USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 83 HIS : no HE2:sc= 0.835 K(o=0.84,f=-2.7!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot -153:sc= 1.3 USER MOD Set 2.2: A 67 SER OG : rot 71:sc= 1.2 USER MOD Set 3.1: A 4 TYR OH : rot 171:sc= 1.24 USER MOD Set 3.2: A 54 GLN : amide:sc= 1.02 K(o=2.3,f=-1.3) USER MOD Set 4.1: A 13 GLN : amide:sc= 1.91 K(o=2.5,f=-0.72) USER MOD Set 4.2: A 36 ASN : amide:sc= 0.585 K(o=2.5,f=-4.8!) USER MOD Set 5.1: A 22 GLN : amide:sc= 0.947 K(o=0.93,f=-0.87) USER MOD Set 5.2: A 23 MET CE :methyl 167:sc= -0.0146 (180deg=-0.603) USER MOD Set 6.1: A 3 GLN : amide:sc= 1.98 K(o=3,f=0.099) USER MOD Set 6.2: A 77 SER OG : rot 140:sc= 0.984 USER MOD Single : A 1 MET CE :methyl -165:sc=-0.00545 (180deg=-0.484) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0362 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 1.87 (180deg=0.884) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -69:sc= 1.72 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 1.27 K(o=1.3,f=-6.5!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -90:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.384 -13.254 -0.670 1.00 0.00 N ATOM 2 CA MET A 1 -5.277 -13.443 0.304 1.00 0.00 C ATOM 3 C MET A 1 -5.850 -13.740 1.693 1.00 0.00 C ATOM 4 O MET A 1 -6.903 -13.214 2.060 1.00 0.00 O ATOM 5 CB MET A 1 -4.326 -12.230 0.352 1.00 0.00 C ATOM 6 CG MET A 1 -3.461 -12.088 -0.909 1.00 0.00 C ATOM 7 SD MET A 1 -2.319 -13.465 -1.242 1.00 0.00 S ATOM 8 CE MET A 1 -1.028 -13.121 -0.014 1.00 0.00 C ATOM 0 H1 MET A 1 -6.450 -14.089 -1.286 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.280 -13.130 -0.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.197 -12.411 -1.249 1.00 0.00 H new ATOM 0 HA MET A 1 -4.683 -14.294 -0.030 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.913 -11.321 0.486 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.676 -12.321 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.121 -11.972 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.880 -11.170 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.136 -13.700 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.786 -12.058 -0.028 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.386 -13.398 0.978 1.00 0.00 H new ATOM 20 N LEU A 2 -5.181 -14.604 2.462 1.00 0.00 N ATOM 21 CA LEU A 2 -5.700 -15.217 3.683 1.00 0.00 C ATOM 22 C LEU A 2 -4.545 -15.407 4.677 1.00 0.00 C ATOM 23 O LEU A 2 -3.377 -15.397 4.275 1.00 0.00 O ATOM 24 CB LEU A 2 -6.335 -16.565 3.265 1.00 0.00 C ATOM 25 CG LEU A 2 -7.028 -17.389 4.368 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.221 -16.623 4.936 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.539 -18.709 3.789 1.00 0.00 C ATOM 0 H LEU A 2 -4.231 -14.904 2.242 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.450 -14.598 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.067 -16.365 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.554 -17.183 2.822 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.301 -17.578 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.699 -17.219 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.879 -15.679 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.938 -16.423 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.027 -19.286 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.253 -18.504 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.701 -19.279 3.388 1.00 0.00 H new ATOM 39 N GLN A 3 -4.866 -15.609 5.958 1.00 0.00 N ATOM 40 CA GLN A 3 -3.923 -15.909 7.028 1.00 0.00 C ATOM 41 C GLN A 3 -4.429 -17.162 7.748 1.00 0.00 C ATOM 42 O GLN A 3 -5.621 -17.264 8.042 1.00 0.00 O ATOM 43 CB GLN A 3 -3.859 -14.703 7.983 1.00 0.00 C ATOM 44 CG GLN A 3 -2.978 -14.897 9.229 1.00 0.00 C ATOM 45 CD GLN A 3 -3.102 -13.715 10.193 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.885 -13.754 11.140 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.350 -12.645 9.993 1.00 0.00 N ATOM 0 H GLN A 3 -5.831 -15.565 6.287 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.919 -16.092 6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.490 -13.840 7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.872 -14.464 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.266 -15.816 9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.937 -15.013 8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.702 -12.617 9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.418 -11.848 10.626 1.00 0.00 H new ATOM 56 N TYR A 4 -3.518 -18.075 8.083 1.00 0.00 N ATOM 57 CA TYR A 4 -3.742 -19.239 8.932 1.00 0.00 C ATOM 58 C TYR A 4 -2.824 -19.132 10.151 1.00 0.00 C ATOM 59 O TYR A 4 -1.751 -18.527 10.091 1.00 0.00 O ATOM 60 CB TYR A 4 -3.434 -20.553 8.177 1.00 0.00 C ATOM 61 CG TYR A 4 -4.520 -21.191 7.316 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.760 -20.567 7.073 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.290 -22.481 6.792 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.759 -21.223 6.336 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.278 -23.138 6.036 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.525 -22.512 5.812 1.00 0.00 C ATOM 67 OH TYR A 4 -7.510 -23.136 5.113 1.00 0.00 O ATOM 0 H TYR A 4 -2.555 -18.017 7.751 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.789 -19.259 9.233 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.573 -20.368 7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.126 -21.292 8.917 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.944 -19.575 7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.344 -22.970 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.710 -20.739 6.170 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.084 -24.119 5.628 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.152 -23.947 4.696 1.00 0.00 H new ATOM 77 N ARG A 5 -3.211 -19.813 11.229 1.00 0.00 N ATOM 78 CA ARG A 5 -2.337 -20.202 12.328 1.00 0.00 C ATOM 79 C ARG A 5 -2.463 -21.716 12.409 1.00 0.00 C ATOM 80 O ARG A 5 -3.562 -22.244 12.232 1.00 0.00 O ATOM 81 CB ARG A 5 -2.770 -19.514 13.635 1.00 0.00 C ATOM 82 CG ARG A 5 -1.800 -19.775 14.806 1.00 0.00 C ATOM 83 CD ARG A 5 -2.375 -19.298 16.148 1.00 0.00 C ATOM 84 NE ARG A 5 -2.652 -17.849 16.152 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.811 -16.870 16.518 1.00 0.00 C ATOM 86 NH1 ARG A 5 -0.609 -17.133 17.021 1.00 0.00 N ATOM 87 NH2 ARG A 5 -2.189 -15.603 16.368 1.00 0.00 N ATOM 0 H ARG A 5 -4.175 -20.118 11.363 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.302 -19.900 12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.845 -18.440 13.466 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.765 -19.864 13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.581 -20.841 14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.856 -19.265 14.615 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.295 -19.843 16.361 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.672 -19.534 16.947 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.581 -17.561 15.844 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.305 -18.100 17.137 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.010 -16.368 17.291 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.107 -15.387 15.979 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.561 -14.848 16.642 1.00 0.00 H new ATOM 101 N ILE A 6 -1.362 -22.417 12.641 1.00 0.00 N ATOM 102 CA ILE A 6 -1.321 -23.873 12.677 1.00 0.00 C ATOM 103 C ILE A 6 -0.563 -24.233 13.952 1.00 0.00 C ATOM 104 O ILE A 6 0.383 -23.537 14.326 1.00 0.00 O ATOM 105 CB ILE A 6 -0.662 -24.434 11.389 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.319 -23.902 10.088 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.664 -25.972 11.389 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.539 -24.227 8.808 1.00 0.00 C ATOM 0 H ILE A 6 -0.455 -21.982 12.813 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.315 -24.320 12.699 1.00 0.00 H new ATOM 0 HB ILE A 6 0.367 -24.076 11.399 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.322 -24.320 10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.430 -22.821 10.167 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.196 -26.336 10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.107 -26.337 12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.691 -26.335 11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.068 -23.819 7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.456 -23.785 8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.450 -25.308 8.701 1.00 0.00 H new ATOM 120 N ILE A 7 -0.961 -25.321 14.604 1.00 0.00 N ATOM 121 CA ILE A 7 -0.344 -25.859 15.810 1.00 0.00 C ATOM 122 C ILE A 7 -0.098 -27.336 15.498 1.00 0.00 C ATOM 123 O ILE A 7 -0.959 -27.969 14.885 1.00 0.00 O ATOM 124 CB ILE A 7 -1.288 -25.659 17.022 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.770 -24.202 17.237 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.634 -26.192 18.308 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.673 -23.206 17.622 1.00 0.00 C ATOM 0 H ILE A 7 -1.758 -25.876 14.292 1.00 0.00 H new ATOM 0 HA ILE A 7 0.588 -25.359 16.076 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.183 -26.234 16.784 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.249 -23.855 16.321 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.532 -24.199 18.016 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.311 -26.043 19.149 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.423 -27.256 18.195 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.297 -25.655 18.492 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.110 -22.215 17.750 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.207 -23.521 18.556 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.080 -23.172 16.835 1.00 0.00 H new ATOM 139 N VAL A 8 1.057 -27.884 15.879 1.00 0.00 N ATOM 140 CA VAL A 8 1.469 -29.236 15.497 1.00 0.00 C ATOM 141 C VAL A 8 2.103 -29.915 16.711 1.00 0.00 C ATOM 142 O VAL A 8 2.771 -29.246 17.503 1.00 0.00 O ATOM 143 CB VAL A 8 2.460 -29.197 14.305 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.382 -30.503 13.510 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.268 -28.033 13.316 1.00 0.00 C ATOM 0 H VAL A 8 1.737 -27.399 16.465 1.00 0.00 H new ATOM 0 HA VAL A 8 0.597 -29.805 15.174 1.00 0.00 H new ATOM 0 HB VAL A 8 3.433 -29.051 14.774 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.082 -30.463 12.676 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.638 -31.340 14.159 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.370 -30.637 13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.013 -28.103 12.523 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.270 -28.086 12.882 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.385 -27.086 13.842 1.00 0.00 H new ATOM 155 N ASP A 9 1.945 -31.232 16.846 1.00 0.00 N ATOM 156 CA ASP A 9 2.515 -32.027 17.932 1.00 0.00 C ATOM 157 C ASP A 9 2.983 -33.383 17.398 1.00 0.00 C ATOM 158 O ASP A 9 2.527 -33.828 16.341 1.00 0.00 O ATOM 159 CB ASP A 9 1.470 -32.229 19.038 1.00 0.00 C ATOM 160 CG ASP A 9 2.043 -32.948 20.273 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.223 -32.724 20.624 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.303 -33.733 20.908 1.00 0.00 O ATOM 0 H ASP A 9 1.403 -31.789 16.186 1.00 0.00 H new ATOM 0 HA ASP A 9 3.372 -31.497 18.348 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.073 -31.259 19.339 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.635 -32.806 18.642 1.00 0.00 H new ATOM 167 N GLY A 10 3.906 -34.026 18.114 1.00 0.00 N ATOM 168 CA GLY A 10 4.538 -35.288 17.757 1.00 0.00 C ATOM 169 C GLY A 10 6.037 -35.199 18.036 1.00 0.00 C ATOM 170 O GLY A 10 6.478 -34.343 18.809 1.00 0.00 O ATOM 0 H GLY A 10 4.247 -33.659 19.002 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.098 -36.103 18.331 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.365 -35.509 16.704 1.00 0.00 H new ATOM 174 N ARG A 11 6.844 -36.033 17.373 1.00 0.00 N ATOM 175 CA ARG A 11 8.271 -35.751 17.210 1.00 0.00 C ATOM 176 C ARG A 11 8.376 -34.608 16.203 1.00 0.00 C ATOM 177 O ARG A 11 8.501 -34.848 15.000 1.00 0.00 O ATOM 178 CB ARG A 11 9.060 -37.006 16.792 1.00 0.00 C ATOM 179 CG ARG A 11 10.576 -36.735 16.793 1.00 0.00 C ATOM 180 CD ARG A 11 11.412 -37.974 16.450 1.00 0.00 C ATOM 181 NE ARG A 11 11.246 -38.403 15.047 1.00 0.00 N ATOM 182 CZ ARG A 11 10.719 -39.554 14.610 1.00 0.00 C ATOM 183 NH1 ARG A 11 10.178 -40.434 15.449 1.00 0.00 N ATOM 184 NH2 ARG A 11 10.741 -39.806 13.307 1.00 0.00 N ATOM 0 H ARG A 11 6.534 -36.904 16.943 1.00 0.00 H new ATOM 0 HA ARG A 11 8.725 -35.452 18.155 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.834 -37.825 17.474 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.745 -37.323 15.798 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.798 -35.945 16.075 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.872 -36.366 17.