.00 O ATOM 1413 CB VAL A 96 9.043 -17.824 -2.768 1.00 0.00 C ATOM 1414 CG1 VAL A 96 9.989 -17.083 -3.764 1.00 0.00 C ATOM 1415 CG2 VAL A 96 9.088 -19.372 -2.595 1.00 0.00 C ATOM 0 H VAL A 96 6.588 -16.124 -2.720 1.00 0.00 H new ATOM 0 HA VAL A 96 7.591 -17.445 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 96 8.224 -18.395 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.479 -17.811 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.407 -16.391 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.743 -16.529 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 96 9.669 -19.812 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.553 -19.618 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.074 -19.770 -2.618 1.00 0.00 H new ATOM 1425 N GLY A 97 8.504 -15.918 0.398 1.00 0.00 N ATOM 1426 CA GLY A 97 9.146 -15.327 1.560 1.00 0.00 C ATOM 1427 C GLY A 97 8.072 -14.767 2.494 1.00 0.00 C ATOM 1428 O GLY A 97 6.960 -14.461 2.079 1.00 0.00 O ATOM 0 H GLY A 97 7.502 -16.079 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.744 -16.075 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.826 -14.534 1.251 1.00 0.00 H new ATOM 1432 N LYS A 98 8.477 -14.668 3.776 1.00 0.00 N ATOM 1433 CA LYS A 98 7.587 -14.147 4.801 1.00 0.00 C ATOM 1434 C LYS A 98 8.501 -13.936 6.006 1.00 0.00 C ATOM 1435 O LYS A 98 8.741 -14.844 6.793 1.00 0.00 O ATOM 1436 CB LYS A 98 6.432 -15.125 5.101 1.00 0.00 C ATOM 1437 CG LYS A 98 5.401 -14.551 6.081 1.00 0.00 C ATOM 1438 CD LYS A 98 4.185 -15.472 6.249 1.00 0.00 C ATOM 1439 CE LYS A 98 3.123 -14.893 7.190 1.00 0.00 C ATOM 1440 NZ LYS A 98 2.482 -13.697 6.655 1.00 0.00 N ATOM 0 H LYS A 98 9.401 -14.940 4.110 1.00 0.00 H new ATOM 0 HA LYS A 98 7.088 -13.225 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.932 -15.386 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.842 -16.048 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.873 -14.394 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.069 -13.575 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.737 -15.655 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.517 -16.437 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.364 -15.651 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.585 -14.654 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.634 -13.477 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.145 -12.897 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.209 -13.863 5.665 1.00 0.00 H new ATOM 1453 N GLN A 99 8.993 -12.675 6.069 1.00 0.00 N ATOM 1454 CA GLN A 99 9.912 -12.166 7.085 1.00 0.00 C ATOM 1455 C GLN A 99 11.310 -12.304 6.465 1.00 0.00 C ATOM 1456 O GLN A 99 12.112 -11.379 6.485 1.00 0.00 O ATOM 1457 CB GLN A 99 9.785 -12.838 8.475 1.00 0.00 C ATOM 1458 CG GLN A 99 10.408 -12.031 9.629 1.00 0.00 C ATOM 1459 CD GLN A 99 11.935 -11.903 9.520 1.00 0.00 C ATOM 1460 OE1 GLN A 99 12.478 -10.819 9.344 1.00 0.00 O ATOM 1461 NE2 GLN A 99 12.582 -13.077 9.638 1.00 0.00 N ATOM 0 H GLN A 99 8.743 -11.966 5.380 1.00 0.00 H new ATOM 0 HA GLN A 99 9.675 -11.130 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.729 -13.002 8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.259 -13.819 8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.966 -11.035 9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.156 -12.509 10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.054 -13.938 9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.600 -13.106 9.582 1.00 0.00 H new ATOM 1470 N ASN A 100 11.546 -13.515 5.914 1.00 0.00 N ATOM 1471 CA ASN A 100 12.795 -13.846 5.259 1.00 0.00 C ATOM 1472 C ASN A 100 12.560 -13.432 3.806 1.00 0.00 C ATOM 1473 O ASN A 100 11.618 -13.879 3.161 1.00 0.00 O ATOM 1474 CB ASN A 100 13.118 -15.345 5.424 1.00 0.00 C ATOM 1475 CG ASN A 100 11.988 -16.270 4.927 1.00 0.00 C ATOM 1476 OD1 ASN A 100 10.967 -16.449 5.581 1.00 0.00 O ATOM 1477 ND2 ASN A 100 12.245 -16.840 3.736 1.00 0.00 N ATOM 0 H ASN A 100 10.867 -14.277 5.920 1.00 0.00 H new ATOM 0 HA ASN A 100 13.662 -13.338 5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.033 -15.575 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.313 -15.554 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.564 -17.473 3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.121 -16.640 3.253 1.00 0.00 H new ATOM 1484 N TRP A 101 13.459 -12.536 3.348 1.00 0.00 N ATOM 1485 CA TRP A 101 13.364 -12.024 1.993 1.00 0.00 C ATOM 1486 C TRP A 101 14.793 -12.056 1.439 1.00 0.00 C ATOM 1487 O TRP A 101 15.752 -12.113 2.200 1.00 0.00 O ATOM 1488 CB TRP A 101 12.854 -10.572 2.012 1.00 0.00 C ATOM 1489 CG TRP A 101 11.440 -10.522 2.545 1.00 0.00 C ATOM 1490 CD1 TRP A 101 11.039 -10.021 3.786 1.00 0.00 C ATOM 1491 CD2 TRP A 101 10.249 -10.984 1.884 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.697 -10.155 3.908 1.00 0.00 N ATOM 1493 CE2 TRP A 101 9.171 -10.742 2.764 1.00 0.00 C ATOM 1494 CE3 TRP A 101 10.025 -11.562 0.664 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 7.901 -11.087 2.393 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.734 -11.916 0.285 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.669 -11.677 1.150 1.00 0.00 C ATOM 0 H TRP A 101 14.238 -12.167 3.894 1.00 0.00 H new ATOM 0 HA TRP A 101 12.675 -12.614 1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.506 -9.958 