USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 SER OG : rot -110:sc= -1.13 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -0.432 K(o=-1.6,f=-7!) USER MOD Set 2.1: A 87 HIS : no HD1:sc= 0.792 K(o=1.5,f=-5.9!) USER MOD Set 2.2: A 89 GLN : amide:sc= 0.671 K(o=1.5,f=-3.6) USER MOD Set 3.1: A 42 MET CE :methyl -176:sc= -0.584 (180deg=-0.642) USER MOD Set 3.2: A 78 TYR OH : rot -5:sc= -0.623 USER MOD Set 4.1: A 36 SER OG : rot 66:sc= 1.29 USER MOD Set 4.2: A 44 THR OG1 : rot 150:sc= -0.0218 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.201 (180deg=-0.213) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 10 GLN : amide:sc= 0.697 K(o=0.7,f=-1.6) USER MOD Single : A 12 GLN : amide:sc= -0.229 K(o=-0.23,f=-3.2!) USER MOD Single : A 21 HIS : no HD1:sc=-0.00906 X(o=-0.0091,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 23 HIS : no HD1:sc= -0.654 K(o=-0.65,f=0.18) USER MOD Single : A 26 ASN : amide:sc= -0.772 K(o=-0.77,f=-3.5) USER MOD Single : A 30 GLN : amide:sc= -2.35! K(o=-2.3!,f=-0.24) USER MOD Single : A 32 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 37 THR OG1 : rot -32:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= 0.93 K(o=0.93,f=-0.4) USER MOD Single : A 45 MET CE :methyl -157:sc= -0.154 (180deg=-0.983) USER MOD Single : A 52 GLN : amide:sc= -2.08 K(o=-2.1,f=-2.8!) USER MOD Single : A 59 MET CE :methyl -166:sc= -1.53 (180deg=-1.84) USER MOD Single : A 60 HIS : no HE2:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : A 65 ASN : amide:sc= 1.2 K(o=1.2,f=-0.04) USER MOD Single : A 66 LYS NZ :NH3+ 142:sc= -0.208 (180deg=-0.726) USER MOD Single : A 67 GLN : amide:sc= -0.784 K(o=-0.78,f=-2.9!) USER MOD Single : A 79 TYR OH : rot 33:sc= -0.702! USER MOD Single : A 81 MET CE :methyl -160:sc= -0.271 (180deg=-1.17) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.29) USER MOD Single : A 112 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.037) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.176 -2.402 4.549 1.00 0.00 N ATOM 2 CA MET A 1 -18.209 -2.232 3.440 1.00 0.00 C ATOM 3 C MET A 1 -17.231 -1.098 3.727 1.00 0.00 C ATOM 4 O MET A 1 -16.226 -0.955 3.027 1.00 0.00 O ATOM 5 CB MET A 1 -18.937 -1.958 2.120 1.00 0.00 C ATOM 6 CG MET A 1 -19.631 -3.176 1.536 1.00 0.00 C ATOM 7 SD MET A 1 -20.451 -2.823 -0.029 1.00 0.00 S ATOM 8 CE MET A 1 -21.012 -4.461 -0.489 1.00 0.00 C ATOM 0 H1 MET A 1 -19.859 -3.146 4.303 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.667 -2.672 5.415 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.681 -1.507 4.709 1.00 0.00 H new ATOM 0 HA MET A 1 -17.648 -3.163 3.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.676 -1.173 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.220 -1.577 1.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.899 -3.970 1.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.365 -3.549 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.541 -4.411 -1.441 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.154 -5.126 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.683 -4.845 0.279 1.00 0.00 H new ATOM 20 N THR A 2 -17.501 -0.322 4.778 1.00 0.00 N ATOM 21 CA THR A 2 -16.710 0.865 5.094 1.00 0.00 C ATOM 22 C THR A 2 -15.253 0.505 5.399 1.00 0.00 C ATOM 23 O THR A 2 -14.366 1.360 5.372 1.00 0.00 O ATOM 24 CB THR A 2 -17.322 1.612 6.293 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.752 1.603 6.179 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.830 3.052 6.354 1.00 0.00 C ATOM 0 H THR A 2 -18.267 -0.497 5.428 1.00 0.00 H new ATOM 0 HA THR A 2 -16.724 1.512 4.217 1.00 0.00 H new ATOM 0 HB THR A 2 -17.013 1.105 7.207 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.144 2.077 6.942 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.279 3.554 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.745 3.062 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.113 3.572 5.439 1.00 0.00 H new ATOM 34 N THR A 3 -15.011 -0.773 5.675 1.00 0.00 N ATOM 35 CA THR A 3 -13.663 -1.273 5.895 1.00 0.00 C ATOM 36 C THR A 3 -12.767 -0.982 4.686 1.00 0.00 C ATOM 37 O THR A 3 -11.586 -0.673 4.838 1.00 0.00 O ATOM 38 CB THR A 3 -13.683 -2.792 6.169 1.00 0.00 C ATOM 39 OG1 THR A 3 -14.661 -3.088 7.176 1.00 0.00 O ATOM 40 CG2 THR A 3 -12.317 -3.286 6.627 1.00 0.00 C ATOM 0 H THR A 3 -15.739 -1.484 5.751 1.00 0.00 H new ATOM 0 HA THR A 3 -13.257 -0.758 6.766 1.00 0.00 H new ATOM 0 HB THR A 3 -13.940 -3.302 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.673 -4.053 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.362 -4.359 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.578 -3.082 5.852 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.033 -2.771 7.545 1.00 0.00 H new ATOM 48 N HIS A 4 -13.344 -1.046 3.485 1.00 0.00 N ATOM 49 CA HIS A 4 -12.572 -0.832 2.259 1.00 0.00 C ATOM 50 C HIS A 4 -12.235 0.641 2.099 1.00 0.00 C ATOM 51 O HIS A 4 -11.165 0.994 1.601 1.00 0.00 O ATOM 52 CB HIS A 4 -13.344 -1.302 1.022 1.00 0.00 C ATOM 53 CG HIS A 4 -13.867 -2.700 1.116 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.202 -3.002 0.991 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.233 -3.878 1.327 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.371 -4.303 1.123 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.193 -4.859 1.328 1.00 0.00 N ATOM 0 H HIS A 4 -14.334 -1.242 3.335 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.656 -1.417 2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.181 -0.624 0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.692 -1.228 0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.172 -4.019 1.468 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.315 -4.825 1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.023 -5.855 1.465 1.00 0.00 H new ATOM 66 N ASP A 5 -13.154 1.493 2.536 1.00 0.00 N ATOM 67 CA ASP A 5 -12.998 2.938 2.423 1.00 0.00 C ATOM 68 C ASP A 5 -11.757 3.410 3.169 1.00 0.00 C ATOM 69 O ASP A 5 -10.991 4.226 2.661 1.00 0.00 O ATOM 70 CB ASP A 5 -14.237 3.656 2.969 1.00 0.00 C ATOM 71 CG ASP A 5 -15.470 3.427 2.117 1.00 0.00 C ATOM 72 OD1 ASP A 5 -16.059 2.326 2.194 1.00 0.00 O ATOM 73 OD2 ASP A 5 -15.859 4.348 1.365 1.00 0.00 O ATOM 0 H ASP A 5 -14.026 1.203 2.978 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.883 3.181 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.433 3.312 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.035 4.726 3.028 1.00 0.00 H new ATOM 78 N ARG A 6 -11.545 2.873 4.364 1.00 0.00 N ATOM 79 CA ARG A 6 -10.397 3.264 5.175 1.00 0.00 C ATOM 80 C ARG A 6 -9.102 2.692 4.611 1.00 0.00 C ATOM 81 O ARG A 6 -8.031 3.282 4.775 1.00 0.00 O ATOM 82 CB ARG A 6 -10.592 2.834 6.625 1.00 0.00 C ATOM 83 CG ARG A 6 -11.748 3.549 7.296 1.00 0.00 C ATOM 84 CD ARG A 6 -11.919 3.118 8.739 1.00 0.00 C ATOM 85 NE ARG A 6 -13.073 3.768 9.348 1.00 0.00 N ATOM 86 CZ ARG A 6 -14.206 3.139 9.641 1.00 0.00 C ATOM 87 NH1 ARG A 6 -14.319 1.832 9.419 1.00 0.00 N ATOM 88 NH2 ARG A 6 -15.227 3.820 10.146 1.00 0.00 N ATOM 0 H ARG A 6 -12.148 2.170 4.792 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.321 4.351 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.765 1.758 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.676 3.028 7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.581 4.625 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.667 3.348 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.040 2.036 8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.020 3.363 9.304 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.007 4.763 9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.535 1.312 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.189 1.350 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.141 4.823 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.098 3.340 10.372 1.00 0.00 H new ATOM 102 N VAL A 7 -9.200 1.552 3.937 1.00 0.00 N ATOM 103 CA VAL A 7 -8.051 0.981 3.246 1.00 0.00 C ATOM 104 C VAL A 7 -7.676 1.883 2.072 1.00 0.00 C ATOM 105 O VAL A 7 -6.499 2.141 1.817 1.00 0.00 O ATOM 106 CB VAL A 7 -8.334 -0.455 2.745 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.128 -1.024 2.016 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.718 -1.358 3.905 1.00 0.00 C ATOM 0 H VAL A 7 -10.059 1.008 3.855 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.223 0.919 3.952 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.168 -0.408 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.353 -2.034 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.891 -0.395 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.274 -1.052 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.913 -2.364 3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.902 -1.390 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.614 -0.969 4.388 1.00 0.00 H new ATOM 118 N ARG A 8 -8.700 2.382 1.382 1.00 0.00 N ATOM 119 CA ARG A 8 -8.515 3.365 0.320 1.00 0.00 C ATOM 120 C ARG A 8 -7.855 4.623 0.874 1.00 0.00 C ATOM 121 O ARG A 8 -6.946 5.183 0.260 1.00 0.00 O ATOM 122 CB ARG A 8 -9.863 3.709 -0.328 1.00 0.00 C ATOM 123 CG ARG A 8 -9.834 4.954 -1.200 1.00 0.00 C ATOM 124 CD ARG A 8 -11.182 5.212 -1.851 1.00 0.00 C ATOM 125 NE ARG A 8 -11.251 6.546 -2.444 1.00 0.00 N ATOM 126 CZ ARG A 8 -11.583 6.792 -3.715 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.908 5.791 -4.527 1.00 0.00 N ATOM 128 NH2 ARG A 8 -11.600 8.041 -4.170 1.00 0.00 N ATOM 0 H ARG A 8 -9.672 2.118 1.542 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.863 2.938 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.190 2.863 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.607 3.846 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.550 5.816 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.072 4.841 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.364 4.462 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.972 5.103 -1.108 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.031 7.343 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.905 4.832 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.161 5.982 -5.496 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.359 8.813 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.854 8.227 -5.140 1.00 0.00 H new ATOM 142 N LEU A 9 -8.316 5.050 2.045 1.00 0.00 N ATOM 143 CA LEU A 9 -7.742 6.206 2.726 1.00 0.00 C ATOM 144 C LEU A 9 -6.261 5.990 3.016 1.00 0.00 C ATOM 145 O LEU A 9 -5.470 6.934 2.975 1.00 0.00 O ATOM 146 CB LEU A 9 -8.487 6.482 4.037 1.00 0.00 C ATOM 147 CG LEU A 9 -9.961 6.864 3.892 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.596 7.049 5.260 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.106 8.129 3.063 1.00 0.00 C ATOM 0 H LEU A 9 -9.089 4.611 2.544 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.847 7.067 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.421 5.594 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.972 7.285 4.564 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.478 6.055 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.645 7.321 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.524 6.119 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.075 7.841 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.162 8.385 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.576 8.947 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.685 7.964 2.071 1.00 0.00 H new ATOM 161 N GLN A 10 -5.884 4.748 3.303 1.00 0.00 N ATOM 162 CA GLN A 10 -4.496 4.434 3.611 1.00 0.00 C ATOM 163 C GLN A 10 -3.640 4.463 2.350 1.00 0.00 C ATOM 164 O GLN A 10 -2.492 4.907 2.382 1.00 0.00 O ATOM 165 CB GLN A 10 -4.379 3.075 4.306 1.00 0.00 C ATOM 166 CG GLN A 10 -2.956 2.749 4.736 1.00 0.00 C ATOM 167 CD GLN A 10 -2.333 3.864 5.556 1.00 0.00 C ATOM 168 OE1 GLN A 10 -3.024 4.582 6.281 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.027 4.027 5.436 1.00 0.00 N ATOM 0 H GLN A 10 -6.517 3.948 3.328 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.127 5.198 4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.029 3.063 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.737 2.296 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.957 1.828 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.345 2.565 3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.490 3.411 4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.556 4.768 5.954 1.00 0.00 H new ATOM 178 N LEU A 11 -4.200 3.995 1.241 1.00 0.00 N ATOM 179 CA LEU A 11 -3.513 4.079 -0.043 1.00 0.00 C ATOM 180 C LEU A 11 -3.247 5.540 -0.382 1.00 0.00 C ATOM 181 O LEU A 11 -2.197 5.889 -0.918 1.00 0.00 O ATOM 182 CB LEU A 11 -4.341 3.427 -1.152 1.00 0.00 C ATOM 183 CG LEU A 11 -4.565 1.921 -1.005 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.393 1.394 -2.166 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.237 1.181 -0.920 1.00 0.00 C ATOM 0 H LEU A 11 -5.120 3.557 1.204 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.567 3.542 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.313 3.919 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.848 3.612 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.111 1.746 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.544 0.321 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.360 1.897 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.870 1.585 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.422 0.112 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.661 1.363 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.676 1.538 -0.056 1.00 0.00 H new ATOM 197 N GLN A 12 -4.208 6.388 -0.038 1.00 0.00 N ATOM 198 CA GLN A 12 -4.076 7.821 -0.238 1.00 0.00 C ATOM 199 C GLN A 12 -3.060 8.413 0.733 1.00 0.00 C ATOM 200 O GLN A 12 -2.353 9.359 0.395 1.00 0.00 O ATOM 201 CB GLN A 12 -5.437 8.499 -0.081 1.00 0.00 C ATOM 202 CG GLN A 12 -6.410 8.139 -1.191 1.00 0.00 C ATOM 203 CD GLN A 12 -7.823 8.612 -0.922 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.262 8.684 0.226 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.545 8.940 -1.980 1.00 0.00 N ATOM 0 H GLN A 12 -5.092 6.103 0.383 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.713 7.999 -1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.869 8.217 0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.299 9.580 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.060 8.574 -2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.415 7.057 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.143 8.866 -2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.504 9.267 -1.862 1.00 0.00 H new ATOM 214 N ALA A 13 -2.986 7.849 1.936 1.00 0.00 N ATOM 215 CA ALA A 13 -1.997 8.275 2.926 1.00 0.00 C ATOM 216 C ALA A 13 -0.591 7.982 2.429 1.00 0.00 C ATOM 217 O ALA A 13 0.291 8.840 2.476 