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.464 -37.761 16.638 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.129 -38.793 17.112 1.00 0.00 H new ATOM 0 HE ARG A 11 11.568 -37.751 14.332 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.158 -40.239 16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.783 -41.304 15.091 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.153 -39.130 12.664 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.346 -40.676 12.949 1.00 0.00 H new ATOM 198 N VAL A 12 8.263 -33.376 16.692 1.00 0.00 N ATOM 199 CA VAL A 12 8.261 -32.159 15.885 1.00 0.00 C ATOM 200 C VAL A 12 9.274 -31.146 16.446 1.00 0.00 C ATOM 201 O VAL A 12 9.166 -29.950 16.186 1.00 0.00 O ATOM 202 CB VAL A 12 6.818 -31.604 15.751 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.877 -32.624 15.086 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.192 -31.176 17.090 1.00 0.00 C ATOM 0 H VAL A 12 8.167 -33.191 17.691 1.00 0.00 H new ATOM 0 HA VAL A 12 8.591 -32.382 14.870 1.00 0.00 H new ATOM 0 HB VAL A 12 6.924 -30.718 15.125 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.876 -32.200 15.010 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.247 -32.864 14.089 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.841 -33.532 15.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.184 -30.799 16.916 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.148 -32.033 17.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.800 -30.392 17.542 1.00 0.00 H new ATOM 214 N GLN A 13 10.247 -31.601 17.245 1.00 0.00 N ATOM 215 CA GLN A 13 11.277 -30.749 17.829 1.00 0.00 C ATOM 216 C GLN A 13 12.625 -31.449 17.733 1.00 0.00 C ATOM 217 O GLN A 13 12.705 -32.665 17.935 1.00 0.00 O ATOM 218 CB GLN A 13 10.983 -30.432 19.308 1.00 0.00 C ATOM 219 CG GLN A 13 9.537 -30.027 19.626 1.00 0.00 C ATOM 220 CD GLN A 13 9.446 -29.266 20.951 1.00 0.00 C ATOM 221 OE1 GLN A 13 9.863 -29.751 22.001 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.919 -28.053 20.925 1.00 0.00 N ATOM 0 H GLN A 13 10.338 -32.583 17.504 1.00 0.00 H new ATOM 0 HA GLN A 13 11.290 -29.811 17.274 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.236 -31.308 19.906 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.645 -29.627 19.627 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.147 -29.405 18.820 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.911 -30.918 19.673 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.577 -27.664 20.046 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.854 -27.507 21.784 1.00 0.00 H new ATOM 231 N GLY A 14 13.681 -30.678 17.486 1.00 0.00 N ATOM 232 CA GLY A 14 15.031 -31.201 17.386 1.00 0.00 C ATOM 233 C GLY A 14 15.189 -32.075 16.143 1.00 0.00 C ATOM 234 O GLY A 14 15.947 -33.048 16.174 1.00 0.00 O ATOM 0 H GLY A 14 13.619 -29.669 17.350 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.742 -30.376 17.348 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.266 -31.784 18.277 1.00 0.00 H new ATOM 238 N VAL A 15 14.469 -31.753 15.067 1.00 0.00 N ATOM 239 CA VAL A 15 14.496 -32.478 13.798 1.00 0.00 C ATOM 240 C VAL A 15 14.716 -31.519 12.618 1.00 0.00 C ATOM 241 O VAL A 15 14.945 -31.983 11.500 1.00 0.00 O ATOM 242 CB VAL A 15 13.232 -33.358 13.626 1.00 0.00 C ATOM 243 CG1 VAL A 15 13.208 -34.524 14.627 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.914 -32.578 13.742 1.00 0.00 C ATOM 0 H VAL A 15 13.832 -30.956 15.055 1.00 0.00 H new ATOM 0 HA VAL A 15 15.347 -33.159 13.811 1.00 0.00 H new ATOM 0 HB VAL A 15 13.303 -33.743 12.609 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.306 -35.117 14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.086 -35.152 14.475 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.215 -34.131 15.644 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.074 -33.261 13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.852 -32.112 14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.879 -31.807 12.972 1.00 0.00 