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.886 -10.154 1.006 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.695 -9.594 4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 101 9.152 -9.867 4.721 1.00 0.00 H new ATOM 0 HE3 TRP A 101 10.852 -11.744 -0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 7.075 -10.902 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.558 -12.375 -0.677 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.665 -11.948 0.859 1.00 0.00 H new ATOM 1508 N PRO A 102 14.916 -12.011 0.073 1.00 0.00 N ATOM 1509 CA PRO A 102 16.224 -12.003 -0.583 1.00 0.00 C ATOM 1510 C PRO A 102 16.912 -10.646 -0.278 1.00 0.00 C ATOM 1511 O PRO A 102 16.678 -10.012 0.744 1.00 0.00 O ATOM 1512 CB PRO A 102 15.910 -12.216 -2.087 1.00 0.00 C ATOM 1513 CG PRO A 102 14.448 -12.652 -2.162 1.00 0.00 C ATOM 1514 CD PRO A 102 13.801 -12.158 -0.869 1.00 0.00 C ATOM 0 HA PRO A 102 16.913 -12.775 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.071 -11.298 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.564 -12.974 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.956 -12.223 -3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.367 -13.735 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.284 -11.211 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.062 -12.869 -0.500 1.00 0.00 H new ATOM 1522 N ASP A 103 17.739 -10.221 -1.260 1.00 0.00 N ATOM 1523 CA ASP A 103 18.503 -8.985 -1.174 1.00 0.00 C ATOM 1524 C ASP A 103 17.539 -7.798 -1.345 1.00 0.00 C ATOM 1525 O ASP A 103 17.844 -6.683 -0.938 1.00 0.00 O ATOM 1526 CB ASP A 103 19.634 -8.977 -2.225 1.00 0.00 C ATOM 1527 CG ASP A 103 19.105 -9.126 -3.668 1.00 0.00 C ATOM 1528 OD1 ASP A 103 18.978 -10.256 -4.139 1.00 0.00 O ATOM 1529 OD2 ASP A 103 18.828 -8.108 -4.303 1.00 0.00 O ATOM 0 H ASP A 103 17.886 -10.735 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 103 18.983 -8.902 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.195 -8.046 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 103 20.329 -9.789 -2.011 1.00 0.00 H new ATOM 1534 N VAL A 104 16.372 -8.099 -1.962 1.00 0.00 N ATOM 1535 CA VAL A 104 15.343 -7.101 -2.212 1.00 0.00 C ATOM 1536 C VAL A 104 14.894 -6.432 -0.914 1.00 0.00 C ATOM 1537 O VAL A 104 15.222 -5.274 -0.692 1.00 0.00 O ATOM 1538 CB VAL A 104 14.142 -7.668 -3.043 1.00 0.00 C ATOM 1539 CG1 VAL A 104 13.688 -9.068 -2.521 1.00 0.00 C ATOM 1540 CG2 VAL A 104 13.146 -6.778 -3.810 1.00 0.00 C ATOM 0 H VAL A 104 16.133 -9.034 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 104 15.791 -6.327 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 104 14.600 -7.784 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.853 -9.428 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.518 -9.771 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.375 -8.984 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.405 -7.405 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.645 -6.108 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.682 -6.190 -4.555 1.00 0.00 H new ATOM 1550 N GLU A 105 14.164 -7.189 -0.056 1.00 0.00 N ATOM 1551 CA GLU A 105 13.717 -6.559 1.175 1.00 0.00 C ATOM 1552 C GLU A 105 14.808 -6.741 2.235 1.00 0.00 C ATOM 1553 O GLU A 105 14.496 -6.667 3.409 1.00 0.00 O ATOM 1554 CB GLU A 105 12.359 -7.052 1.715 1.00 0.00 C ATOM 1555 CG GLU A 105 11.240 -7.245 0.675 1.00 0.00 C ATOM 1556 CD GLU A 105 10.620 -5.923 0.182 1.00 0.00 C ATOM 1557 OE1 GLU A 105 10.144 -5.148 1.012 1.00 0.00 O ATOM 1558 OE2 GLU A 105 10.600 -5.690 -1.026 1.00 0.00 O ATOM 0 H GLU A 105 13.896 -8.164 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 105 13.549 -5.508 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.518 -8.002 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.011 -6.341 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.640 -7.790 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.455 -7.865 1.109 1.00 0.00 H new ATOM 1565 N GLN A 106 16.078 -6.993 1.834 1.00 0.00 N ATOM 1566 CA GLN A 106 17.128 -7.085 2.848 1.00 0.00 C ATOM 1567 C GLN A 106 17.355 -5.631 3.307 1.00 0.00 C ATOM 1568 O GLN A 106 17.471 -5.324 4.488 1.00 0.00 O ATOM 1569 CB GLN A 106 18.417 -7.685 2.262 1.00 0.00 C ATOM 1570 CG GLN A 106 19.569 -7.770 3.275 1.00 0.00 C ATOM 1571 CD GLN A 106 20.805 -8.412 2.631 1.00 0.00 C ATOM 1572 OE1 GLN A 106 21.762 -7.741 2.266 1.00 0.00 O ATOM 1573 NE2 GLN A 106 20.715 -9.750 2.520 1.00 0.00 N ATOM 0 H GLN A 106 16.379 -7.128 0.869 1.00 0.00 H new ATOM 0 HA GLN A 106 16.844 -7.739 3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 106 18.203 -8.684 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.735 -7.082 1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.817 -6.772 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.258 -8.355 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.880 -10.234 2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 106 21.482 -10.280 2.106 1.00 0.00 H new ATOM 1582 N ARG A 107 17.381 -4.767 2.267 1.00 0.00 N ATOM 1583 CA ARG A 107 17.564 -3.342 2.444 1.00 0.00 C ATOM 1584 C ARG A 107 16.205 -2.757 2.859 1.00 0.00 C ATOM 1585 O ARG A 107 16.166 -1.798 3.621 1.00 0.00 O ATOM 1586 CB ARG A 107 18.132 -2.698 1.162 1.00 0.00 C ATOM 1587 CG ARG A 107 17.374 -3.081 -0.122 1.00 0.00 C ATOM 1588 CD ARG A 107 17.890 -2.363 -1.372 1.00 0.00 C ATOM 1589 NE ARG A 107 17.665 -0.927 -1.257 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.856 -0.081 -2.294 1.00 0.00 C ATOM 1591 NH1 ARG A 107 18.282 -0.522 -3.475 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.615 1.216 -2.129 1.00 0.00 N ATOM 0 H ARG A 107 17.275 -5.054 1.294 1.00 0.00 H new ATOM 0 HA ARG A 107 18.297 -3.130 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.112 -1.614 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.177 -2.988 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.452 -4.158 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.316 -2.853 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.954 -2.563 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.383 -2.748 -2.257 1.00 0.00 H new ATOM 0 HE ARG A 107 17.353 -0.548 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.471 -1.515 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.420 0.133 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.289 1.564 -1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.756 1.864 -2.904 1.00 0.00 H new ATOM 1606 N PHE A 108 15.098 -3.371 2.356 1.00 0.00 N ATOM 1607 CA PHE A 108 13.784 -2.847 2.723 1.00 0.00 C ATOM 1608 C PHE A 108 13.288 -3.575 3.991 1.00 0.00 C ATOM 1609 O PHE A 108 12.105 -3.507 4.291 1.00 0.00 O ATOM 1610 CB PHE A 108 12.744 -2.921 1.586 1.00 0.00 C ATOM 1611 CG PHE A 108 13.275 -2.483 0.244 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.932 -1.265 0.087 1.00 0.00 C ATOM 1613 CD2 PHE A 108 13.100 -3.295 -0.873 1.00 0.00 C ATOM 1614 CE1 PHE A 108 14.404 -0.875 -1.159 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.569 -2.911 -2.119 1.00 0.00 C ATOM 1616 CZ PHE A 108 14.227 -1.701 -2.260 1.00 0.00 C ATOM 0 H PHE A 108 15.098 -4.179 1.734 1.00 0.00 H new ATOM 0 HA PHE A 108 13.901 -1.782 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.380 -3.945 1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.888 -2.299 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 108 14.075 -0.619 0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.590 -4.241 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.910 0.073 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.422 -3.552 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.603 -1.400 -3.227 1.00 0.00 H new ATOM 1626 N LYS A 109 14.196 -4.311 4.686 1.00 0.00 N ATOM 1627 CA LYS A 109 13.852 -4.970 5.951 1.00 0.00 C ATOM 1628 C LYS A 109 14.192 -3.924 7.017 1.00 0.00 C ATOM 1629 O LYS A 109 13.485 -3.756 8.003 1.00 0.00 O ATOM 1630 CB LYS A 109 14.610 -6.293 6.214 1.00 0.00 C ATOM 1631 CG LYS A 109 13.751 -7.552 5.980 1.00 0.00 C ATOM 1632 CD LYS A 109 12.989 -8.028 7.226 1.00 0.00 C ATOM 1633 CE LYS A 109 11.865 -7.085 7.664 1.00 0.00 C ATOM 1634 NZ LYS A 109 11.067 -7.647 8.747 1.00 0.00 N ATOM 0 H LYS A 109 15.160 -4.455 4.386 1.00 0.00 H new ATOM 0 HA LYS A 109 12.806 -5.276 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 109 15.486 -6.335 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.973 -6.296 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.035 -7.348 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.395 -8.359 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.567 -9.013 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.694 -8.144 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.294 -6.136 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.219 -6.871 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.318 -6.975 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.636 -8.540 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.677 -7.827 9.570 1.00 0.00 H new ATOM 1647 N ALA A 110 15.329 -3.234 6.732 1.00 0.00 N ATOM 1648 CA ALA A 110 15.853 -2.175 7.582 1.00 0.00 C ATOM 1649 C ALA A 110 14.788 -1.071 7.641 1.00 0.00 C ATOM 1650 O ALA A 110 14.621 -0.406 8.655 1.00 0.00 O ATOM 1651 CB ALA A 110 17.185 -1.655 7.022 1.00 0.00 C ATOM 0 H ALA A 110 15.895 -3.410 5.902 1.00 0.00 H new ATOM 0 HA ALA A 110 16.059 -2.540 8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.566 -0.863 7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.907 -2.471 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 110 17.029 -1.261 6.018 1.00 0.00 H new ATOM 1657 N MET A 111 14.074 -0.931 6.498 1.00 0.00 N ATOM 1658 CA MET A 111 12.995 0.029 6.393 1.00 0.00 C ATOM 1659 C MET A 111 11.820 -0.682 7.082 1.00 0.00 C ATOM 1660 O MET A 111 11.309 -0.228 8.099 1.00 0.00 O ATOM 1661 CB MET A 111 12.753 0.376 4.912 1.00 0.00 C ATOM 1662 CG MET A 111 13.972 1.071 4.290 1.00 0.00 C ATOM 1663 SD MET A 111 13.626 1.709 2.640 1.00 0.00 S ATOM 1664 CE MET A 111 13.204 3.411 3.061 1.00 0.00 C ATOM 0 H MET A 111 14.239 -1.476 5.652 1.00 0.00 H new ATOM 0 HA MET A 111 13.184 0.993 6.865 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.529 -0.534 4.356 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.881 1.024 4.827 1.00 0.00 H new ATOM 0 HG2 MET A 111 14.289 1.890 4.935 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.802 0.367 4.238 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.501 3.804 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.748 3.439 4.051 1.00 0.00 H new ATOM 0 HE3 MET A 111 14.108 4.021 3.061 1.00 0.00 H new ATOM 1674 N GLY A 112 11.474 -1.835 6.460 1.00 0.00 N ATOM 1675 CA GLY A 112 10.433 -2.781 6.859 1.00 0.00 C ATOM 1676 C GLY A 112 9.188 -2.211 7.556 1.00 0.00 C