1.00 0.00 O ATOM 218 CB ALA A 13 -2.228 7.582 4.260 1.00 0.00 C ATOM 0 H ALA A 13 -3.598 7.096 2.250 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.108 9.350 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.479 7.916 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.223 7.829 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.148 6.503 4.128 1.00 0.00 H new ATOM 224 N LEU A 14 -0.394 6.760 1.951 1.00 0.00 N ATOM 225 CA LEU A 14 0.888 6.344 1.402 1.00 0.00 C ATOM 226 C LEU A 14 1.248 7.208 0.198 1.00 0.00 C ATOM 227 O LEU A 14 2.379 7.681 0.075 1.00 0.00 O ATOM 228 CB LEU A 14 0.828 4.868 1.001 1.00 0.00 C ATOM 229 CG LEU A 14 2.127 4.283 0.447 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.228 4.324 1.497 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.897 2.861 -0.032 1.00 0.00 C ATOM 0 H LEU A 14 -1.112 6.036 1.933 1.00 0.00 H new ATOM 0 HA LEU A 14 1.659 6.470 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.530 4.285 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.046 4.745 0.252 1.00 0.00 H new ATOM 0 HG LEU A 14 2.447 4.889 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.143 3.903 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.407 5.357 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.923 3.742 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.829 2.454 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.556 2.247 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.141 2.859 -0.817 1.00 0.00 H new ATOM 243 N GLU A 15 0.270 7.425 -0.675 1.00 0.00 N ATOM 244 CA GLU A 15 0.452 8.282 -1.836 1.00 0.00 C ATOM 245 C GLU A 15 0.836 9.694 -1.399 1.00 0.00 C ATOM 246 O GLU A 15 1.758 10.291 -1.949 1.00 0.00 O ATOM 247 CB GLU A 15 -0.827 8.309 -2.680 1.00 0.00 C ATOM 248 CG GLU A 15 -0.711 9.138 -3.949 1.00 0.00 C ATOM 249 CD GLU A 15 -1.978 9.114 -4.779 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.986 9.715 -4.351 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.974 8.499 -5.864 1.00 0.00 O ATOM 0 H GLU A 15 -0.661 7.016 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 15 1.261 7.879 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.095 7.287 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.642 8.703 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.474 10.169 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.119 8.764 -4.549 1.00 0.00 H new ATOM 258 N ALA A 16 0.140 10.211 -0.388 1.00 0.00 N ATOM 259 CA ALA A 16 0.430 11.537 0.149 1.00 0.00 C ATOM 260 C ALA A 16 1.849 11.603 0.700 1.00 0.00 C ATOM 261 O ALA A 16 2.554 12.588 0.502 1.00 0.00 O ATOM 262 CB ALA A 16 -0.573 11.908 1.231 1.00 0.00 C ATOM 0 H ALA A 16 -0.630 9.730 0.076 1.00 0.00 H new ATOM 0 HA ALA A 16 0.345 12.255 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.340 12.900 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.578 11.910 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.520 11.180 2.041 1.00 0.00 H new ATOM 268 N LEU A 17 2.264 10.537 1.376 1.00 0.00 N ATOM 269 CA LEU A 17 3.618 10.440 1.912 1.00 0.00 C ATOM 270 C LEU A 17 4.642 10.512 0.780 1.00 0.00 C ATOM 271 O LEU A 17 5.680 11.169 0.902 1.00 0.00 O ATOM 272 CB LEU A 17 3.766 9.135 2.713 1.00 0.00 C ATOM 273 CG LEU A 17 5.147 8.879 3.332 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.000 8.222 4.695 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.990 7.996 2.423 1.00 0.00 C ATOM 0 H LEU A 17 1.679 9.724 1.567 1.00 0.00 H new ATOM 0 HA LEU A 17 3.802 11.279 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.026 9.137 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.523 8.299 2.056 1.00 0.00 H new ATOM 0 HG LEU A 17 5.650 9.839 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.987 8.046 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.430 8.876 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.477 7.272 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.965 7.827 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.488 7.040 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.122 8.487 1.459 1.00 0.00 H new ATOM 287 N LEU A 18 4.329 9.852 -0.327 1.00 0.00 N ATOM 288 CA LEU A 18 5.192 9.862 -1.500 1.00 0.00 C ATOM 289 C LEU A 18 5.192 11.237 -2.163 1.00 0.00 C ATOM 290 O LEU A 18 6.175 11.635 -2.781 1.00 0.00 O ATOM 291 CB LEU A 18 4.746 8.792 -2.501 1.00 0.00 C ATOM 292 CG LEU A 18 4.851 7.350 -1.998 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.284 6.382 -3.026 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.299 7.000 -1.681 1.00 0.00 C ATOM 0 H LEU A 18 3.478 9.300 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 18 6.208 9.638 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.711 8.988 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.346 8.890 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 18 4.265 7.263 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.368 5.362 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.235 6.617 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.842 6.472 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.355 5.971 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.904 7.106 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.675 7.672 -0.910 1.00 0.00 H new ATOM 306 N ARG A 19 4.087 11.959 -2.026 1.00 0.00 N ATOM 307 CA ARG A 19 3.978 13.308 -2.573 1.00 0.00 C ATOM 308 C ARG A 19 4.783 14.298 -1.743 1.00 0.00 C ATOM 309 O ARG A 19 5.488 15.148 -2.287 1.00 0.00 O ATOM 310 CB ARG A 19 2.518 13.761 -2.621 1.00 0.00 C ATOM 311 CG ARG A 19 1.627 12.878 -3.472 1.00 0.00 C ATOM 312 CD ARG A 19 0.180 13.339 -3.424 1.00 0.00 C ATOM 313 NE ARG A 19 -0.024 14.592 -4.146 1.00 0.00 N ATOM 314 CZ ARG A 19 -0.394 15.736 -3.577 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.528 15.822 -2.257 1.00 0.00 N ATOM 316 NH2 ARG A 19 -0.623 16.798 -4.337 1.00 0.00 N ATOM 0 H ARG A 19 3.251 11.633 -1.540 1.00 0.00 H new ATOM 0 HA ARG A 19 4.378 13.282 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.123 13.788 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.477 14.780 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.980 12.889 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.694 11.847 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.460 12.567 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.125 13.466 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 19 0.127 14.590 -5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.347 15.007 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.812 16.703 -1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.515 16.734 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.907 17.679 -3.909 1.00 0.00 H new ATOM 330 N GLU A 20 4.672 14.193 -0.424 1.00 0.00 N ATOM 331 CA GLU A 20 5.384 15.091 0.477 1.00 0.00 C ATOM 332 C GLU A 20 6.886 14.849 0.408 1.00 0.00 C ATOM 333 O GLU A 20 7.684 15.782 0.493 1.00 0.00 O ATOM 334 CB GLU A 20 4.889 14.921 1.913 1.00 0.00 C ATOM 335 CG GLU A 20 3.410 15.217 2.084 1.00 0.00 C ATOM 336 CD GLU A 20 3.022 16.574 1.535 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.171 17.579 2.255 1.00 0.00 O ATOM 338 OE2 GLU A 20 2.556 16.639 0.376 1.00 0.00 O ATOM 0 H GLU A 20 4.095 13.495 0.045 1.00 0.00 H new ATOM 0 HA GLU A 20 5.183 16.114 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.087 13.900 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.461 15.580 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.828 14.445 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.154 15.170 3.142 1.00 0.00 H new ATOM 345 N HIS A 21 7.269 13.593 0.234 1.00 0.00 N ATOM 346 CA HIS A 21 8.677 13.243 0.094 1.00 0.00 C ATOM 347 C HIS A 21 9.119 13.354 -1.359 1.00 0.00 C ATOM 348 O HIS A 21 10.281 13.118 -1.680 1.00 0.00 O ATOM 349 CB HIS A 21 8.948 11.835 0.631 1.00 0.00 C ATOM 350 CG HIS A 21 9.039 11.778 2.124 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.219 11.973 2.809 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.094 11.553 3.067 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.997 11.870 4.105 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.717 11.617 4.290 1.00 0.00 N ATOM 0 H HIS A 21 6.628 12.801 0.186 1.00 0.00 H new ATOM 0 HA HIS A 21 9.258 13.950 0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.154 11.167 0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.879 11.463 0.203 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.046 11.359 2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.739 11.975 4.883 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.263 11.489 5.194 1.00 0.00 H new ATOM 363 N GLN A 22 8.177 13.731 -2.221 1.00 0.00 N ATOM 364 CA GLN A 22 8.428 13.923 -3.647 1.00 0.00 C ATOM 365 C GLN A 22 9.106 12.710 -4.278 1.00 0.00 C ATOM 366 O GLN A 22 10.281 12.753 -4.646 1.00 0.00 O ATOM 367 CB GLN A 22 9.258 15.186 -3.884 1.00 0.00 C ATOM 368 CG GLN A 22 8.570 16.447 -3.393 1.00 0.00 C ATOM 369 CD GLN A 22 9.340 17.705 -3.737 1.00 0.00 C ATOM 370 OE1 GLN A 22 10.568 17.699 -3.817 1.00 0.00 O ATOM 371 NE2 GLN A 22 8.619 18.790 -3.953 1.00 0.00 N ATOM 0 H GLN A 22 7.211 13.913 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 22 7.459 14.043 -4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.219 15.083 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.466 15.283 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.573 16.505 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.442 16.389 -2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.603 18.751 -3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.078 19.667 -4.197 1.00 0.00 H new ATOM 380 N HIS A 23 8.361 11.622 -4.378 1.00 0.00 N ATOM 381 CA HIS A 23 8.850 10.413 -5.022 1.00 0.00 C ATOM 382 C HIS A 23 7.799 9.841 -5.954 1.00 0.00 C ATOM 383 O HIS A 23 7.922 8.712 -6.423 1.00 0.00 O ATOM 384 CB HIS A 23 9.261 9.358 -3.992 1.00 0.00 C ATOM 385 CG HIS A 23 10.650 9.547 -3.473 1.00 0.00 C ATOM 386 ND1 HIS A 23 11.735 8.873 -3.983 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.130 10.347 -2.498 1.00 0.00 C ATOM 388 CE1 HIS A 23 12.824 9.252 -3.342 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.485 10.149 -2.434 1.00 0.00 N ATOM 0 H HIS A 23 7.409 11.551 -4.019 1.00 0.00 H new ATOM 0 HA HIS A 23 9.731 10.685 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.562 9.385 -3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.181 8.369 -4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.553 11.020 -1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.824 8.890 -3.528 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.125 10.617 -1.792 1.00 0.00 H new ATOM 398 N TRP A 24 6.773 10.630 -6.241 1.00 0.00 N ATOM 399 CA TRP A 24 5.712 10.179 -7.121 1.00 0.00 C ATOM 400 C TRP A 24 6.074 10.496 -8.565 1.00 0.00 C ATOM 401 O TRP A 24 5.547 11.430 -9.170 1.00 0.00 O ATOM 402 CB TRP A 24 4.370 10.816 -6.747 1.00 0.00 C ATOM 403 CG TRP A 24 3.202 10.163 -7.426 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.560 10.588 -8.554 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.548 8.953 -7.025 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.543 9.722 -8.871 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.516 8.709 -7.950 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.734 8.053 -5.970 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.674 7.604 -7.854 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.898 6.954 -5.877 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.880 6.739 -6.813 1.00 0.00 C ATOM 0 H TRP A 24 6.656 11.577 -5.880 1.00 0.00 H new ATOM 0 HA TRP A 24 5.604 9.100 -7.008 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.235 10.757 -5.667 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.391 11.874 -7.009 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.815 11.475 -9.114 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.910 9.818 -9.665 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.515 8.213 -5.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.113 7.436 -8.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.033 6.251 -5.069 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.243 5.872 -6.712 1.00 0.00 H new ATOM 422 N ARG A 25 7.028 9.743 -9.089 1.00 0.00 N ATOM 423 CA ARG A 25 7.443 9.876 -10.474 1.00 0.00 C ATOM 424 C ARG A 25 7.666 8.501 -11.065 1.00 0.00 C ATOM 425 O ARG A 25 8.736 7.914 -10.905 1.00 0.00 O ATOM 426 CB ARG A 25 8.724 10.708 -10.607 1.00 0.00 C ATOM 427 CG ARG A 25 8.605 12.118 -10.067 1.00 0.00 C ATOM 428 CD ARG A 25 9.782 12.977 -10.490 1.00 0.00 C ATOM 429 NE ARG A 25 9.774 14.276 -9.822 1.00 0.00 N ATOM 430 CZ ARG A 25 9.711 15.443 -10.460 1.00 0.00 C ATOM 431 NH1 ARG A 25 9.596 15.479 -11.783 1.00 0.00 N ATOM 432 NH2 ARG A 25 9.740 16.578 -9.771 1.00 0.00 N ATOM 0 H ARG A 25 7.533 9.026 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 25 6.652 10.395 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.532 10.197 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.006 10.756 -11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.678 12.568 -10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.547 12.088 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.712 12.457 -10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.755 13.123 -11.570 1.00 0.00 H new ATOM 0 HE ARG A 25 9.820 14.290 -8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.556 14.610 -12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.548 16.376 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.811 16.555 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.692 17.472 -10.259 1.00 0.00 H new ATOM 446 N ASN A 26 6.644 7.986 -11.724 1.00 0.00 N ATOM 447 CA ASN A 26 6.699 6.654 -12.302 1.00 0.00 C ATOM 448 C ASN A 26 7.772 6.601 -13.375 1.00 0.00 C ATOM 449 O ASN A 26 7.665 7.278 -14.403 1.00 0.00 O ATOM 450 CB ASN A 26 5.338 6.268 -12.888 1.00 0.00 C ATOM 451 CG ASN A 26 4.226 6.311 -11.854 1.00 0.00 C ATOM 452 OD1 ASN A 26 4.446 6.069 -10.670 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.020 6.624 -12.297 1.00 0.00 N ATOM 0 H ASN A 26 5.760 8.473 -11.873 1.00 0.00 H new ATOM 0 HA ASN A 26 6.949 5.940 -11.517 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.094 6.944 -13.708 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.399 5.265 -13.310 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.235 6.671 -11.648 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.875 6.819 -13.288 1.00 0.00 H new ATOM 460 N ASP A 27 8.812 5.814 -13.126 1.00 0.00 N ATOM 461 CA ASP A 27 9.947 5.733 -14.037 1.00 0.00 C ATOM 462 C ASP A 27 9.626 4.861 -15.240 1.00 0.00 C ATOM 463 O ASP A 27 10.175 3.771 -15.400 1.00 0.00 O ATOM 464 CB ASP A 27 11.202 5.222 -13.322 1.00 0.00 C ATOM 465 CG ASP A 27 11.894 6.312 -12.528 1.00 0.00 C ATOM 466 OD1 ASP A 27 12.514 7.200 -13.157 1.00 0.00 O ATOM 467 OD2 ASP A 27 11.827 6.293 -11.280 1.00 0.00 O ATOM 0 H ASP A 27 8.893 5.222 -12.299 1.00 0.00 H new ATOM 0 HA ASP A 27 10.149 6.743 -14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.930 4.405 -12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.896 4.814 -14.057 1.00 0.00 H new ATOM 472 N GLU A 28 8.707 5.361 -16.060 1.00 0.00 N ATOM 473 CA GLU A 28 8.315 4.728 -17.314 1.00 0.00 C ATOM 474 C GLU A 28 7.846 3.289 -17.111 1.00 0.00 C ATOM 475 O GLU A 28 8.618 2.344 -17.286 1.00 0.00 O ATOM 476 CB GLU A 28 9.465 4.785 -18.322 1.00 0.00 C ATOM 477 CG GLU A 28 9.072 5.424 -19.642 1.00 0.00 C ATOM 478 CD GLU A 28 8.412 6.774 -19.450 1.00 0.00 C ATOM 479 OE1 GLU A 28 9.135 7.766 -19.224 1.00 0.00 O ATOM 480 OE2 GLU A 28 7.165 6.847 -19.519 1.00 0.00 O ATOM 0 H GLU A 28 8.207 6.229 -15.869 1.00 0.00 H new ATOM 0 HA GLU A 28 7.468 5.288 -17.711 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.293 5.344 -17.887 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.827 3.774 -18.509 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.958 5.540 -20.266 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.391 4.761 -20.176 1.00 0.00 H new ATOM 487 N PRO A 29 6.569 3.105 -16.725 1.00 0.00 N ATOM 488 CA PRO A 29 5.972 1.775 -16.571 1.00 0.00 C ATOM 489 C PRO A 29 5.989 1.010 -17.887 1.00 0.00 C ATOM 490 O PRO A 29 5.153 1.231 -18.765 1.00 0.00 O ATOM 491 CB PRO A 29 4.531 2.061 -16.127 1.00 0.00 C ATOM 492 CG PRO A 29 4.551 3.464 -15.621 1.00 0.00 C ATOM 493 CD PRO A 29 5.609 4.175 -16.413 1.00 0.00 C ATOM 0 HA PRO A 29 6.517 1.156 -15.859 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.834 1.951 -16.958 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.213 1.366 -15.350 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.579 3.940 -15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.777 3.491 -14.555 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.200 4.626 -17.317 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.072 4.977 -15.838 1.00 0.00 H new ATOM 501 N GLN A 30 6.964 0.129 -18.029 1.00 0.00 N ATOM 502 CA GLN A 30 7.176 -0.570 -19.282 1.00 0.00 C ATOM 503 C GLN A 30 6.593 -1.980 -19.226 1.00 0.00 C ATOM 504 O GLN A 30 6.702 -2.661 -18.206 1.00 0.00 O ATOM 505 CB GLN A 30 8.670 -0.613 -19.607 1.00 0.00 C ATOM 506 CG GLN A 30 8.986 -0.215 -21.039 1.00 0.00 C ATOM 507 CD GLN A 30 8.551 1.202 -21.368 1.00 0.00 C ATOM 508 OE1 GLN A 30 8.182 1.497 -22.504 1.00 0.00 O ATOM 509 NE2 GLN A 30 8.599 2.090 -20.384 1.00 0.00 N ATOM 0 H GLN A 30 7.622 -0.119 -17.290 1.00 0.00 H new ATOM 0 HA GLN A 30 6.659 -0.029 -20.075 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.202 0.052 -18.927 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.045 -1.620 -19.426 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.059 -0.309 -21.209 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.493 -0.908 -21.721 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.911 1.806 -19.455 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.324 3.057 -20.556 1.00 0.00 H new ATOM 518 N PRO A 31 5.971 -2.425 -20.335 1.00 0.00 N ATOM 519 CA PRO A 31 5.270 -3.718 -20.422 1.00 0.00 C ATOM 520 C PRO A 31 6.072 -4.913 -19.900 1.00 0.00 C ATOM 521 O PRO A 31 5.490 -5.849 -19.349 1.00 0.00 O ATOM 522 CB PRO A 31 5.013 -3.873 -21.920 1.00 0.00 C ATOM 523 CG PRO A 31 4.907 -2.479 -22.422 1.00 0.00 C ATOM 524 CD PRO A 31 5.878 -1.675 -21.605 1.00 0.00 C ATOM 0 HA PRO A 31 4.376 -3.713 -19.798 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.825 -4.411 -22.409 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.098 -4.435 -22.110 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.151 -2.426 -23.483 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.892 -2.099 -22.309 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.848 -1.598 -22.097 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.520 -0.658 -21.444 1.00 0.00 H new ATOM 532 N HIS A 32 7.402 -4.886 -20.061 1.00 0.00 N ATOM 533 CA HIS A 32 8.244 -6.002 -19.612 1.00 0.00 C ATOM 534 C HIS A 32 8.052 -6.259 -18.117 1.00 0.00 C ATOM 535 O HIS A 32 8.296 -7.362 -17.633 1.00 0.00 O ATOM 536 CB HIS A 32 9.738 -5.772 -19.939 1.00 0.00 C ATOM 537 CG HIS A 32 10.457 -4.775 -19.068 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.751 -3.493 -19.473 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.976 -4.897 -17.820 1.00 0.00 C ATOM 540 CE1 HIS A 32 11.418 -2.872 -18.515 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.567 -3.701 -17.502 1.00 0.00 N ATOM 0 H HIS A 32 7.912 -4.115 -20.492 1.00 0.00 H new ATOM 0 HA HIS A 32 7.925 -6.887 -20.162 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.257 -6.728 -19.868 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.817 -5.443 -20.975 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.932 -5.775 -17.192 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.780 -1.855 -18.556 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.043 -3.488 -16.626 1.00 0.00 H new ATOM 550 N GLN A 33 7.605 -5.235 -17.399 1.00 0.00 N ATOM 551 CA GLN A 33 7.304 -5.364 -15.983 1.00 0.00 C ATOM 552 C GLN A 33 6.127 -6.312 -15.781 1.00 0.00 C ATOM 553 O GLN A 33 6.264 -7.373 -15.175 1.00 0.00 O ATOM 554 CB GLN A 33 6.986 -3.988 -15.391 1.00 0.00 C ATOM 555 CG GLN A 33 6.511 -4.022 -13.946 1.00 0.00 C ATOM 556 CD GLN A 33 6.189 -2.640 -13.413 1.00 0.00 C ATOM 557 OE1 GLN A 33 5.794 -1.751 -14.163 1.00 0.00 O ATOM 558 NE2 GLN A 33 6.357 -2.449 -12.113 1.00 0.00 N ATOM 0 H GLN A 33 7.443 -4.302 -17.779 1.00 0.00 H new ATOM 0 HA GLN A 33 8.174 -5.776 -15.471 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.877 -3.364 -15.453 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.220 -3.511 -16.002 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.625 -4.653 -13.872 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.281 -4.479 -13.324 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.687 -3.213 -11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.156 -1.538 -11.701 1.00 0.00 H new ATOM 567 N PHE A 34 4.984 -5.942 -16.339 1.00 0.00 N ATOM 568 CA PHE A 34 3.750 -6.683 -16.129 1.00 0.00 C ATOM 569 C PHE A 34 3.774 -8.026 -16.853 1.00 0.00 C ATOM 570 O PHE A 34 3.151 -8.985 -16.406 1.00 0.00 O ATOM 571 CB PHE A 34 2.554 -5.859 -16.600 1.00 0.00 C ATOM 572 CG PHE A 34 2.467 -4.506 -15.952 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.985 -4.371 -14.661 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.872 -3.369 -16.635 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.905 -3.127 -14.062 1.00 0.00 C ATOM 576 CE2 PHE A 34 2.795 -2.123 -16.044 1.00 0.00 C ATOM 577 CZ PHE A 34 2.310 -2.002 -14.755 1.00 0.00 C ATOM 0 H PHE A 34 4.886 -5.127 -16.945 1.00 0.00 H new ATOM 0 HA PHE A 34 3.657 -6.878 -15.061 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.613 -5.732 -17.681 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.638 -6.412 -16.393 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.668 -5.247 -14.115 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.252 -3.459 -17.642 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.527 -3.035 -13.055 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.113 -1.245 -16.587 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.248 -1.029 -14.290 1.00 0.00 H new ATOM 587 N ASN A 35 4.499 -8.092 -17.965 1.00 0.00 N ATOM 588 CA ASN A 35 4.578 -9.317 -18.764 1.00 0.00 C ATOM 589 C ASN A 35 5.337 -10.409 -18.029 1.00 0.00 C ATOM 590 O ASN A 35 4.977 -11.583 -18.114 1.00 0.00 O ATOM 591 CB ASN A 35 5.249 -9.039 -20.113 1.00 0.00 C ATOM 592 CG ASN A 35 5.237 -10.248 -21.029 1.00 0.00 C ATOM 593 OD1 ASN A 35 4.273 -11.015 -21.059 1.00 0.00 O ATOM 594 ND2 ASN A 35 6.314 -10.431 -21.776 1.00 0.00 N ATOM 0 H ASN A 35 5.042 -7.312 -18.336 1.00 0.00 H new ATOM 0 HA ASN A 35 3.558 -9.662 -18.936 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.739 -8.210 -20.604 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.279 -8.725 -19.945 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.367 -11.231 -22.407 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.091 -9.772 -21.721 1.00 0.00 H new ATOM 601 N SER A 36 6.380 -10.029 -17.305 1.00 0.00 N ATOM 602 CA SER A 36 7.099 -10.984 -16.480 1.00 0.00 C ATOM 603 C SER A 36 6.144 -11.588 -15.458 1.00 0.00 C ATOM 604 O SER A 36 6.211 -12.781 -15.155 1.00 0.00 O ATOM 605 CB SER A 36 8.280 -10.313 -15.785 1.00 0.00 C ATOM 606 OG SER A 36 9.162 -9.735 -16.733 1.00 0.00 O ATOM 0 H SER A 36 6.743 -9.076 -17.273 1.00 0.00 H new ATOM 0 HA SER A 36 7.493 -11.779 -17.113 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.917 -9.544 -15.103 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.817 -11.046 -15.182 1.00 0.00 H new ATOM 0 HG SER A 36 8.709 -8.999 -17.195 1.00 0.00 H new ATOM 612 N THR A 37 5.253 -10.740 -14.937 1.00 0.00 N ATOM 613 CA THR A 37 4.167 -11.182 -14.070 1.00 0.00 C ATOM 614 C THR A 37 4.708 -11.794 -12.760 1.00 0.00 C ATOM 615 O THR A 37 4.000 -12.478 -12.021 1.00 0.00 O ATOM 616 CB THR A 37 3.249 -12.169 -14.845 1.00 0.00 C ATOM 617 OG1 THR A 37 2.795 -11.549 -16.054 1.00 0.00 O ATOM 618 CG2 THR A 37 2.035 -12.592 -14.031 1.00 0.00 C ATOM 0 H THR A 37 5.267 -9.734 -15.105 1.00 0.00 H new ATOM 0 HA THR A 37 3.568 -10.318 -13.780 1.00 0.00 H new ATOM 0 HB THR A 37 3.840 -13.059 -15.059 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.703 -10.584 -15.912 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.426 -13.281 -14.617 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.364 -13.086 -13.117 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.444 -11.713 -13.776 1.00 0.00 H new ATOM 626 N GLN A 38 5.969 -11.502 -12.459 1.00 0.00 N ATOM 627 CA GLN A 38 6.568 -11.927 -11.199 1.00 0.00 C ATOM 628 C GLN A 38 5.847 -11.274 -10.028 1.00 0.00 C ATOM 629 O GLN A 38 5.474 -10.103 -10.105 1.00 0.00 O ATOM 630 CB GLN A 38 8.053 -11.553 -11.141 1.00 0.00 C ATOM 631 CG GLN A 38 8.945 -12.381 -12.048 1.00 0.00 C ATOM 632 CD GLN A 38 8.897 -13.861 -11.723 1.00 0.00 C ATOM 633 OE1 GLN A 38 8.089 -14.606 -12.276 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.762 -14.300 -10.822 1.00 0.00 N ATOM 0 H GLN A 38 6.594 -10.974 -13.068 1.00 0.00 H new ATOM 0 HA GLN A 38 6.473 -13.011 -11.135 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.161 -10.502 -11.407 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.402 -11.659 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.642 -12.231 -13.084 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.972 -12.027 -11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.417 -13.651 -10.385 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.774 -15.287 -10.565 1.00 0.00 H new ATOM 643 N PRO A 39 5.633 -12.015 -8.933 1.00 0.00 N ATOM 644 CA PRO A 39 5.054 -11.456 -7.714 1.00 0.00 C ATOM 645 C PRO A 39 5.906 -10.302 -7.197 1.00 0.00 C ATOM 646 O PRO A 39 7.100 -10.473 -6.966 1.00 0.00 O ATOM 647 CB PRO A 39 5.064 -12.632 -6.725 1.00 0.00 C ATOM 648 CG PRO A 39 6.021 -13.620 -7.304 1.00 0.00 C ATOM 649 CD PRO A 39 5.935 -13.446 -8.792 1.00 0.00 C ATOM 0 HA PRO A 39 4.054 -11.049 -7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.382 -12.310 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.069 -13.064 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.035 -13.439 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.758 -14.637 -7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.869 -13.713 -9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.155 -14.069 -9.228 1.00 0.00 H new ATOM 657 N PHE A 40 5.294 -9.122 -7.073 1.00 0.00 N ATOM 658 CA PHE A 40 5.999 -7.901 -6.659 1.00 0.00 C ATOM 659 C PHE A 40 6.983 -7.433 -7.738 1.00 0.00 C ATOM 660 O PHE A 40 7.679 -6.435 -7.557 1.00 0.00 O ATOM 661 CB PHE A 40 6.747 -8.105 -5.336 1.00 0.00 C ATOM 662 CG PHE A 40 5.858 -8.361 -4.149 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.293 -7.307 -3.453 1.00 0.00 C ATOM 664 CD2 PHE A 40 5.606 -9.654 -3.717 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.493 -7.535 -2.352 1.00 0.00 C ATOM 666 CE2 PHE A 40 4.804 -9.888 -2.617 1.00 0.00 C ATOM 667 CZ PHE A 40 4.247 -8.826 -1.934 1.00 0.00 C ATOM 0 H PHE A 40 4.300 -8.983 -7.255 1.00 0.00 H new ATOM 0 HA PHE A 40 5.240 -7.132 -6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.434 -8.944 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.353 -7.221 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.480 -6.293 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.042 -10.488 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.060 -6.703 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.613 -10.900 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.619 -9.006 -1.074 1.00 0.00 H new ATOM 677 N PHE A 41 7.022 -8.160 -8.858 1.00 0.00 N ATOM 678 CA PHE A 41 7.931 -7.869 -9.968 1.00 0.00 C ATOM 679 C PHE A 41 9.386 -7.829 -9.501 1.00 0.00 C ATOM 680 O PHE A 41 10.194 -7.071 -10.034 1.00 0.00 O ATOM 681 CB PHE A 41 7.548 -6.547 -10.639 1.00 0.00 C ATOM 682 CG PHE A 41 6.134 -6.527 -11.158 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.725 -7.423 -12.134 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.216 -5.610 -10.672 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.429 -7.404 -12.614 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.918 -5.588 -11.149 1.00 0.00 C ATOM 687 CZ PHE A 41 3.525 -6.485 -12.121 1.00 0.00 C ATOM 0 H PHE A 41 6.422 -8.969 -9.020 1.00 0.00 H new ATOM 0 HA PHE A 41 7.837 -8.674 -10.697 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.676 -5.735 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.233 -6.355 -11.465 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.428 -8.145 -12.524 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.517 -4.904 -9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.124 -8.108 -13.374 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.212 -4.869 -10.761 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.512 -6.468 -12.495 1.00 0.00 H new ATOM 697 N MET A 42 9.711 -8.689 -8.532 1.00 0.00 N ATOM 698 CA MET A 42 11.044 -8.720 -7.918 1.00 0.00 C ATOM 699 C MET A 42 12.131 -8.882 -8.974 1.00 0.00 C ATOM 700 O MET A 42 13.079 -8.104 -9.040 1.00 0.00 O ATOM 701 CB MET A 42 11.163 -9.883 -6.925 1.00 0.00 C ATOM 702 CG MET A 42 9.918 -10.129 -6.097 1.00 0.00 C ATOM 703 SD MET A 42 10.133 -11.454 -4.891 1.00 0.00 S ATOM 704 CE MET A 42 8.454 -11.646 -4.295 1.00 0.00 C ATOM 0 H MET A 42 9.064 -9.380 -8.152 1.00 0.00 H new ATOM 0 HA MET A 42 11.176 -7.772 -7.397 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.404 -10.792 -7.476 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.999 -9.687 -6.253 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.646 -9.211 -5.577 