ATOM 1677 O GLY A 112 8.624 -2.843 8.441 1.00 0.00 O ATOM 0 H GLY A 112 11.953 -2.138 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.105 -3.316 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.884 -3.517 7.524 1.00 0.00 H new ATOM 1681 N PHE A 113 8.791 -1.000 7.106 1.00 0.00 N ATOM 1682 CA PHE A 113 7.603 -0.359 7.661 1.00 0.00 C ATOM 1683 C PHE A 113 6.392 -0.815 6.817 1.00 0.00 C ATOM 1684 O PHE A 113 5.260 -0.433 7.085 1.00 0.00 O ATOM 1685 CB PHE A 113 7.766 1.173 7.754 1.00 0.00 C ATOM 1686 CG PHE A 113 8.426 1.808 6.555 1.00 0.00 C ATOM 1687 CD1 PHE A 113 7.821 1.791 5.302 1.00 0.00 C ATOM 1688 CD2 PHE A 113 9.661 2.434 6.696 1.00 0.00 C ATOM 1689 CE1 PHE A 113 8.443 2.382 4.208 1.00 0.00 C ATOM 1690 CE2 PHE A 113 10.280 3.031 5.608 1.00 0.00 C ATOM 1691 CZ PHE A 113 9.673 3.002 4.361 1.00 0.00 C ATOM 0 H PHE A 113 9.269 -0.467 6.379 1.00 0.00 H new ATOM 0 HA PHE A 113 7.441 -0.667 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.782 1.622 7.891 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.351 1.410 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.860 1.314 5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 113 10.142 2.455 7.663 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.967 2.358 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 113 11.236 3.519 5.732 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.157 3.461 3.512 1.00 0.00 H new ATOM 1701 N ASP A 114 6.698 -1.639 5.788 1.00 0.00 N ATOM 1702 CA ASP A 114 5.719 -2.206 4.885 1.00 0.00 C ATOM 1703 C ASP A 114 5.595 -3.676 5.312 1.00 0.00 C ATOM 1704 O ASP A 114 6.590 -4.332 5.600 1.00 0.00 O ATOM 1705 CB ASP A 114 6.206 -2.057 3.427 1.00 0.00 C ATOM 1706 CG ASP A 114 7.594 -2.696 3.192 1.00 0.00 C ATOM 1707 OD1 ASP A 114 8.603 -2.042 3.462 1.00 0.00 O ATOM 1708 OD2 ASP A 114 7.649 -3.839 2.739 1.00 0.00 O ATOM 0 H ASP A 114 7.654 -1.922 5.574 1.00 0.00 H new ATOM 0 HA ASP A 114 4.751 -1.707 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.480 -2.518 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.250 -0.999 3.169 1.00 0.00 H new ATOM 1713 N ARG A 115 4.329 -4.146 5.352 1.00 0.00 N ATOM 1714 CA ARG A 115 4.030 -5.521 5.706 1.00 0.00 C ATOM 1715 C ARG A 115 3.553 -6.120 4.385 1.00 0.00 C ATOM 1716 O ARG A 115 3.402 -5.414 3.396 1.00 0.00 O ATOM 1717 CB ARG A 115 2.981 -5.606 6.835 1.00 0.00 C ATOM 1718 CG ARG A 115 2.116 -4.347 7.050 1.00 0.00 C ATOM 1719 CD ARG A 115 2.796 -3.294 7.934 1.00 0.00 C ATOM 1720 NE ARG A 115 1.823 -2.289 8.339 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.183 -1.197 9.048 1.00 0.00 C ATOM 1722 NH1 ARG A 115 3.458 -0.961 9.346 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.251 -0.344 9.457 1.00 0.00 N ATOM 0 H ARG A 115 3.507 -3.580 5.140 1.00 0.00 H new ATOM 0 HA ARG A 115 4.882 -6.063 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.319 -6.446 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.498 -5.831 7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.883 -3.904 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.169 -4.637 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.230 -3.769 8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 115 3.615 -2.823 7.390 1.00 0.00 H new ATOM 0 HE ARG A 115 0.844 -2.413 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.182 -1.610 9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.711 -0.131 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.270 -0.515 9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.516 0.483 9.993 1.00 0.00 H new ATOM 1737 N VAL A 116 3.339 -7.455 4.413 1.00 0.00 N ATOM 1738 CA VAL A 116 2.874 -8.125 3.206 1.00 0.00 C ATOM 1739 C VAL A 116 1.835 -9.175 3.584 1.00 0.00 C ATOM 1740 O VAL A 116 1.799 -9.683 4.698 1.00 0.00 O ATOM 1741 CB VAL A 116 4.060 -8.803 2.427 1.00 0.00 C ATOM 1742 CG1 VAL A 116 5.163 -7.752 2.099 1.00 0.00 C ATOM 1743 CG2 VAL A 116 4.365 -10.326 2.370 1.00 0.00 C ATOM 0 H VAL A 116 3.477 -8.056 5.225 1.00 0.00 H new ATOM 0 HA VAL A 116 2.430 -7.378 2.548 1.00 0.00 H new ATOM 0 HB VAL A 116 3.543 -9.236 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.978 -8.236 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.739 -6.960 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 116 5.545 -7.324 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.248 -10.497 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.547 -10.699 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.514 -10.852 1.937 1.00 0.00 H new ATOM 1753 N TYR A 117 1.009 -9.466 2.551 1.00 0.00 N ATOM 1754 CA TYR A 117 -0.023 -10.487 2.707 1.00 0.00 C ATOM 1755 C TYR A 117 0.614 -11.726 2.032 1.00 0.00 C ATOM 1756 O TYR A 117 1.404 -11.575 1.106 1.00 0.00 O ATOM 1757 CB TYR A 117 -1.350 -10.165 1.987 1.00 0.00 C ATOM 1758 CG TYR A 117 -2.105 -8.947 2.474 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.542 -7.677 2.489 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -3.437 -9.072 2.854 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -2.303 -6.567 2.812 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -4.203 -7.973 3.217 1.00 0.00 C ATOM 1763 CZ TYR A 117 -3.642 -6.695 3.185 1.00 0.00 C ATOM 1764 OH TYR A 117 -4.378 -5.571 3.546 1.00 0.00 O ATOM 0 H TYR A 117 1.043 -9.019 1.635 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.292 -10.599 