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.089 -10.378 -6.760 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.435 -12.382 -3.491 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.089 -10.690 -3.920 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.815 -11.984 -5.111 1.00 0.00 H new ATOM 714 N ASP A 43 11.972 -9.898 -9.807 1.00 0.00 N ATOM 715 CA ASP A 43 12.976 -10.249 -10.804 1.00 0.00 C ATOM 716 C ASP A 43 12.752 -9.466 -12.092 1.00 0.00 C ATOM 717 O ASP A 43 13.060 -9.950 -13.181 1.00 0.00 O ATOM 718 CB ASP A 43 12.905 -11.746 -11.112 1.00 0.00 C ATOM 719 CG ASP A 43 12.908 -12.600 -9.864 1.00 0.00 C ATOM 720 OD1 ASP A 43 13.996 -12.871 -9.322 1.00 0.00 O ATOM 721 OD2 ASP A 43 11.812 -13.012 -9.423 1.00 0.00 O ATOM 0 H ASP A 43 11.149 -10.501 -9.813 1.00 0.00 H new ATOM 0 HA ASP A 43 13.957 -10.000 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.002 -11.952 -11.686 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.752 -12.024 -11.740 1.00 0.00 H new ATOM 726 N THR A 44 12.221 -8.262 -11.972 1.00 0.00 N ATOM 727 CA THR A 44 11.881 -7.471 -13.143 1.00 0.00 C ATOM 728 C THR A 44 12.132 -5.984 -12.906 1.00 0.00 C ATOM 729 O THR A 44 12.760 -5.308 -13.723 1.00 0.00 O ATOM 730 CB THR A 44 10.405 -7.680 -13.527 1.00 0.00 C ATOM 731 OG1 THR A 44 10.086 -9.080 -13.501 1.00 0.00 O ATOM 732 CG2 THR A 44 10.128 -7.122 -14.911 1.00 0.00 C ATOM 0 H THR A 44 12.016 -7.812 -11.080 1.00 0.00 H new ATOM 0 HA THR A 44 12.523 -7.808 -13.957 1.00 0.00 H new ATOM 0 HB THR A 44 9.783 -7.151 -12.804 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.142 -9.196 -13.267 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.079 -7.280 -15.164 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.348 -6.054 -14.924 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.758 -7.631 -15.641 1.00 0.00 H new ATOM 740 N MET A 45 11.633 -5.483 -11.787 1.00 0.00 N ATOM 741 CA MET A 45 11.762 -4.074 -11.443 1.00 0.00 C ATOM 742 C MET A 45 12.243 -3.951 -10.008 1.00 0.00 C ATOM 743 O MET A 45 12.457 -4.961 -9.337 1.00 0.00 O ATOM 744 CB MET A 45 10.412 -3.364 -11.588 1.00 0.00 C ATOM 745 CG MET A 45 9.799 -3.464 -12.976 1.00 0.00 C ATOM 746 SD MET A 45 10.654 -2.463 -14.204 1.00 0.00 S ATOM 747 CE MET A 45 10.349 -0.814 -13.570 1.00 0.00 C ATOM 0 H MET A 45 11.130 -6.037 -11.094 1.00 0.00 H new ATOM 0 HA MET A 45 12.480 -3.609 -12.118 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.714 -3.784 -10.864 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.539 -2.312 -11.334 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.808 -4.506 -13.296 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.755 -3.155 -12.928 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.439 -0.090 -14.380 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.344 -0.766 -13.150 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.078 -0.582 -12.794 1.00 0.00 H new ATOM 757 N GLU A 46 12.412 -2.727 -9.538 1.00 0.00 N ATOM 758 CA GLU A 46 12.710 -2.506 -8.135 1.00 0.00 C ATOM 759 C GLU A 46 11.466 -2.805 -7.308 1.00 0.00 C ATOM 760 O GLU A 46 10.346 -2.549 -7.753 1.00 0.00 O ATOM 761 CB GLU A 46 13.165 -1.063 -7.874 1.00 0.00 C ATOM 762 CG GLU A 46 14.515 -0.701 -8.472 1.00 0.00 C ATOM 763 CD GLU A 46 14.480 -0.561 -9.978 1.00 0.00 C ATOM 764 OE1 GLU A 46 13.813 0.366 -10.478 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.114 -1.382 -10.672 1.00 0.00 O ATOM 0 H GLU A 46 12.349 -1.879 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 46 13.525 -3.171 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.413 -0.382 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.205 -0.899 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.860 0.236 -8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.242 -1.466 -8.201 1.00 0.00 H new ATOM 772 N PRO A 47 11.639 -3.358 -6.097 1.00 0.00 N ATOM 773 CA PRO A 47 10.518 -3.647 -5.194 1.00 0.00 C ATOM 774 C PRO A 47 9.681 -2.403 -4.900 1.00 0.00 C ATOM 775 O PRO A 47 8.481 -2.493 -4.635 1.00 0.00 O ATOM 776 CB PRO A 47 11.205 -4.146 -3.919 1.00 0.00 C ATOM 777 CG PRO A 47 12.537 -4.639 -4.369 1.00 0.00 C ATOM 778 CD PRO A 47 12.934 -3.762 -5.522 1.00 0.00 C ATOM 0 HA PRO A 47 9.821 -4.366 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.307 -3.346 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.629 -4.941 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.268 -4.579 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.484 -5.684 -4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.515 -2.901 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.546 -4.300 -6.246 1.00 0.00 H new ATOM 786 N LEU A 48 10.324 -1.242 -4.960 1.00 0.00 N ATOM 787 CA LEU A 48 9.646 0.025 -4.723 1.00 0.00 C ATOM 788 C LEU A 48 8.725 0.376 -5.890 1.00 0.00 C ATOM 789 O LEU A 48 7.714 1.042 -5.704 1.00 0.00 O ATOM 790 CB LEU A 48 10.668 1.146 -4.511 1.00 0.00 C ATOM 791 CG LEU A 48 10.082 2.507 -4.128 1.00 0.00 C ATOM 792 CD1 LEU A 48 9.376 2.433 -2.781 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.174 3.566 -4.102 1.00 0.00 C ATOM 0 H LEU A 48 11.318 -1.153 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 48 9.041 -0.080 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.364 0.837 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.247 1.264 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 48 9.345 2.787 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.968 3.412 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.567 1.705 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.088 2.129 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.741 4.528 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.933 3.288 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.631 3.642 -5.089 1.00 0.00 H new ATOM 805 N GLU A 49 9.064 -0.099 -7.086 1.00 0.00 N ATOM 806 CA GLU A 49 8.296 0.231 -8.286 1.00 0.00 C ATOM 807 C GLU A 49 6.937 -0.459 -8.260 1.00 0.00 C ATOM 808 O GLU A 49 5.986 -0.027 -8.913 1.00 0.00 O ATOM 809 CB GLU A 49 9.062 -0.169 -9.551 1.00 0.00 C ATOM 810 CG GLU A 49 10.499 0.329 -9.582 1.00 0.00 C ATOM 811 CD GLU A 49 10.619 1.831 -9.407 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.574 2.305 -8.253 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.782 2.538 -10.423 1.00 0.00 O ATOM 0 H GLU A 49 9.863 -0.712 -7.251 1.00 0.00 H new ATOM 0 HA GLU A 49 8.143 1.310 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.062 -1.256 -9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.534 0.219 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.065 -0.168 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.955 0.043 -10.530 1.00 0.00 H new ATOM 820 N TRP A 50 6.854 -1.540 -7.497 1.00 0.00 N ATOM 821 CA TRP A 50 5.596 -2.232 -7.293 1.00 0.00 C ATOM 822 C TRP A 50 4.700 -1.400 -6.379 1.00 0.00 C ATOM 823 O TRP A 50 3.497 -1.264 -6.611 1.00 0.00 O ATOM 824 CB TRP A 50 5.852 -3.614 -6.689 1.00 0.00 C ATOM 825 CG TRP A 50 4.612 -4.431 -6.505 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.980 -5.185 -7.449 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.857 -4.584 -5.299 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.877 -5.795 -6.905 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.780 -5.439 -5.586 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.987 -4.074 -4.005 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.843 -5.803 -4.626 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.056 -4.434 -3.053 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.995 -5.290 -3.370 1.00 0.00 C ATOM 0 H TRP A 50 7.648 -1.955 -7.009 1.00 0.00 H new ATOM 0 HA TRP A 50 5.093 -2.365 -8.251 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.543 -4.159 -7.332 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.343 -3.493 -5.723 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.300 -5.287 -8.475 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.235 -6.412 -7.402 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.801 -3.410 -3.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.025 -6.467 -4.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.147 -4.050 -2.048 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.280 -5.551 -2.603 1.00 0.00 H new ATOM 844 N LEU A 51 5.309 -0.827 -5.352 1.00 0.00 N ATOM 845 CA LEU A 51 4.614 0.068 -4.434 1.00 0.00 C ATOM 846 C LEU A 51 4.241 1.361 -5.156 1.00 0.00 C ATOM 847 O LEU A 51 3.219 1.980 -4.868 1.00 0.00 O ATOM 848 CB LEU A 51 5.521 0.379 -3.240 1.00 0.00 C ATOM 849 CG LEU A 51 4.870 1.159 -2.098 1.00 0.00 C ATOM 850 CD1 LEU A 51 3.825 0.303 -1.405 1.00 0.00 C ATOM 851 CD2 LEU A 51 5.923 1.628 -1.104 1.00 0.00 C ATOM 0 H LEU A 51 6.295 -0.967 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 51 3.703 -0.414 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.902 -0.562 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.381 0.945 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 51 4.377 2.038 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.369 0.871 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.057 0.015 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.298 -0.592 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.441 2.181 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.443 0.764 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.639 2.275 -1.611 1.00 0.00 H new ATOM 863 N GLN A 52 5.091 1.724 -6.107 1.00 0.00 N ATOM 864 CA GLN A 52 4.977 2.960 -6.874 1.00 0.00 C ATOM 865 C GLN A 52 3.629 3.081 -7.588 1.00 0.00 C ATOM 866 O GLN A 52 2.753 3.828 -7.151 1.00 0.00 O ATOM 867 CB GLN A 52 6.119 3.007 -7.892 1.00 0.00 C ATOM 868 CG GLN A 52 6.225 4.297 -8.681 1.00 0.00 C ATOM 869 CD GLN A 52 7.267 4.200 -9.779 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.961 3.839 -10.915 1.00 0.00 O ATOM 871 NE2 GLN A 52 8.509 4.498 -9.441 1.00 0.00 N ATOM 0 H GLN A 52 5.896 1.157 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 52 5.042 3.801 -6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.060 2.842 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.995 2.180 -8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.256 4.536 -9.119 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.481 5.115 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.721 4.793 -8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.256 4.433 -10.133 1.00 0.00 H new ATOM 880 N TRP A 53 3.455 2.343 -8.678 1.00 0.00 N ATOM 881 CA TRP A 53 2.267 2.509 -9.506 1.00 0.00 C ATOM 882 C TRP A 53 1.485 1.202 -9.652 1.00 0.00 C ATOM 883 O TRP A 53 0.506 1.129 -10.394 1.00 0.00 O ATOM 884 CB TRP A 53 2.661 3.060 -10.884 1.00 0.00 C ATOM 885 CG TRP A 53 1.490 3.493 -11.717 1.00 0.00 C ATOM 886 CD1 TRP A 53 0.596 4.484 -11.424 1.00 0.00 C ATOM 887 CD2 TRP A 53 1.089 2.951 -12.980 1.00 0.00 C ATOM 888 NE1 TRP A 53 -0.340 4.582 -12.423 1.00 0.00 N ATOM 889 CE2 TRP A 53 -0.059 3.655 -13.391 1.00 0.00 C ATOM 890 CE3 TRP A 53 1.588 1.936 -13.801 1.00 0.00 C ATOM 891 CZ2 TRP A 53 -0.712 3.377 -14.588 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.939 1.661 -14.989 1.00 0.00 C ATOM 893 CH2 TRP A 53 -0.202 2.380 -15.373 1.00 0.00 C ATOM 0 H TRP A 53 4.111 1.634 -9.006 1.00 0.00 H new ATOM 0 HA TRP A 53 1.610 3.223 -9.008 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.332 3.908 -10.748 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.218 2.296 -11.426 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.622 5.100 -10.537 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.120 5.240 -12.441 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.465 1.377 -13.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.591 3.929 -14.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.316 0.880 -15.632 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.688 2.142 -16.308 1.00 0.00 H new ATOM 904 N VAL A 54 1.884 0.165 -8.938 1.00 0.00 N ATOM 905 CA VAL A 54 1.158 -1.089 -9.031 1.00 0.00 C ATOM 906 C VAL A 54 0.175 -1.239 -7.878 1.00 0.00 C ATOM 907 O VAL A 54 -1.033 -1.288 -8.100 1.00 0.00 O ATOM 908 CB VAL A 54 2.085 -2.318 -9.073 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.267 -3.586 -9.291 1.00 0.00 C ATOM 910 CG2 VAL A 54 3.138 -2.160 -10.161 1.00 0.00 C ATOM 0 H VAL A 54 2.683 0.163 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 54 0.615 -1.050 -9.975 1.00 0.00 H new ATOM 0 HB VAL A 54 2.600 -2.399 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.933 -4.448 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.554 -3.704 -8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.728 -3.513 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.783 -3.039 -10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.648 -2.055 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.738 -1.273 -9.960 1.00 0.00 H new ATOM 920 N LEU A 55 0.699 -1.278 -6.655 1.00 0.00 N ATOM 921 CA LEU A 55 -0.109 -1.547 -5.465 1.00 0.00 C ATOM 922 C LEU A 55 -1.323 -0.626 -5.358 1.00 0.00 C ATOM 923 O LEU A 55 -2.461 -1.094 -5.386 1.00 0.00 O ATOM 924 CB LEU A 55 0.740 -1.418 -4.197 1.00 0.00 C ATOM 925 CG LEU A 55 -0.013 -1.691 -2.890 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.485 -3.132 -2.832 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.861 -1.370 -1.690 1.00 0.00 C ATOM 0 H LEU A 55 1.689 -1.125 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.475 -2.569 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.580 -2.109 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.157 -0.412 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.888 -1.042 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.017 -3.303 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.153 -3.330 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.375 -3.799 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.308 -1.571 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.757 -1.990 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.147 -0.318 -1.719 1.00 0.00 H new ATOM 939 N ILE A 56 -1.076 0.674 -5.239 1.00 0.00 N ATOM 940 CA ILE A 56 -2.146 1.637 -4.980 1.00 0.00 C ATOM 941 C ILE A 56 -3.283 1.555 -6.018 1.00 0.00 C ATOM 942 O ILE A 56 -4.441 1.383 -5.635 1.00 0.00 O ATOM 943 CB ILE A 56 -1.605 3.087 -4.870 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.568 3.177 -3.745 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.749 4.067 -4.623 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.072 4.541 -3.609 1.00 0.00 C ATOM 0 H ILE A 56 -0.147 1.087 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.570 1.361 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.124 3.354 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.047 2.915 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.212 2.437 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.351 