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -1.139 -10.034 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -2.006 -11.031 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.497 -7.554 2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.889 -10.053 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.853 -5.586 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -5.230 -8.106 3.523 1.00 0.00 H new ATOM 0 HH TYR A 117 -4.581 -5.042 2.746 1.00 0.00 H new ATOM 1774 N PRO A 118 0.252 -12.959 2.508 1.00 0.00 N ATOM 1775 CA PRO A 118 0.774 -14.215 1.959 1.00 0.00 C ATOM 1776 C PRO A 118 0.434 -14.287 0.453 1.00 0.00 C ATOM 1777 O PRO A 118 -0.387 -13.522 -0.041 1.00 0.00 O ATOM 1778 CB PRO A 118 0.036 -15.314 2.760 1.00 0.00 C ATOM 1779 CG PRO A 118 -0.380 -14.631 4.053 1.00 0.00 C ATOM 1780 CD PRO A 118 -0.650 -13.187 3.638 1.00 0.00 C ATOM 0 HA PRO A 118 1.856 -14.317 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.829 -15.689 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 118 0.686 -16.168 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.268 -15.096 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.406 -14.690 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.692 -13.044 3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.447 -12.494 4.455 1.00 0.00 H new ATOM 1788 N PRO A 119 1.098 -15.251 -0.263 1.00 0.00 N ATOM 1789 CA PRO A 119 0.881 -15.478 -1.693 1.00 0.00 C ATOM 1790 C PRO A 119 -0.572 -15.966 -1.787 1.00 0.00 C ATOM 1791 O PRO A 119 -1.476 -15.148 -1.898 1.00 0.00 O ATOM 1792 CB PRO A 119 1.963 -16.486 -2.114 1.00 0.00 C ATOM 1793 CG PRO A 119 2.388 -17.172 -0.814 1.00 0.00 C ATOM 1794 CD PRO A 119 2.110 -16.152 0.295 1.00 0.00 C ATOM 0 HA PRO A 119 0.979 -14.624 -2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 119 1.573 -17.207 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.806 -15.985 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 119 1.825 -18.091 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.443 -17.445 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.747 -16.641 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.015 -15.609 0.567 1.00 0.00 H new ATOM 1802 N GLY A 120 -0.759 -17.312 -1.752 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.100 -17.903 -1.800 1.00 0.00 C ATOM 1804 C GLY A 120 -3.027 -17.185 -0.805 1.00 0.00 C ATOM 1805 O GLY A 120 -2.666 -16.968 0.346 1.00 0.00 O ATOM 0 H GLY A 120 -0.001 -17.991 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.505 -17.824 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.047 -18.965 -1.559 1.00 0.00 H new ATOM 1809 N THR A 121 -4.221 -16.817 -1.326 1.00 0.00 N ATOM 1810 CA THR A 121 -5.164 -16.062 -0.517 1.00 0.00 C ATOM 1811 C THR A 121 -5.621 -16.921 0.649 1.00 0.00 C ATOM 1812 O THR A 121 -5.491 -18.137 0.731 1.00 0.00 O ATOM 1813 CB THR A 121 -6.385 -15.501 -1.319 1.00 0.00 C ATOM 1814 OG1 THR A 121 -7.254 -14.524 -0.649 1.00 0.00 O ATOM 1815 CG2 THR A 121 -7.142 -16.632 -2.077 1.00 0.00 C ATOM 0 H THR A 121 -4.534 -17.029 -2.273 1.00 0.00 H new ATOM 0 HA THR A 121 -4.639 -15.180 -0.151 1.00 0.00 H new ATOM 0 HB THR A 121 -5.925 -14.852 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 121 -7.973 -14.255 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.983 -16.204 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.463 -17.117 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.510 -17.367 -1.361 1.00 0.00 H new ATOM 1823 N SER A 122 -6.161 -16.087 1.537 1.00 0.00 N ATOM 1824 CA SER A 122 -6.710 -16.422 2.815 1.00 0.00 C ATOM 1825 C SER A 122 -7.359 -15.099 3.207 1.00 0.00 C ATOM 1826 O SER A 122 -6.654 -14.115 3.398 1.00 0.00 O ATOM 1827 CB SER A 122 -5.543 -16.774 3.774 1.00 0.00 C ATOM 1828 OG SER A 122 -4.382 -15.850 3.845 1.00 0.00 O ATOM 0 H SER A 122 -6.222 -15.086 1.350 1.00 0.00 H new ATOM 0 HA SER A 122 -7.397 -17.268 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.956 -16.866 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.167 -17.758 3.492 1.00 0.00 H new ATOM 0 HG SER A 122 -4.701 -14.935 3.990 1.00 0.00 H new ATOM 1834 N PRO A 123 -8.717 -15.057 3.316 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.383 -13.811 3.653 1.00 0.00 C ATOM 1836 C PRO A 123 -9.123 -13.415 5.120 1.00 0.00 C ATOM 1837 O PRO A 123 -9.537 -12.349 5.561 1.00 0.00 O ATOM 1838 CB PRO A 123 -10.879 -14.053 3.380 1.00 0.00 C ATOM 1839 CG PRO A 123 -10.927 -15.363 2.589 1.00 0.00 C ATOM 1840 CD PRO A 123 -9.660 -16.124 2.986 1.00 0.00 C ATOM 0 HA PRO A 123 -9.005 -12.979 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.443 -14.132 4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -11.315 -13.232 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.822 -15.936 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -10.951 -15.173 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -9.836 -16.783 3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.293 -16.747 2.171 1.00 0.00 H new ATOM 1848 N GLU A 124 -8.414 -14.317 5.836 1.00 0.00 N ATOM 1849 CA GLU A 124 -8.049 -14.168 7.228 1.00 0.00 C ATOM 1850 C GLU A 124 -7.048 -13.006 7.361 1.00 0.00 C ATOM 1851 O GLU A 124 -6.916 -12.408 8.423 1.00 0.00 O ATOM 1852 CB GLU A 124 -7.408 -15.492 7.682 1.00 0.00 C ATOM 1853 CG GLU A 124 -6.969 -15.490 9.155 1.00 0.00 C ATOM 1854 CD GLU A 124 -6.451 -16.877 9.572 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -5.266 -17.146 9.380 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -7.239 -17.673 10.084 1.00 0.00 O ATOM 0 H GLU A 124 -8.078 -15.191 5.430 1.00 0.00 H new ATOM 0 HA GLU A 124 -8.918 -13.946 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.119 -16.303 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.542 -15.701 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.188 -14.745 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -7.808 -15.204 9.789 1.00 0.00 H new ATOM 1863 N THR A 125 -6.364 -12.714 6.235 1.00 0.00 N ATOM 1864 CA THR A 125 -5.348 -11.695 6.219 1.00 0.00 C ATOM 1865 C THR A 125 -5.993 -10.307 6.174 1.00 0.00 C ATOM 1866 O THR A 125 -5.373 -9.366 6.652 1.00 0.00 O ATOM 1867 CB THR A 125 -4.424 -11.937 4.985 1.00 0.00 C ATOM 1868 OG1 THR A 125 -4.296 -13.277 4.419 1.00 0.00 O ATOM 1869 CG2 THR A 125 -3.045 -11.278 5.217 1.00 0.00 C ATOM 0 H THR A 125 -6.512 -13.179 5.339 1.00 0.00 H new ATOM 0 HA THR A 125 -4.747 -11.744 7.127 1.00 0.00 H new ATOM 0 HB THR A 125 -4.984 -11.451 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.962 -13.213 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.408 -11.453 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 125 -3.174 -10.205 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.579 -11.711 6.103 1.00 0.00 H new ATOM 1877 N THR A 126 -7.217 -10.174 5.595 1.00 0.00 N ATOM 1878 CA THR A 126 -7.783 -8.837 5.556 1.00 0.00 C ATOM 1879 C THR A 126 -8.416 -8.498 6.907 1.00 0.00 C ATOM 1880 O THR A 126 -8.641 -7.326 7.213 1.00 0.00 O ATOM 1881 CB THR A 126 -8.802 -8.526 4.455 1.00 0.00 C ATOM 1882 OG1 THR A 126 -10.012 -9.340 4.389 1.00 0.00 O ATOM 1883 CG2 THR A 126 -8.114 -8.204 3.106 1.00 0.00 C ATOM 0 H THR A 126 -7.777 -10.921 5.185 1.00 0.00 H new ATOM 0 HA THR A 126 -6.920 -8.216 5.316 1.00 0.00 H new ATOM 0 HB THR A 126 -9.272 -7.600 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 126 -9.822 -10.238 4.733 1.00 0.00 H new ATOM 0 HG21 THR A 126 -8.872 -7.989 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.466 -7.336 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 126 -7.519 -9.060 2.788 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.692 -9.550 7.702 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.209 -9.283 9.035 1.00 0.00 C ATOM 1893 C ILE A 127 -8.033 -8.593 9.765 1.00 0.00 C ATOM 1894 O ILE A 127 -8.225 -7.808 10.684 1.00 0.00 O ATOM 1895 CB ILE A 127 -9.648 -10.604 9.735 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.245 -11.687 8.820 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -9.977 -10.314 11.236 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -10.713 -12.971 9.532 1.00 0.00 C ATOM 0 H ILE A 127 -8.571 -10.532 7.455 1.00 0.00 H new ATOM 0 HA ILE A 127 -10.101 -8.657 9.030 1.00 0.00 H new ATOM 0 HB ILE A 127 -8.905 -11.377 9.933 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.093 -11.259 8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -9.500 -11.958 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -10.284 -11.238 11.726 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.092 -9.917 11.732 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.785 -9.585 11.297 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -11.117 -13.668 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -9.868 -13.432 10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -11.486 -12.723 10.259 1.00 0.00 H new ATOM 1910 N ALA A 128 -6.817 -8.923 9.250 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.583 -8.387 9.747 1.00 0.00 C ATOM 1912 C ALA A 128 -5.177 -7.168 8.899 1.00 0.00 C ATOM 1913 O ALA A 128 -4.192 -6.539 9.254 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.493 -9.471 9.781 1.00 0.00 C ATOM 0 H ALA A 128 -6.698 -9.575 8.474 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.715 -8.050 10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.566 -9.043 10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.810 -10.286 10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.330 -9.854 8.774 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.929 -6.822 7.809 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.611 -5.667 6.949 1.00 0.00 C ATOM 1922 C ASP A 129 -5.472 -4.450 7.873 1.00 0.00 C ATOM 1923 O ASP A 129 -4.436 -3.812 8.007 1.00 0.00 O ATOM 1924 CB ASP A 129 -6.726 -5.367 5.895 1.00 0.00 C ATOM 1925 CG ASP A 129 -6.447 -4.189 4.923 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -5.683 -3.283 5.255 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -7.003 -4.199 3.824 1.00 0.00 O ATOM 0 H ASP A 129 -6.759 -7.337 7.516 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.699 -5.887 6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.891 -6.268 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.655 -5.160 6.427 1.00 0.00 H new ATOM 1932 N MET A 130 -6.635 -4.220 8.488 1.00 0.00 N ATOM 1933 CA MET A 130 -6.844 -3.092 9.364 1.00 0.00 C ATOM 1934 C MET A 130 -6.495 -3.439 10.814 1.00 0.00 C ATOM 1935 O MET A 130 -6.147 -2.545 11.570 1.00 0.00 O ATOM 1936 CB MET A 130 -8.308 -2.680 9.180 1.00 0.00 C ATOM 1937 CG MET A 130 -8.740 -1.489 10.026 1.00 0.00 C ATOM 1938 SD MET A 130 -10.342 -0.900 9.469 1.00 0.00 S ATOM 1939 CE MET A 130 -9.782 0.098 8.079 1.00 0.00 C ATOM 0 H MET A 130 -7.453 -4.820 8.384 1.00 0.00 H new ATOM 0 HA MET