5.079 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.457 4.015 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.256 3.807 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.794 4.524 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.581 4.798 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.697 5.284 -3.399 1.00 0.00 H new ATOM 958 N PRO A 57 -3.001 1.662 -7.337 1.00 0.00 N ATOM 959 CA PRO A 57 -4.052 1.585 -8.362 1.00 0.00 C ATOM 960 C PRO A 57 -4.700 0.201 -8.449 1.00 0.00 C ATOM 961 O PRO A 57 -5.906 0.086 -8.668 1.00 0.00 O ATOM 962 CB PRO A 57 -3.320 1.920 -9.669 1.00 0.00 C ATOM 963 CG PRO A 57 -2.036 2.545 -9.247 1.00 0.00 C ATOM 964 CD PRO A 57 -1.680 1.893 -7.947 1.00 0.00 C ATOM 0 HA PRO A 57 -4.875 2.263 -8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.145 1.023 -10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.906 2.602 -10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.258 2.384 -9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.145 3.623 -9.128 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.133 0.962 -8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.054 2.536 -7.328 1.00 0.00 H new ATOM 972 N ARG A 58 -3.905 -0.847 -8.253 1.00 0.00 N ATOM 973 CA ARG A 58 -4.413 -2.212 -8.352 1.00 0.00 C ATOM 974 C ARG A 58 -5.381 -2.510 -7.212 1.00 0.00 C ATOM 975 O ARG A 58 -6.476 -3.028 -7.433 1.00 0.00 O ATOM 976 CB ARG A 58 -3.266 -3.224 -8.350 1.00 0.00 C ATOM 977 CG ARG A 58 -3.734 -4.666 -8.439 1.00 0.00 C ATOM 978 CD ARG A 58 -2.588 -5.608 -8.765 1.00 0.00 C ATOM 979 NE ARG A 58 -3.027 -7.003 -8.845 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.751 -7.506 -9.851 1.00 0.00 C ATOM 981 NH1 ARG A 58 -4.134 -6.726 -10.858 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.090 -8.790 -9.851 1.00 0.00 N ATOM 0 H ARG A 58 -2.913 -0.779 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.949 -2.302 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.603 -3.012 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.680 -3.096 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.189 -4.960 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.505 -4.752 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.137 -5.315 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.815 -5.515 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.764 -7.631 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.876 -5.739 -10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.686 -7.115 -11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.798 -9.394 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.642 -9.172 -10.619 1.00 0.00 H new ATOM 996 N MET A 59 -4.978 -2.166 -5.992 1.00 0.00 N ATOM 997 CA MET A 59 -5.824 -2.384 -4.823 1.00 0.00 C ATOM 998 C MET A 59 -7.011 -1.435 -4.846 1.00 0.00 C ATOM 999 O MET A 59 -8.031 -1.684 -4.207 1.00 0.00 O ATOM 1000 CB MET A 59 -5.027 -2.194 -3.530 1.00 0.00 C ATOM 1001 CG MET A 59 -3.807 -3.092 -3.431 1.00 0.00 C ATOM 1002 SD MET A 59 -4.208 -4.848 -3.526 1.00 0.00 S ATOM 1003 CE MET A 59 -5.173 -5.051 -2.034 1.00 0.00 C ATOM 0 H MET A 59 -4.075 -1.737 -5.788 1.00 0.00 H new ATOM 0 HA MET A 59 -6.189 -3.411 -4.856 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.709 -1.154 -3.458 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.680 -2.387 -2.679 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.113 -2.841 -4.233 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.293 -2.894 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.286 -6.113 -1.815 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.665 -4.561 -1.203 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.157 -4.603 -2.173 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.875 -0.344 -5.592 1.00 0.00 N ATOM 1014 CA HIS A 60 -7.976 0.586 -5.773 1.00 0.00 C ATOM 1015 C HIS A 60 -9.124 -0.100 -6.489 1.00 0.00 C ATOM 1016 O HIS A 60 -10.266 0.037 -6.090 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.543 1.826 -6.551 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.553 3.072 -5.727 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.711 3.740 -5.385 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.539 3.766 -5.166 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -8.402 4.794 -4.649 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -7.090 4.830 -4.501 1.00 0.00 N ATOM 0 H HIS A 60 -6.016 -0.085 -6.078 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.304 0.909 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.539 1.667 -6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.205 1.959 -7.407 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -9.655 3.465 -5.657 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.488 3.527 -5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.104 5.505 -4.238 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.809 -0.859 -7.534 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.827 -1.603 -8.272 1.00 0.00 C ATOM 1033 C ASP A 61 -10.570 -2.544 -7.330 1.00 0.00 C ATOM 1034 O ASP A 61 -11.790 -2.683 -7.401 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.189 -2.399 -9.415 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.207 -3.161 -10.241 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.898 -2.529 -11.068 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.314 -4.396 -10.077 1.00 0.00 O ATOM 0 H ASP A 61 -7.860 -0.976 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.535 -0.893 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.639 -1.717 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.464 -3.101 -9.002 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.816 -3.158 -6.429 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.373 -4.055 -5.426 1.00 0.00 C ATOM 1045 C LEU A 62 -11.320 -3.302 -4.486 1.00 0.00 C ATOM 1046 O LEU A 62 -12.466 -3.705 -4.276 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.227 -4.685 -4.623 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.643 -5.706 -3.563 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -10.105 -6.998 -4.215 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.500 -5.972 -2.598 1.00 0.00 C ATOM 0 H LEU A 62 -8.803 -3.049 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.945 -4.835 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.543 -5.170 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.669 -3.887 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.478 -5.291 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.396 -7.711 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.958 -6.794 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.292 -7.417 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.816 -6.701 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.644 -6.363 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.219 -5.043 -2.102 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.835 -2.191 -3.945 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.578 -1.417 -2.956 1.00 0.00 C ATOM 1064 C LEU A 63 -12.743 -0.660 -3.584 1.00 0.00 C ATOM 1065 O LEU A 63 -13.822 -0.572 -3.000 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.642 -0.429 -2.264 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.451 -1.061 -1.548 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.513 0.017 -1.041 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.924 -1.937 -0.400 1.00 0.00 C ATOM 0 H LEU A 63 -9.921 -1.802 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.987 -2.118 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.268 0.275 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.218 0.147 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.911 -1.688 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.668 -0.446 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.151 0.609 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.045 0.664 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.062 -2.379 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.485 -1.332 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.565 -2.729 -0.787 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.516 -0.117 -4.770 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.532 0.651 -5.483 1.00 0.00 C ATOM 1083 C ASP A 64 -14.716 -0.229 -5.868 1.00 0.00 C ATOM 1084 O ASP A 64 -15.857 0.233 -5.907 1.00 0.00 O ATOM 1085 CB ASP A 64 -12.931 1.310 -6.729 1.00 0.00 C ATOM 1086 CG ASP A 64 -12.325 2.678 -6.447 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -11.166 2.756 -5.972 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -13.006 3.688 -6.712 1.00 0.00 O ATOM 0 H ASP A 64 -11.628 -0.194 -5.266 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.893 1.432 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.163 0.657 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.706 1.412 -7.489 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.448 -1.502 -6.139 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.517 -2.453 -6.431 1.00 0.00 C ATOM 1095 C ASN A 65 -16.044 -3.080 -5.150 1.00 0.00 C ATOM 1096 O ASN A 65 -16.942 -3.920 -5.188 1.00 0.00 O ATOM 1097 CB ASN A 65 -15.053 -3.551 -7.393 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.978 -3.075 -8.830 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.975 -3.092 -9.554 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.798 -2.668 -9.260 1.00 0.00 N ATOM 0 H ASN A 65 -13.508 -1.898 -6.163 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.320 -1.896 -6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.072 -3.911 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.737 -4.397 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.687 -2.352 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.997 -2.669 -8.629 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.469 -2.665 -4.019 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.922 -3.096 -2.696 1.00 0.00 C ATOM 1109 C LYS A 66 -15.747 -4.598 -2.511 1.00 0.00 C ATOM 1110 O LYS A 66 -16.497 -5.240 -1.773 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.382 -2.686 -2.494 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.583 -1.184 -2.576 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.037 -0.810 -2.789 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.182 0.682 -3.037 1.00 0.00 C ATOM 1115 NZ LYS A 66 -18.333 1.138 -4.172 1.00 0.00 N ATOM 0 H LYS A 66 -14.678 -2.022 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.307 -2.605 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.000 -3.173 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.724 -3.042 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.221 -0.720 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.983 -0.783 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.439 -1.364 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.622 -1.096 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.226 0.916 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.908 1.229 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.844 1.859 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.450 1.545 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.111 0.329 -4.786 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.722 -5.136 -3.154 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.423 -6.556 -3.077 1.00 0.00 C ATOM 1131 C GLN A 67 -13.731 -6.873 -1.753 1.00 0.00 C ATOM 1132 O GLN A 67 -13.055 -6.011 -1.182 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.521 -6.963 -4.243 1.00 0.00 C ATOM 1134 CG GLN A 67 -14.084 -6.607 -5.608 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.145 -6.979 -6.735 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -12.303 -6.185 -7.155 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -13.282 -8.197 -7.230 1.00 0.00 N ATOM 0 H GLN A 67 -14.078 -4.604 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.356 -7.117 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.550 -6.482 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.351 -8.039 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.037 -7.117 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.287 -5.537 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.993 -8.824 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.677 -8.510 -7.989 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.912 -8.098 -1.234 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.251 -8.541 -0.002 1.00 0.00 C ATOM 1148 C PRO A 68 -11.730 -8.476 -0.118 1.00 0.00 C ATOM 1149 O PRO A 68 -11.173 -8.632 -1.207 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.711 -9.995 0.160 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.956 -10.098 -0.653 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.781 -9.142 -1.799 1.00 0.00 C ATOM 0 HA PRO A 68 -13.508 -7.908 0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.950 -10.691 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.902 -10.235 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.104 -11.116 -1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.833 -9.839 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.321 -9.626 -2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.735 -8.735 -2.133 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.062 -8.251 1.003 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.615 -8.121 1.008 1.00 0.00 C ATOM 1162 C LEU A 69 -8.951 -9.492 0.960 1.00 0.00 C ATOM 1163 O LEU A 69 -9.542 -10.495 1.367 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.150 -7.355 2.252 1.00 0.00 C ATOM 1165 CG LEU A 69 -9.593 -5.892 2.321 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.110 -5.246 3.611 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.077 -5.124 1.112 1.00 0.00 C ATOM 0 H LEU A 69 -11.499 -8.155 1.920 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.321 -7.561 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.521 -7.872 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.061 -7.391 2.295 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.683 -5.861 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.435 -4.206 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.527 -5.781 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.022 -5.287 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.400 -4.085 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.988 -5.164 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.473 -5.572 0.200 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.726 -9.563 0.426 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.938 -10.781 0.453 1.00 0.00 C ATOM 1181 C PRO A 70 -6.302 -10.973 1.824 1.00 0.00 C ATOM 1182 O PRO A 70 -5.385 -10.242 2.206 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.871 -10.568 -0.631 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.097 -9.195 -1.192 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.015 -8.474 -0.246 1.00 0.00 C ATOM 0 HA PRO A 70 -7.535 -11.674 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.869 -10.655 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.956 -11.324 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.152 -8.661 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.539 -9.254 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.461 -7.858 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.700 -7.812 -0.776 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.800 -11.957 2.563 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.392 -12.147 3.944 1.00 0.00 C ATOM 1195 C GLY A 71 -5.029 -12.788 4.095 1.00 0.00 C ATOM 1196 O GLY A 71 -4.709 -13.324 5.152 1.00 0.00 O ATOM 0 H GLY A 71 -7.486 -12.633 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.387 -11.180 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.133 -12.766 4.450 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.233 -12.742 3.043 1.00 0.00 N ATOM 1201 CA ALA A 72 -2.873 -13.246 3.088 1.00 0.00 C ATOM 1202 C ALA A 72 -1.949 -12.288 2.355 1.00 0.00 C ATOM 1203 O ALA A 72 -0.833 -12.638 1.972 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.802 -14.638 2.482 1.00 0.00 C ATOM 0 H ALA A 72 -4.508 -12.357 2.139 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.551 -13.317 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.775 -15.001 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.448 -15.313 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.131 -14.600 1.444 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.428 -11.066 2.178 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.686 -10.048 1.460 1.00 0.00 C ATOM 1212 C PHE A 73 -0.846 -9.230 2.436 1.00 0.00 C ATOM 1213 O PHE A 73 -1.281 -8.191 2.925 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.657 -9.146 0.692 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.016 -8.279 -0.357 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.759 -8.782 -1.623 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.691 -6.960 -0.086 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -1.189 -7.986 -2.597 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.119 -6.161 -1.054 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.868 -6.674 -2.311 1.00 0.00 C ATOM 0 H PHE A 73 -3.335 -10.756 2.526 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.015 -10.525 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.412 -9.771 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.177 -8.506 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.007 -9.808 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.888 -6.552 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.995 -8.389 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.868 -5.135 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.421 -6.049 -3.070 1.00 0.00 H new ATOM 1230 N ALA A 74 0.341 -9.729 2.742 1.00 0.00 N ATOM 1231 CA ALA A 74 1.242 -9.044 3.658 1.00 0.00 C ATOM 1232 C ALA A 74 2.354 -8.350 2.887 1.00 0.00 C ATOM 1233 O ALA A 74 2.983 -8.954 2.014 1.00 0.00 O ATOM 1234 CB ALA A 74 1.823 -10.024 4.667 1.00 0.00 C ATOM 0 H ALA A 74 0.704 -10.606 2.370 1.00 0.00 H new ATOM 0 HA ALA A 74 0.675 -8.288 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.494 -9.495 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.015 -10.479 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.377 -10.802 4.141 1.00 0.00 H new ATOM 1240 N VAL A 75 2.599 -7.089 3.207 1.00 0.00 N ATOM 1241 CA VAL A 75 3.591 -6.305 2.483 1.00 0.00 C ATOM 1242 C VAL A 75 4.699 -5.804 3.407 1.00 0.00 C ATOM 1243 O VAL A 75 5.853 -5.682 2.992 1.00 0.00 O ATOM 1244 CB VAL A 75 2.953 -5.105 1.744 1.00 0.00 C ATOM 1245 CG1 VAL A 75 1.970 -5.585 0.688 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.265 -4.159 2.720 1.00 0.00 C ATOM 0 H VAL A 75 2.128 -6.587 3.960 1.00 0.00 H new ATOM 0 HA VAL A 75 4.027 -6.976 1.743 1.00 0.00 H new ATOM 0 HB VAL A 75 3.754 -4.556 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.533 -4.725 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.492 -6.209 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.180 -6.166 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.826 -3.326 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.480 -4.695 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.995 -3.779 3.434 1.00 0.00 H new ATOM 1256 N ALA A 76 4.360 -5.540 4.663 1.00 0.00 N ATOM 1257 CA ALA A 76 5.332 -5.000 5.606 1.00 0.00 C ATOM 1258 C ALA A 76 6.455 -6.006 5.895 1.00 0.00 C ATOM 1259 O ALA A 76 7.630 -5.649 5.798 1.00 0.00 O ATOM 1260 CB ALA A 76 4.654 -4.525 6.889 1.00 0.00 C ATOM 0 H ALA A 76 3.428 -5.689 5.050 1.00 0.00 H new ATOM 0 HA ALA A 76 5.794 -4.129 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.405 -4.128 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.931 -3.745 6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.141 -5.363 7.361 1.00 0.00 H new ATOM 1266 N PRO A 77 6.135 -7.282 6.226 1.00 0.00 N ATOM 1267 CA PRO A 77 7.165 -8.313 6.417 1.00 0.00 C ATOM 1268 C PRO A 77 7.986 -8.545 5.148 1.00 0.00 C ATOM 1269 O PRO A 77 9.138 -8.971 5.205 1.00 0.00 O ATOM 1270 CB PRO A 77 6.365 -9.571 6.771 1.00 0.00 C ATOM 1271 CG PRO A 77 5.047 -9.070 7.249 1.00 0.00 C ATOM 1272 CD PRO A 77 4.780 -7.821 6.465 1.00 0.00 C ATOM 0 HA PRO A 77 7.886 -8.028 7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.249 -10.221 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.868 -10.154 7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.264 -9.810 7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.071 -8.863 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.260 -8.034 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.159 -7.120 7.022 1.00 0.00 H new ATOM 1280 N TYR A 78 7.389 -8.245 4.001 1.00 0.00 N ATOM 1281 CA TYR A 78 8.066 -8.413 2.727 1.00 0.00 C ATOM 1282 C TYR A 78 9.087 -7.300 2.503 1.00 0.00 C ATOM 1283 O TYR A 78 10.242 -7.564 2.163 1.00 0.00 O ATOM 1284 CB TYR A 78 7.064 -8.443 1.570 1.00 0.00 C ATOM 1285 CG TYR A 78 7.734 -8.416 0.215 1.00 0.00 C ATOM 1286 CD1 TYR A 78 8.426 -9.522 -0.260 1.00 0.00 C ATOM 1287 CD2 TYR A 78 7.695 -7.276 -0.579 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.062 -9.492 -1.484 1.00 0.00 C ATOM 1289 CE2 TYR A 78 8.323 -7.241 -1.807 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.005 -8.351 -2.254 1.00 0.00 C ATOM 1291 OH TYR A 78 9.641 -8.314 -3.472 1.00 0.00 O ATOM 0 H TYR A 78 6.438 -7.884 3.930 1.00 0.00 H new ATOM 0 HA TYR A 78 8.590 -9.369 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.451 -9.341 1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.392 -7.589 1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.467 -10.420 0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.164 -6.403 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.602 -10.358 -1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.280 -6.349 -2.414 1.00 0.00 H new ATOM 0 HH TYR A 78 10.149 -9.142 -3.601 1.00 0.00 H new ATOM 1301 N TYR A 79 8.665 -6.054 2.705 1.00 0.00 N ATOM 1302 CA TYR A 79 9.550 -4.911 2.509 1.00 0.00 C ATOM 1303 C TYR A 79 10.620 -4.848 3.591 1.00 0.00 C ATOM 1304 O TYR A 79 11.592 -4.101 3.474 1.00 0.00 O ATOM 1305 CB TYR A 79 8.752 -3.608 2.448 1.00 0.00 C ATOM 1306 CG TYR A 79 8.145 -3.347 1.084 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.859 -2.651 0.116 1.00 0.00 C ATOM 1308 CD2 TYR A 79 6.870 -3.796 0.759 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.323 -2.408 -1.132 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.327 -3.557 -0.490 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.057 -2.863 -1.431 1.00 0.00 C ATOM 1312 OH TYR A 79 6.521 -2.621 -2.675 1.00 0.00 O ATOM 0 H TYR A 79 7.720 -5.812 3.003 1.00 0.00 H new ATOM 0 HA TYR A 79 10.056 -5.042 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.957 -3.640 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.404 -2.776 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.852 -2.294 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.295 -4.340 1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.893 -1.864 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.335 -3.913 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 79 7.235 -2.629 -3.346 1.00 0.00 H new ATOM 1322 N GLU A 80 10.449 -5.652 4.633 1.00 0.00 N ATOM 1323 CA GLU A 80 11.471 -5.803 5.661 1.00 0.00 C ATOM 1324 C GLU A 80 12.720 -6.463 5.064 1.00 0.00 C ATOM 1325 O GLU A 80 13.824 -6.341 5.596 1.00 0.00 O ATOM 1326 CB GLU A 80 10.924 -6.634 6.828 1.00 0.00 C ATOM 1327 CG GLU A 80 11.856 -6.705 8.031 1.00 0.00 C ATOM 1328 CD GLU A 80 12.173 -5.341 8.610 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.402 -4.858 9.465 1.00 0.00 O ATOM 1330 OE2 GLU A 80 13.198 -4.745 8.214 1.00 0.00 O ATOM 0 H GLU A 80 9.610 -6.211 4.789 1.00 0.00 H new ATOM 0 HA GLU A 80 11.747 -4.819 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.970 -6.212 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.724 -7.646 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.399 -7.325 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.784 -7.195 7.737 1.00 0.00 H new ATOM 1337 N MET A 81 12.536 -7.148 3.943 1.00 0.00 N ATOM 1338 CA MET A 81 13.644 -7.782 3.239 1.00 0.00 C ATOM 1339 C MET A 81 13.916 -7.076 1.916 1.00 0.00 C ATOM 1340 O MET A 81 15.055 -6.732 1.605 1.00 0.00 O ATOM 1341 CB MET A 81 13.328 -9.251 2.961 1.00 0.00 C ATOM 1342 CG MET A 81 13.067 -10.079 4.204 1.00 0.00 C ATOM 1343 SD MET A 81 12.555 -11.762 3.807 1.00 0.00 S ATOM 1344 CE MET A 81 11.049 -11.448 2.889 1.00 0.00 C ATOM 0 H MET A 81 11.627 -7.279 3.500 1.00 0.00 H new ATOM 0 HA MET A 81 14.527 -7.711 3.874 1.00 0.00 H new ATOM 0 HB2 MET A 81 12.454 -9.306 2.312 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.160 -9.692 2.413 1.00 0.00 H new ATOM 0 HG2 MET A 81 13.970 -10.110 4.814 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.294 -9.598 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.434 -12.348 2.879 1.00 0.00 H new ATOM 0 HE2 MET A 81 10.497 -10.636 3.363 1.00 0.00 H new ATOM 0 HE3 MET A 81 11.298 -11.168 1.866 1.00 0.00 H new ATOM 1354 N ALA A 82 12.853 -6.865 1.146 1.00 0.00 N ATOM 1355 CA ALA A 82 12.968 -6.316 -0.201 1.00 0.00 C ATOM 1356 C ALA A 82 13.534 -4.899 -0.200 1.00 0.00 C ATOM 1357 O ALA A 82 14.337 -4.543 -1.061 1.00 0.00 O ATOM 1358 CB ALA A 82 11.616 -6.338 -0.892 1.00 0.00 C ATOM 0 H ALA A 82 11.896 -7.068 1.434 1.00 0.00 H new ATOM 0 HA ALA A 82 13.668 -6.946 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.714 -5.926 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.256 -7.365 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.906 -5.739 -0.322 1.00 0.00 H new ATOM 1364 N LEU A 83 13.118 -4.094 0.766 1.00 0.00 N ATOM 1365 CA LEU A 83 13.554 -2.709 0.824 1.00 0.00 C ATOM 1366 C LEU A 83 14.827 -2.591 1.649 1.00 0.00 C ATOM 1367 O LEU A 83 14.912 -3.141 2.750 1.00 0.00 O ATOM 1368 CB LEU A 83 12.454 -1.823 1.414 1.00 0.00 C ATOM 1369 CG LEU A 83 12.736 -0.319 1.380 1.00 0.00 C ATOM 1370 CD1 LEU A 83 12.911 0.161 -0.053 1.00 0.00 C ATOM 1371 CD2 LEU A 83 11.609 0.442 2.064 1.00 0.00 C ATOM 0 H LEU A 83 12.484 -4.374 1.515 1.00 0.00 H new ATOM 0 HA LEU A 83 13.762 -2.370 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.527 -2.014 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 83 12.286 -2.121 2.449 1.00 0.00 H new ATOM 0 HG LEU A 83 13.664 -0.127 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.111 1.233 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.747 -0.365 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.001 -0.040 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.821 1.511 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.670 0.243 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.528 0.118 3.101 1.00 0.00 H new ATOM 1383 N ALA A 84 15.808 -1.880 1.100 1.00 0.00 N ATOM 1384 CA ALA A 84 17.093 -1.685 1.758 1.00 0.00 C ATOM 1385 C ALA A 84 16.911 -1.135 3.167 1.00 0.00 C ATOM 1386 O ALA A 84 16.113 -0.226 3.390 1.00 0.00 O ATOM 1387 CB ALA A 84 17.969 -0.755 0.933 1.00 0.00 C ATOM 0 H ALA A 84 15.734 -1.425 0.190 1.00 0.00 H new ATOM 0 HA ALA A 84 17.585 -2.654 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 84 18.927 -0.617 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.135 -1.191 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.474 0.210 0.824 1.00 0.00 H new ATOM 1393 N THR A 85 17.662 -1.696 4.104 1.00 0.00 N ATOM 1394 CA THR A 85 17.516 -1.385 5.516 1.00 0.00 C ATOM 1395 C THR A 85 18.057 -0.003 5.883 1.00 0.00 C ATOM 1396 O THR A 85 17.805 0.496 6.982 1.00 0.00 O ATOM 1397 CB THR A 85 18.232 -2.455 6.358 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.490 -2.788 5.747 1.00 0.00 O ATOM 1399 CG2 THR A 85 17.379 -3.706 6.481 1.00 0.00 C ATOM 0 H THR A 85 18.391 -2.381 3.904 1.00 0.00 H new ATOM 0 HA THR A 85 16.447 -1.378 5.730 1.00 0.00 H new ATOM 0 HB THR A 85 18.402 -2.052 7.356 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.945 -3.468 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.906 -4.448 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.433 -3.456 6.962 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.185 -4.113 5.489 1.00 0.00 H new ATOM 1407 N ASP A 86 18.787 0.617 4.969 1.00 0.00 N ATOM 1408 CA ASP A 86 19.410 1.904 5.245 1.00 0.00 C ATOM 1409 C ASP A 86 18.498 3.046 4.802 1.00 0.00 C ATOM 1410 O ASP A 86 17.505 2.808 4.109 1.00 0.00 O ATOM 1411 CB ASP A 86 20.772 1.990 4.546 1.00 0.00 C ATOM 1412 CG ASP A 86 21.601 3.164 5.019 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.138 3.107 6.146 1.00 0.00 O ATOM 1414 OD2 ASP A 86 21.717 4.157 4.275 1.00 0.00 O ATOM 0 H ASP A 86 18.963 0.252 4.033 1.00 0.00 H new ATOM 0 HA ASP A 86 19.567 1.996 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.324 1.067 4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 86 20.619 2.070 3.470 1.00 0.00 H new ATOM 1419 N HIS A 87 18.849 4.273 5.204 1.00 0.00 N ATOM 1420 CA HIS A 87 18.053 5.476 4.929 1.00 0.00 C ATOM 1421 C HIS A 87 16.830 5.523 5.853 1.00 0.00 C ATOM 1422 O HIS A 87 15.875 4.770 5.676 1.00 0.00 O ATOM 1423 CB HIS A 87 17.649 5.541 3.446 1.00 0.00 C ATOM 1424 CG HIS A 87 17.100 6.863 3.007 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.806 8.046 3.106 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.912 7.184 2.442 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.077 9.034 2.622 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.924 8.537 2.213 1.00 0.00 N ATOM 0 H HIS A 87 19.700 4.461 5.734 1.00 0.00 H new ATOM 0 HA HIS A 87 18.663 