A 130 -6.187 -2.259 9.116 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.476 -2.443 8.129 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.945 -3.531 9.421 1.00 0.00 H new ATOM 0 HG2 MET A 130 -8.793 -1.777 11.076 1.00 0.00 H new ATOM 0 HG3 MET A 130 -8.002 -0.690 9.951 1.00 0.00 H new ATOM 0 HE1 MET A 130 -10.531 0.856 7.850 1.00 0.00 H new ATOM 0 HE2 MET A 130 -8.841 0.584 8.336 1.00 0.00 H new ATOM 0 HE3 MET A 130 -9.634 -0.541 7.208 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.573 -4.728 11.205 1.00 0.00 N ATOM 1950 CA LYS A 131 -6.302 -5.030 12.610 1.00 0.00 C ATOM 1951 C LYS A 131 -4.782 -5.036 12.873 1.00 0.00 C ATOM 1952 O LYS A 131 -4.369 -5.014 14.026 1.00 0.00 O ATOM 1953 CB LYS A 131 -6.987 -6.352 12.996 1.00 0.00 C ATOM 1954 CG LYS A 131 -6.957 -6.678 14.496 1.00 0.00 C ATOM 1955 CD LYS A 131 -7.830 -7.893 14.845 1.00 0.00 C ATOM 1956 CE LYS A 131 -7.331 -9.199 14.214 1.00 0.00 C ATOM 1957 NZ LYS A 131 -8.163 -10.341 14.575 1.00 0.00 N ATOM 0 H LYS A 131 -6.805 -5.522 10.609 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.722 -4.253 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -8.025 -6.317 12.667 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -6.508 -7.166 12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.929 -6.871 14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -7.301 -5.812 15.061 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -7.862 -8.010 15.928 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.852 -7.705 14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.314 -9.093 13.129 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -6.305 -9.385 14.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -7.787 -11.200 14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -8.159 -10.461 15.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -9.137 -10.178 14.249 1.00 0.00 H new ATOM 1970 N GLU A 132 -3.968 -5.046 11.790 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.524 -5.076 11.975 1.00 0.00 C ATOM 1972 C GLU A 132 -2.022 -3.639 12.070 1.00 0.00 C ATOM 1973 O GLU A 132 -1.377 -3.251 13.032 1.00 0.00 O ATOM 1974 CB GLU A 132 -1.829 -5.871 10.854 1.00 0.00 C ATOM 1975 CG GLU A 132 -0.317 -6.028 11.092 1.00 0.00 C ATOM 1976 CD GLU A 132 0.331 -6.937 10.031 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.110 -8.076 9.877 1.00 0.00 O ATOM 1978 OE2 GLU A 132 1.273 -6.500 9.373 1.00 0.00 O ATOM 0 H GLU A 132 -4.284 -5.034 10.820 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.277 -5.597 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.285 -6.858 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.993 -5.368 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.159 -5.048 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.145 -6.446 12.084 1.00 0.00 H new ATOM 1985 N VAL A 133 -2.360 -2.893 11.008 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.946 -1.495 10.864 1.00 0.00 C ATOM 1987 C VAL A 133 -2.516 -0.564 11.960 1.00 0.00 C ATOM 1988 O VAL A 133 -1.847 0.374 12.376 1.00 0.00 O ATOM 1989 CB VAL A 133 -2.262 -1.012 9.404 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -2.124 0.543 9.297 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -2.035 -1.887 8.148 1.00 0.00 C ATOM 0 H VAL A 133 -2.923 -3.241 10.232 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.869 -1.439 11.020 1.00 0.00 H new ATOM 0 HB VAL A 133 -3.306 -1.301 9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -2.347 0.859 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.823 1.019 9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -1.106 0.836 9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.329 -1.330 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.981 -2.154 8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.635 -2.794 8.223 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.758 -0.863 12.407 1.00 0.00 N ATOM 2002 CA LEU A 134 -4.377 -0.025 13.430 1.00 0.00 C ATOM 2003 C LEU A 134 -3.835 -0.475 14.792 1.00 0.00 C ATOM 2004 O LEU A 134 -3.681 0.334 15.699 1.00 0.00 O ATOM 2005 CB LEU A 134 -5.914 -0.113 13.416 1.00 0.00 C ATOM 2006 CG LEU A 134 -6.573 0.504 12.140 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -8.077 0.785 12.427 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -5.866 1.007 10.839 1.00 0.00 C ATOM 0 H LEU A 134 -4.323 -1.648 12.084 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.128 1.017 13.229 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -6.209 -1.159 13.495 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -6.305 0.396 14.297 1.00 0.00 H new ATOM 0 HG LEU A 134 -6.116 -0.027 11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -8.542 1.216 11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -8.579 -0.148 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -8.164 1.484 13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -6.614 1.381 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.171 1.808 11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.320 0.183 10.380 1.00 0.00 H new ATOM 2020 N GLY A 135 -3.562 -1.796 14.888 1.00 0.00 N ATOM 2021 CA GLY A 135 -3.044 -2.358 16.128 1.00 0.00 C ATOM 2022 C GLY A 135 -1.597 -1.916 16.384 1.00 0.00 C ATOM 2023 O GLY A 135 -1.330 -0.941 17.077 1.00 0.00 O ATOM 0 H GLY A 135 -3.692 -2.469 14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -3.674 -2.046 16.961 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -3.091 -3.446 16.083 1.00 0.00 H new ATOM 2027 N VAL A 136 -0.698 -2.714 15.775 1.00 0.00 N ATOM 2028 CA VAL A 136 0.739 -2.504 15.868 1.00 0.00 C ATOM 2029 C VAL A 136 1.187 -1.630 14.685 1.00 0.00 C ATOM 2030 O VAL A 136 0.469 -1.442 13.711 1.00 0.00 O ATOM 2031 CB VAL A 136 1.444 -3.902 15.838 1.00 0.00 C ATOM 2032 CG1 VAL A 136 2.781 -3.853 16.637 1.00 0.00 C ATOM 2033 CG2 VAL A 136 0.714 -5.221 15.459 1.00 0.00 C ATOM 0 H VAL A 136 -0.960 -3.520 15.207 1.00 0.00 H new ATOM 0 HA VAL A 136 1.006 -1.995 16.794 1.00 0.00 H new ATOM 0 HB VAL A 136 1.666 -4.173 14.806 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.259 -4.832 16.607 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.444 -3.112 16.191 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.576 -3.581 17.672 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.416 -6.053 15.512 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.108 -5.394 16.154 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.322 -5.141 14.445 1.00 0.00 H new ATOM 2043 N GLU A 137 2.421 -1.106 14.861 1.00 0.00 N ATOM 2044 CA GLU A 137 3.109 -0.266 13.898 1.00 0.00 C ATOM 2045 C GLU A 137 2.298 1.035 13.747 1.00 0.00 C ATOM 2046 O GLU A 137 1.491 1.137 12.822 1.00 0.00 O ATOM 2047 CB GLU A 137 3.352 -1.025 12.578 1.00 0.00 C ATOM 2048 CG GLU A 137 4.078 -2.372 12.739 1.00 0.00 C ATOM 2049 CD GLU A 137 5.484 -2.197 13.340 1.00 0.00 C ATOM 2050 OE1 GLU A 137 6.393 -1.807 12.607 1.00 0.00 O ATOM 2051 OE2 GLU A 137 5.654 -2.452 14.532 1.00 0.00 O ATOM 2052 OXT GLU A 137 2.493 1.940 14.557 1.00 0.00 O ATOM 0 H GLU A 137 2.968 -1.270 15.706 1.00 0.00 H new ATOM 0 HA GLU A 137 4.108 0.002 14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 137 2.392 -1.200 12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 137 3.935 -0.390 11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 137 3.488 -3.028 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 137 4.156 -2.861 11.768 1.00 0.00 H new TER 2059 GLU A 137 HETATM 2060 N4 FOP A 138 -0.637 -12.712 -12.635 1.00 0.00 N HETATM 2061 C5 FOP A 138 -0.245 -12.966 -11.251 1.00 0.00 C HETATM 2062 C6 FOP A 138 -0.244 -14.453 -10.859 1.00 0.00 C HETATM 2063 C7 FOP A 138 0.941 -15.198 -11.479 1.00 0.00 C HETATM 2064 O7 FOP A 138 -0.163 -14.642 -9.461 1.00 0.00 O HETATM 0 H73 FOP A 138 0.886 -15.129 -12.565 1.00 0.00 H new HETATM 0 H72 FOP A 138 1.873 -14.751 -11.134 1.00 0.00 H new HETATM 0 H71 FOP A 138 0.909 -16.246 -11.180 1.00 0.00 H new HETATM 0 H6 FOP A 138 -1.189 -14.847 -11.234 1.00 0.00 H new HETATM 0 H52 FOP A 138 0.752 -12.558 -11.087 1.00 0.00 H new HETATM 0 H51 FOP A 138 -0.923 -12.428 -10.589 1.00 0.00 H new HETATM 0 H43 FOP A 138 -0.613 -11.709 -12.817 1.00 0.00 H new HETATM 0 H42 FOP A 138 0.010 -13.187 -13.265 1.00 0.00 H new HETATM 0 H41 FOP A 138 -1.582 -13.063 -12.791 1.00 0.00 H new HETATM 2074 P DBI A 139 -1.572 -14.795 -8.754 1.00 0.00 P HETATM 2075 O1P DBI A 139 -2.500 -13.573 -9.131 1.00 0.00 O HETATM 2076 O2P DBI A 139 -2.242 -16.143 -9.238 1.00 0.00 O HETATM 2077 O3' DBI A 139 -1.347 -14.828 -7.187 1.00 0.00 O HETATM 2078 O5' DBI A 139 -4.908 -16.619 -7.348 1.00 0.00 O HETATM 2079 C5' DBI A 139 -4.767 -15.227 -7.469 1.00 0.00 C HETATM 2080 C4' DBI A 139 -3.708 -14.667 -6.509 1.00 0.00 C HETATM 2081 O4' DBI A 139 -4.218 -14.671 -5.189 1.00 0.00 O HETATM 2082 C1' DBI A 139 -3.111 -14.660 -4.306 1.00 0.00 C HETATM 2083 N1 DBI A 139 -2.710 -13.281 -4.046 1.00 0.00 N HETATM 2084 C8 DBI A 139 -3.107 -12.474 -2.984 1.00 0.00 C HETATM 2085 C7 DBI A 139 -3.839 -12.695 -1.849 1.00 0.00 C HETATM 2086 C6 DBI A 139 -4.132 -11.659 -0.954 1.00 0.00 C HETATM 2087 C11 DBI A 139 -4.904 -11.972 0.305 1.00 0.00 C HETATM 2088 C10 DBI A 139 -4.020 -9.160 -0.408 1.00 0.00 C HETATM 2089 C5 DBI A 139 -3.700 -10.356 -1.261 1.00 0.00 C HETATM 2090 C4 DBI A 139 -2.924 -10.148 -2.400 1.00 0.00 C HETATM 2091 C9 DBI A 139 -2.622 -11.169 -3.249 1.00 0.00 C HETATM 2092 N3 DBI A 139 -1.880 -11.229 -4.410 1.00 0.00 N HETATM 2093 C2 DBI A 139 -1.964 -12.497 -4.843 1.00 0.00 C HETATM 2094 C2' DBI A 139 -2.057 -15.542 -4.985 1.00 0.00 C HETATM 2095 O2' DBI A 139 -0.729 -15.200 -4.658 1.00 0.00 O HETATM 2096 C3' DBI A 139 -2.390 -15.451 -6.467 1.00 0.00 C HETATM 0 HO21 DBI A 139 -0.112 -15.802 -5.124 1.00 0.00 H new HETATM 0 H5'2 DBI A 139 -4.493 -14.979 -8.494 1.00 0.00 H new HETATM 0 H5'1 DBI A 139 -5.725 -14.748 -7.270 1.00 0.00 H new HETATM 0 H113 DBI A 139 -5.877 -12.387 0.042 1.00 0.00 H new HETATM 0 H112 DBI A 139 -4.350 -12.697 0.901 1.00 0.00 H new HETATM 0 H111 DBI A 139 -5.043 -11.058 0.883 1.00 0.00 H new HETATM 0 H103 DBI A 139 -5.101 -9.036 -0.346 1.00 0.00 H new HETATM 0 H102 DBI A 139 -3.614 -9.308 0.593 1.00 0.00 H new HETATM 0 H101 DBI A 139 -3.577 -8.268 -0.851 1.00 0.00 H new HETATM 0 HO5 DBI A 139 -5.592 -16.934 -7.975 1.00 0.00 H new HETATM 0 H7 DBI A 139 -4.202 -13.701 -1.637 1.00 0.00 H new HETATM 0 H4' DBI A 139 -3.491 -13.669 -6.889 1.00 0.00 H new HETATM 0 H4 DBI A 139 -2.551 -9.147 -2.616 1.00 0.00 H new HETATM 0 H3' DBI A 139 -2.497 -16.425 -6.944 1.00 0.00 H new HETATM 0 H2' DBI A 139 -2.099 -16.573 -4.634 1.00 0.00 H new HETATM 0 H2 DBI A 139 -1.476 -12.855 -5.750 1.00 0.00 H new HETATM 0 H1' DBI A 139 -3.313 -15.064 -3.314 1.00 0.00 H new