6.355 5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.520 5.303 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.903 4.770 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.106 6.503 2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.373 10.071 2.569 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.164 9.073 1.794 1.00 0.00 H new ATOM 1437 N PRO A 88 16.850 6.441 6.839 1.00 0.00 N ATOM 1438 CA PRO A 88 15.880 6.476 7.956 1.00 0.00 C ATOM 1439 C PRO A 88 14.421 6.578 7.514 1.00 0.00 C ATOM 1440 O PRO A 88 13.518 6.150 8.231 1.00 0.00 O ATOM 1441 CB PRO A 88 16.278 7.732 8.743 1.00 0.00 C ATOM 1442 CG PRO A 88 17.104 8.536 7.801 1.00 0.00 C ATOM 1443 CD PRO A 88 17.822 7.541 6.941 1.00 0.00 C ATOM 0 HA PRO A 88 15.923 5.549 8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.399 8.288 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.842 7.473 9.639 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.480 9.196 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.809 9.168 8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.069 7.955 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.758 7.214 7.395 1.00 0.00 H new ATOM 1451 N GLN A 89 14.192 7.128 6.326 1.00 0.00 N ATOM 1452 CA GLN A 89 12.834 7.314 5.815 1.00 0.00 C ATOM 1453 C GLN A 89 12.143 5.972 5.574 1.00 0.00 C ATOM 1454 O GLN A 89 10.930 5.915 5.368 1.00 0.00 O ATOM 1455 CB GLN A 89 12.858 8.126 4.523 1.00 0.00 C ATOM 1456 CG GLN A 89 13.460 9.512 4.690 1.00 0.00 C ATOM 1457 CD GLN A 89 13.445 10.312 3.405 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.502 9.754 2.309 1.00 0.00 O ATOM 1459 NE2 GLN A 89 13.385 11.625 3.529 1.00 0.00 N ATOM 0 H GLN A 89 14.927 7.453 5.698 1.00 0.00 H new ATOM 0 HA GLN A 89 12.267 7.859 6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.426 7.580 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.840 8.224 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.907 10.054 5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.487 9.418 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.339 12.048 4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.385 12.216 2.698 1.00 0.00 H new ATOM 1468 N ARG A 90 12.927 4.899 5.601 1.00 0.00 N ATOM 1469 CA ARG A 90 12.406 3.548 5.449 1.00 0.00 C ATOM 1470 C ARG A 90 11.347 3.255 6.508 1.00 0.00 C ATOM 1471 O ARG A 90 10.317 2.647 6.218 1.00 0.00 O ATOM 1472 CB ARG A 90 13.548 2.541 5.573 1.00 0.00 C ATOM 1473 CG ARG A 90 13.134 1.103 5.325 1.00 0.00 C ATOM 1474 CD ARG A 90 14.239 0.142 5.721 1.00 0.00 C ATOM 1475 NE ARG A 90 13.934 -1.239 5.356 1.00 0.00 N ATOM 1476 CZ ARG A 90 13.815 -2.233 6.232 1.00 0.00 C ATOM 1477 NH1 ARG A 90 13.994 -2.014 7.527 1.00 0.00 N ATOM 1478 NH2 ARG A 90 13.543 -3.455 5.812 1.00 0.00 N ATOM 0 H ARG A 90 13.938 4.943 5.729 1.00 0.00 H new ATOM 0 HA ARG A 90 11.946 3.462 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.333 2.809 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.979 2.617 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.231 0.878 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.890 0.968 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.169 0.445 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.401 0.203 6.797 1.00 0.00 H new ATOM 0 HE ARG A 90 13.804 -1.455 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.225 -1.077 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.901 -2.782 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.424 -3.637 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.452 -4.217 6.484 1.00 0.00 H new ATOM 1492 N ALA A 91 11.604 3.714 7.730 1.00 0.00 N ATOM 1493 CA ALA A 91 10.699 3.480 8.848 1.00 0.00 C ATOM 1494 C ALA A 91 9.353 4.157 8.612 1.00 0.00 C ATOM 1495 O ALA A 91 8.307 3.613 8.953 1.00 0.00 O ATOM 1496 CB ALA A 91 11.323 3.977 10.142 1.00 0.00 C ATOM 0 H ALA A 91 12.436 4.253 7.970 1.00 0.00 H new ATOM 0 HA ALA A 91 10.527 2.407 8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.637 3.796 10.970 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.258 3.446 10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.523 5.046 10.063 1.00 0.00 H new ATOM 1502 N LEU A 92 9.390 5.341 8.012 1.00 0.00 N ATOM 1503 CA LEU A 92 8.173 6.084 7.704 1.00 0.00 C ATOM 1504 C LEU A 92 7.306 5.298 6.737 1.00 0.00 C ATOM 1505 O LEU A 92 6.085 5.207 6.904 1.00 0.00 O ATOM 1506 CB LEU A 92 8.516 7.442 7.092 1.00 0.00 C ATOM 1507 CG LEU A 92 9.367 8.349 7.974 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.691 9.639 7.243 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.651 8.641 9.283 1.00 0.00 C ATOM 0 H LEU A 92 10.251 5.808 7.728 1.00 0.00 H new ATOM 0 HA LEU A 92 7.625 6.240 8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.042 7.278 6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.588 7.961 6.852 1.00 0.00 H new ATOM 0 HG LEU A 92 10.302 7.837 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.299 10.278 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.242 9.412 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.765 10.156 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.272 9.290 9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.702 9.137 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.464 7.706 9.812 1.00 0.00 H new ATOM 1521 N ILE A 93 7.953 4.726 5.732 1.00 0.00 N ATOM 1522 CA ILE A 93 7.264 3.926 4.738 1.00 0.00 C ATOM 1523 C ILE A 93 6.718 2.653 5.378 1.00 0.00 C ATOM 1524 O ILE A 93 5.559 2.300 5.176 1.00 0.00 O ATOM 1525 CB ILE A 93 8.196 3.568 3.558 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.821 4.844 2.976 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.428 2.807 2.482 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.768 4.601 1.818 1.00 0.00 C ATOM 0 H ILE A 93 8.959 4.804 5.586 1.00 0.00 H new ATOM 0 HA ILE A 93 6.436 4.517 4.346 1.00 0.00 H new ATOM 0 HB ILE A 93 8.995 2.924 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.022 5.507 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.360 5.365 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.100 2.563 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.024 1.887 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.611 3.426 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.165 5.553 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.590 3.965 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.232 4.110 1.006 1.00 0.00 H new ATOM 1540 N LEU A 94 7.552 1.994 6.182 1.00 0.00 N ATOM 1541 CA LEU A 94 7.147 0.780 6.885 1.00 0.00 C ATOM 1542 C LEU A 94 5.965 1.053 7.808 1.00 0.00 C ATOM 1543 O LEU A 94 5.056 0.238 7.921 1.00 0.00 O ATOM 1544 CB LEU A 94 8.314 0.210 7.693 1.00 0.00 C ATOM 1545 CG LEU A 94 9.487 -0.323 6.867 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.615 -0.774 7.782 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.036 -1.471 5.976 1.00 0.00 C ATOM 0 H LEU A 94 8.514 2.282 6.362 1.00 0.00 H new ATOM 0 HA LEU A 94 6.843 0.048 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.686 0.988 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.938 -0.597 8.322 1.00 0.00 H new ATOM 0 HG LEU A 94 9.855 0.482 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.443 -1.151 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.957 0.070 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.255 -1.565 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.884 -1.837 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.644 -2.279 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.257 -1.121 5.298 1.00 0.00 H new ATOM 1559 N ALA A 95 5.978 2.214 8.451 1.00 0.00 N ATOM 1560 CA ALA A 95 4.897 2.607 9.346 1.00 0.00 C ATOM 1561 C ALA A 95 3.565 2.660 8.604 1.00 0.00 C ATOM 1562 O ALA A 95 2.549 2.158 9.096 1.00 0.00 O ATOM 1563 CB ALA A 95 5.203 3.950 9.989 1.00 0.00 C ATOM 0 H ALA A 95 6.727 2.901 8.369 1.00 0.00 H new ATOM 0 HA ALA A 95 4.816 1.855 10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.386 4.229 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.128 3.877 10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.314 4.708 9.213 1.00 0.00 H new ATOM 1569 N GLU A 96 3.572 3.250 7.414 1.00 0.00 N ATOM 1570 CA GLU A 96 2.365 3.324 6.601 1.00 0.00 C ATOM 1571 C GLU A 96 2.029 1.957 6.017 1.00 0.00 C ATOM 1572 O GLU A 96 0.856 1.619 5.840 1.00 0.00 O ATOM 1573 CB GLU A 96 2.509 4.357 5.481 1.00 0.00 C ATOM 1574 CG GLU A 96 2.564 5.792 5.975 1.00 0.00 C ATOM 1575 CD GLU A 96 1.536 6.083 7.049 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.329 6.069 6.746 1.00 0.00 O ATOM 1577 OE2 GLU A 96 1.938 6.328 8.209 1.00 0.00 O ATOM 0 H GLU A 96 4.395 3.681 6.993 1.00 0.00 H new ATOM 0 HA GLU A 96 1.548 3.641 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.416 4.142 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.671 4.251 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.560 5.999 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.405 6.467 5.134 1.00 0.00 H new ATOM 1584 N LEU A 97 3.060 1.173 5.721 1.00 0.00 N ATOM 1585 CA LEU A 97 2.864 -0.185 5.232 1.00 0.00 C ATOM 1586 C LEU A 97 2.168 -1.033 6.281 1.00 0.00 C ATOM 1587 O LEU A 97 1.244 -1.766 5.962 1.00 0.00 O ATOM 1588 CB LEU A 97 4.193 -0.837 4.840 1.00 0.00 C ATOM 1589 CG LEU A 97 4.888 -0.223 3.625 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.179 -0.961 3.322 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.968 -0.241 2.412 1.00 0.00 C ATOM 0 H LEU A 97 4.036 1.454 5.811 1.00 0.00 H new ATOM 0 HA LEU A 97 2.237 -0.125 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.871 -0.782 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.016 -1.894 4.641 1.00 0.00 H new ATOM 0 HG LEU A 97 5.128 0.815 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.661 -0.511 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.846 -0.896 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.959 -2.008 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.482 0.201 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.694 -1.270 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.068 0.333 2.630 1.00 0.00 H new ATOM 1603 N GLU A 98 2.606 -0.916 7.531 1.00 0.00 N ATOM 1604 CA GLU A 98 2.014 -1.684 8.623 1.00 0.00 C ATOM 1605 C GLU A 98 0.555 -1.304 8.839 1.00 0.00 C ATOM 1606 O GLU A 98 -0.262 -2.160 9.173 1.00 0.00 O ATOM 1607 CB GLU A 98 2.800 -1.505 9.920 1.00 0.00 C ATOM 1608 CG GLU A 98 4.212 -2.055 9.852 1.00 0.00 C ATOM 1609 CD GLU A 98 4.880 -2.093 11.207 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.398 -1.045 11.649 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.876 -3.165 11.845 1.00 0.00 O ATOM 0 H GLU A 98 3.367 -0.298 7.813 1.00 0.00 H new ATOM 0 HA GLU A 98 2.059 -2.735 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.843 -0.444 10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.265 -1.999 10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.188 -3.061 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.806 -1.442 9.174 1.00 0.00 H new ATOM 1618 N LYS A 99 0.224 -0.027 8.646 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.171 0.406 8.695 1.00 0.00 C ATOM 1620 C LYS A 99 -2.010 -0.430 7.737 1.00 0.00 C ATOM 1621 O LYS A 99 -3.001 -1.046 8.131 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.310 1.884 8.319 1.00 0.00 C ATOM 1623 CG LYS A 99 -0.974 2.859 9.433 1.00 0.00 C ATOM 1624 CD LYS A 99 -1.257 4.290 8.998 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.936 5.305 10.084 1.00 0.00 C ATOM 1626 NZ LYS A 99 0.525 5.411 10.340 1.00 0.00 N ATOM 0 H LYS A 99 0.895 0.718 8.456 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.523 0.271 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.662 2.090 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.334 2.066 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.560 2.621 10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.076 2.758 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.671 4.518 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.307 4.381 8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.324 6.281 9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.445 5.022 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.716 6.255 10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.851 4.564 10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.031 5.488 9.435 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.579 -0.461 6.483 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.273 -1.197 5.434 1.00 0.00 C ATOM 1642 C LEU A 100 -2.205 -2.702 5.694 1.00 0.00 C ATOM 1643 O LEU A 100 -3.195 -3.419 5.540 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.642 -0.860 4.080 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.326 -1.476 2.861 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.737 -0.935 2.707 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.510 -1.215 1.605 1.00 0.00 C ATOM 0 H LEU A 100 -0.739 0.023 6.164 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.323 -0.905 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.636 0.224 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.602 -1.185 4.093 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.390 -2.554 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.206 -1.386 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.318 -1.177 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.700 0.147 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.012 -1.661 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.413 -0.140 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.520 -1.657 1.716 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.034 -3.153 6.110 1.00 0.00 N ATOM 1660 CA ASP A 101 -0.771 -4.562 6.388 1.00 0.00 C ATOM 1661 C ASP A 101 -1.728 -5.086 7.459 1.00 0.00 C ATOM 1662 O ASP A 101 -2.243 -6.201 7.368 1.00 0.00 O ATOM 1663 CB ASP A 101 0.681 -4.712 6.855 1.00 0.00 C ATOM 1664 CG ASP A 101 1.207 -6.128 6.758 1.00 0.00 C ATOM 1665 OD1 ASP A 101 1.013 -6.904 7.718 1.00 0.00 O ATOM 1666 OD2 ASP A 101 1.852 -6.452 5.736 1.00 0.00 O ATOM 0 H ASP A 101 -0.228 -2.548 6.267 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.928 -5.146 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.315 -4.056 6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.758 -4.375 7.889 1.00 0.00 H new ATOM 1671 N ALA A 102 -1.978 -4.259 8.469 1.00 0.00 N ATOM 1672 CA ALA A 102 -2.891 -4.615 9.546 1.00 0.00 C ATOM 1673 C ALA A 102 -4.338 -4.609 9.065 1.00 0.00 C ATOM 1674 O ALA A 102 -5.183 -5.319 9.609 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.717 -3.667 10.722 1.00 0.00 C ATOM 0 H ALA A 102 -1.558 -3.334 8.563 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.650 -5.627 9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.406 -3.946 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.693 -3.728 11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.927 -2.647 10.401 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.614 -3.825 8.028 1.00 0.00 N ATOM 1682 CA LEU A 103 -5.958 -3.736 7.470 1.00 0.00 C ATOM 1683 C LEU A 103 -6.332 -5.039 6.770 1.00 0.00 C ATOM 1684 O LEU A 103 -7.486 -5.465 6.810 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.064 -2.560 6.493 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.720 -1.189 7.085 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.766 -0.111 6.013 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.662 -0.845 8.229 1.00 0.00 C ATOM 0 H LEU A 103 -3.923 -3.241 7.556 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.656 -3.566 8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.403 -2.750 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.080 -2.524 6.101 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.705 -1.236 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.519 0.854 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.046 -0.346 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.767 -0.067 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.400 0.132 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.688 -0.822 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.574 -1.598 9.012 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.347 -5.686 6.153 1.00 0.00 N ATOM 1701 CA PHE A 104 -5.569 -6.983 5.511 1.00 0.00 C ATOM 1702 C PHE A 104 -5.767 -8.069 6.561 1.00 0.00 C ATOM 1703 O PHE A 104 -6.269 -9.155 6.269 1.00 0.00 O ATOM 1704 CB PHE A 104 -4.400 -7.348 4.594 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.229 -6.399 3.445 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.213 -6.283 2.479 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -3.094 -5.615 3.337 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.067 -5.404 1.426 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -2.943 -4.733 2.287 1.00 0.00 C ATOM 1710 CZ PHE A 104 -3.932 -4.628 1.329 1.00 0.00 C ATOM 0 H PHE A 104 -4.391 -5.337 6.083 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.471 -6.908 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.481 -7.368 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.553 -8.355 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.105 -6.887 2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.317 -5.694 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.842 -5.324 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.053 -4.126 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.816 -3.939 0.505 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.362 -7.771 7.786 1.00 0.00 N ATOM 1721 CA ALA A 105 -5.577 -8.674 8.901 1.00 0.00 C ATOM 1722 C ALA A 105 -6.838 -8.275 9.661 1.00 0.00 C ATOM 1723 O ALA A 105 -7.250 -8.948 10.604 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.372 -8.665 9.829 1.00 0.00 C ATOM 0 H ALA A 105 -4.881 -6.906 8.032 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.706 -9.685 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.548 -9.347 10.661 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.487 -8.984 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.216 -7.657 10.213 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.444 -7.173 9.237 1.00 0.00 N ATOM 1731 CA ASP A 106 -8.632 -6.649 9.898 1.00 0.00 C ATOM 1732 C ASP A 106 -9.894 -7.226 9.272 1.00 0.00 C ATOM 1733 O ASP A 106 -10.894 -7.451 9.958 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.663 -5.121 9.812 1.00 0.00 C ATOM 1735 CG ASP A 106 -9.724 -4.515 10.707 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -9.519 -4.499 11.939 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -10.767 -4.061 10.193 1.00 0.00 O ATOM 0 H ASP A 106 -7.131 -6.624 8.436 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.593 -6.944 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.687 -4.724 10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.847 -4.821 8.780 1.00 0.00 H new ATOM 1742 N ASP A 107 -9.840 -7.463 7.968 1.00 0.00 N ATOM 1743 CA ASP A 107 -10.971 -8.034 7.246 1.00 0.00 C ATOM 1744 C ASP A 107 -11.037 -9.540 7.489 1.00 0.00 C ATOM 1745 O ASP A 107 -10.073 -10.145 7.969 1.00 0.00 O ATOM 1746 CB ASP A 107 -10.855 -7.732 5.745 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.126 -8.058 4.977 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -13.206 -8.141 5.607 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.058 -8.226 3.740 1.00 0.00 O ATOM 0 H ASP A 107 -9.024 -7.269 7.387 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.891 -7.581 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -10.614 -6.678 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.027 -8.304 5.327 1.00 0.00 H new ATOM 1754 N ALA A 108 -12.170 -10.140 7.165 1.00 0.00 N ATOM 1755 CA ALA A 108 -12.384 -11.559 7.399 1.00 0.00 C ATOM 1756 C ALA A 108 -12.029 -12.372 6.160 1.00 0.00 C ATOM 1757 O ALA A 108 -12.270 -11.944 5.030 1.00 0.00 O ATOM 1758 CB ALA A 108 -13.827 -11.815 7.810 1.00 0.00 C ATOM 0 H ALA A 108 -12.962 -9.662 6.736 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.729 -11.875 8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.973 -12.881 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.047 -11.266 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.496 -11.481 7.017 1.00 0.00 H new ATOM 1764 N SER A 109 -11.445 -13.539 6.377 1.00 0.00 N ATOM 1765 CA SER A 109 -11.059 -14.421 5.289 1.00 0.00 C ATOM 1766 C SER A 109 -11.326 -15.877 5.659 1.00 0.00 C ATOM 1767 O SER A 109 -11.952 -16.157 6.685 1.00 0.00 O ATOM 1768 CB SER A 109 -9.581 -14.216 4.956 1.00 0.00 C ATOM 1769 OG SER A 109 -9.337 -12.876 4.563 1.00 0.00 O ATOM 0 H SER A 109 -11.226 -13.899 7.306 1.00 0.00 H new ATOM 0 HA SER A 109 -11.657 -14.179 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.970 -14.463 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.286 -14.894 4.156 1.00 0.00 H new ATOM 0 HG SER A 109 -9.130 -12.848 3.606 1.00 0.00 H new ATOM 1775 N LEU A 110 -10.855 -16.795 4.823 1.00 0.00 N ATOM 1776 CA LEU A 110 -11.072 -18.217 5.049 1.00 0.00 C ATOM 1777 C LEU A 110 -9.994 -18.794 5.961 1.00 0.00 C ATOM 1778 O LEU A 110 -8.914 -18.221 6.103 1.00 0.00 O ATOM 1779 CB LEU A 110 -11.092 -18.973 3.718 1.00 0.00 C ATOM 1780 CG LEU A 110 -12.219 -18.580 2.761 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -12.130 -19.391 1.477 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -13.574 -18.776 3.423 1.00 0.00 C ATOM 0 H LEU A 110 -10.320 -16.579 3.982 1.00 0.00 H new ATOM 0 HA LEU A 110 -12.039 -18.337 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.138 -18.815 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.170 -20.040 3.926 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.109 -17.525 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -12.938 -19.100 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -11.172 -19.203 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -12.216 -20.452 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -14.363 -18.491 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -13.695 -19.823 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -13.636 -18.154 4.316 1.00 0.00 H new ATOM 1794 N GLU A 111 -10.295 -19.943 6.552 1.00 0.00 N ATOM 1795 CA GLU A 111 -9.389 -20.606 7.484 1.00 0.00 C ATOM 1796 C GLU A 111 -8.099 -21.028 6.788 1.00 0.00 C ATOM 1797 O GLU A 111 -7.024 -21.048 7.393 1.00 0.00 O ATOM 1798 CB GLU A 111 -10.061 -21.849 8.059 1.00 0.00 C ATOM 1799 CG GLU A 111 -11.430 -21.604 8.669 1.00 0.00 C ATOM 1800 CD GLU A 111 -12.141 -22.902 8.981 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -11.966 -23.429 10.099 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -12.851 -23.421 8.094 1.00 0.00 O ATOM 0 H GLU A 111 -11.172 -20.442 6.400 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.150 -19.900 8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.158 -22.592 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.410 -22.278 8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.323 -21.019 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.035 -21.013 7.981 1.00 0.00 H new ATOM 1809 N HIS A 112 -8.222 -21.362 5.509 1.00 0.00 N ATOM 1810 CA HIS A 112 -7.110 -21.908 4.737 1.00 0.00 C ATOM 1811 C HIS A 112 -6.081 -20.829 4.384 1.00 0.00 C ATOM 1812 O HIS A 112 -5.046 -21.121 3.788 1.00 0.00 O ATOM 1813 CB HIS A 112 -7.645 -22.583 3.469 1.00 0.00 C ATOM 1814 CG HIS A 112 -6.646 -23.460 2.773 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -6.361 -24.746 3.174 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -5.869 -23.229 1.688 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -5.452 -25.264 2.371 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -5.136 -24.365 1.456 1.00 0.00 N ATOM 0 H HIS A 112 -9.088 -21.263 4.980 1.00 0.00 H new ATOM 0 HA HIS A 112 -6.599 -22.649 5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -8.518 -23.181 3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -7.982 -21.813 2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -5.833 -22.317 1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -5.035 -26.257 2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -4.460 -24.494 0.703 1.00 0.00 H new ATOM 1827 N HIS A 113 -6.361 -19.584 4.743 1.00 0.00 N ATOM 1828 CA HIS A 113 -5.415 -18.500 4.509 1.00 0.00 C ATOM 1829 C HIS A 113 -5.252 -17.653 5.759 1.00 0.00 C ATOM 1830 O HIS A 113 -6.148 -16.899 6.134 1.00 0.00 O ATOM 1831 CB HIS A 113 -5.849 -17.622 3.331 1.00 0.00 C ATOM 1832 CG HIS A 113 -5.806 -18.323 2.008 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -4.655 -18.467 1.262 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -6.784 -18.934 1.302 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -4.930 -19.133 0.157 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -6.213 -19.430 0.158 1.00 0.00 N ATOM 0 H HIS A 113 -7.230 -19.300 5.195 1.00 0.00 H new ATOM 0 HA HIS A 113 -4.455 -18.951 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -6.863 -17.265 3.510 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -5.205 -16.744 3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -7.823 -19.016 1.586 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -4.223 -19.391 -0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -6.703 -19.945 -0.573 1.00 0.00 H new ATOM 1845 N HIS A 114 -4.108 -17.793 6.409 1.00 0.00 N ATOM 1846 CA HIS A 114 -3.819 -17.029 7.613 1.00 0.00 C ATOM 1847 C HIS A 114 -3.273 -15.660 7.232 1.00 0.00 C ATOM 1848 O HIS A 114 -2.654 -15.506 6.180 1.00 0.00 O ATOM 1849 CB HIS A 114 -2.833 -17.785 8.511 1.00 0.00 C ATOM 1850 CG HIS A 114 -3.387 -19.069 9.056 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -3.853 -19.204 10.346 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -3.560 -20.281 8.471 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -4.287 -20.437 10.529 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -4.122 -21.110 9.408 1.00 0.00 N ATOM 0 H HIS A 114 -3.363 -18.429 6.123 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.741 -16.892 8.178 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.928 -18.000 7.943 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -2.543 -17.142 9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -3.303 -20.544 7.456 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -4.707 -20.829 11.444 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -4.372 -22.088 9.261 1.00 0.00 H new ATOM 1863 N HIS A 115 -3.485 -14.678 8.095 1.00 0.00 N ATOM 1864 CA HIS A 115 -3.197 -13.287 7.755 1.00 0.00 C ATOM 1865 C HIS A 115 -1.751 -12.930 8.078 1.00 0.00 C ATOM 1866 O HIS A 115 -1.327 -11.788 7.908 1.00 0.00 O ATOM 1867 CB HIS A 115 -4.151 -12.342 8.496 1.00 0.00 C ATOM 1868 CG HIS A 115 -5.599 -12.542 8.155 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -6.330 -11.647 7.403 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -6.464 -13.531 8.494 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -7.574 -12.074 7.298 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -7.683 -13.214 7.950 1.00 0.00 N ATOM 0 H HIS A 115 -3.855 -14.815 9.036 1.00 0.00 H new ATOM 0 HA HIS A 115 -3.347 -13.169 6.682 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -4.019 -12.478 9.569 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -3.874 -11.312 8.269 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -5.966 -10.788 6.992 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.235 -14.406 9.083 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.370 -11.573 6.767 1.00 0.00 H new ATOM 1881 N HIS A 116 -1.001 -13.913 8.552 1.00 0.00 N ATOM 1882 CA HIS A 116 0.405 -13.721 8.864 1.00 0.00 C ATOM 1883 C HIS A 116 1.198 -14.980 8.567 1.00 0.00 C ATOM 1884 O HIS A 116 0.629 -16.056 8.372 1.00 0.00 O ATOM 1885 CB HIS A 116 0.598 -13.319 10.327 1.00 0.00 C ATOM 1886 CG HIS A 116 0.684 -11.840 10.531 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -0.371 -11.070 10.970 1.00 0.00 N ATOM 1888 CD2 HIS A 116 1.719 -10.986 10.355 1.00 0.00 C ATOM 1889 CE1 HIS A 116 0.012 -9.811 11.053 1.00 0.00 C ATOM 1890 NE2 HIS A 116 1.278 -9.731 10.685 1.00 0.00 N ATOM 0 H HIS A 116 -1.346 -14.856 8.729 1.00 0.00 H new ATOM 0 HA HIS A 116 0.774 -12.913 8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -0.231 -13.712 10.916 1.00 0.00 H new ATOM 0 HB3 HIS A 116 1.508 -13.784 10.707 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.711 -11.246 10.016 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -0.606 -8.984 11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.835 -8.877 10.652 1.00 0.00 H new ATOM 1899 N HIS A 117 2.509 -14.831 8.528 1.00 0.00 N ATOM 1900 CA HIS A 117 3.407 -15.941 8.277 1.00 0.00 C ATOM 1901 C HIS A 117 4.728 -15.665 8.976 1.00 0.00 C ATOM 1902 O HIS A 117 5.575 -14.966 8.382 1.00 0.00 O ATOM 1903 CB HIS A 117 3.624 -16.124 6.769 1.00 0.00 C ATOM 1904 CG HIS A 117 4.377 -17.368 6.397 1.00 0.00 C ATOM 1905 ND1 HIS A 117 3.810 -18.398 5.680 1.00 0.00 N ATOM 1906 CD2 HIS A 117 5.661 -17.738 6.627 1.00 0.00 C ATOM 1907 CE1 HIS A 117 4.708 -19.347 5.487 1.00 0.00 C ATOM 1908 NE2 HIS A 117 5.840 -18.970 6.050 1.00 0.00 N ATOM 1909 OXT HIS A 117 4.903 -16.123 10.120 1.00 0.00 O ATOM 0 H HIS A 117 2.980 -13.938 8.669 1.00 0.00 H new ATOM 0 HA HIS A 117 2.972 -16.862 8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.653 -16.140 6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.164 -15.259 6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.405 -17.169 7.165 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.544 -20.274 4.958 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.707 -19.507 6.055 1.00 0.00 H new TER 1918 HIS A 117