H new ATOM 254 N GLY A 16 14.702 -30.204 12.845 1.00 0.00 N ATOM 255 CA GLY A 16 14.753 -29.195 11.808 1.00 0.00 C ATOM 256 C GLY A 16 13.337 -28.859 11.356 1.00 0.00 C ATOM 257 O GLY A 16 13.164 -28.465 10.202 1.00 0.00 O ATOM 0 H GLY A 16 14.653 -29.810 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.249 -28.299 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.340 -29.556 10.963 1.00 0.00 H new ATOM 261 N PHE A 17 12.321 -29.064 12.203 1.00 0.00 N ATOM 262 CA PHE A 17 10.929 -28.898 11.816 1.00 0.00 C ATOM 263 C PHE A 17 10.703 -27.480 11.298 1.00 0.00 C ATOM 264 O PHE A 17 10.091 -27.313 10.244 1.00 0.00 O ATOM 265 CB PHE A 17 9.975 -29.230 12.975 1.00 0.00 C ATOM 266 CG PHE A 17 8.578 -29.620 12.517 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.619 -28.642 12.195 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.239 -30.979 12.395 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.332 -29.024 11.764 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.965 -31.362 11.938 1.00 0.00 C ATOM 271 CZ PHE A 17 6.007 -30.385 11.625 1.00 0.00 C ATOM 0 H PHE A 17 12.449 -29.349 13.174 1.00 0.00 H new ATOM 0 HA PHE A 17 10.707 -29.603 11.015 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.398 -30.046 13.561 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.904 -28.366 13.636 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.870 -27.595 12.278 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.964 -31.736 12.655 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.593 -28.269 11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.724 -32.409 11.828 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.026 -30.677 11.280 1.00 0.00 H new ATOM 281 N ARG A 18 11.243 -26.456 11.967 1.00 0.00 N ATOM 282 CA ARG A 18 11.106 -25.076 11.499 1.00 0.00 C ATOM 283 C ARG A 18 11.704 -24.890 10.107 1.00 0.00 C ATOM 284 O ARG A 18 11.103 -24.206 9.281 1.00 0.00 O ATOM 285 CB ARG A 18 11.776 -24.125 12.493 1.00 0.00 C ATOM 286 CG ARG A 18 10.959 -23.959 13.781 1.00 0.00 C ATOM 287 CD ARG A 18 11.791 -23.298 14.875 1.00 0.00 C ATOM 288 NE ARG A 18 12.651 -24.276 15.550 1.00 0.00 N ATOM 289 CZ ARG A 18 13.327 -24.026 16.669 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.464 -22.776 17.103 1.00 0.00 N ATOM 291 NH2 ARG A 18 13.837 -25.026 17.364 1.00 0.00 N ATOM 0 H ARG A 18 11.776 -26.557 12.830 1.00 0.00 H new ATOM 0 HA ARG A 18 10.043 -24.846 11.433 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.768 -24.502 12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.913 -23.151 12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.073 -23.357 13.579 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.611 -24.934 14.123 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.404 -22.508 14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.131 -22.826 15.603 1.00 0.00 H new ATOM 0 HE ARG A 18 12.736 -25.205 15.137 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.050 -22.006 16.578 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.983 -22.588 17.961 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.712 -25.986 17.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.356 -24.838 18.222 1.00 0.00 H new ATOM 305 N TYR A 19 12.862 -25.489 9.823 1.00 0.00 N ATOM 306 CA TYR A 19 13.495 -25.372 8.515 1.00 0.00 C ATOM 307 C TYR A 19 12.654 -26.078 7.455 1.00 0.00 C ATOM 308 O TYR A 19 12.407 -25.497 6.401 1.00 0.00 O ATOM 309 CB TYR A 19 14.922 -25.933 8.571 1.00 0.00 C ATOM 310 CG TYR A 19 15.650 -25.904 7.238 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.297 -24.727 6.813 1.00 0.00 C ATOM 312 CD2 TYR A 19 15.674 -27.052 6.421 1.00 0.00 C ATOM 313 CE1 TYR A 19 16.981 -24.699 5.585 1.00 0.00 C ATOM 314 CE2 TYR A 19 16.352 -27.030 5.190 1.00 0.00 C ATOM 315 CZ TYR A 19 17.013 -25.854 4.767 1.00 0.00 C ATOM 316 OH TYR A 19 17.686 -25.850 3.581 1.00 0.00 O ATOM 0 H TYR A 19 13.380 -26.063 10.488 1.00 0.00 H new ATOM 0 HA TYR A 19 13.559 -24.320 8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.497 -25.362 9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.883 -26.961 8.930 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.267 -23.843 7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.170 -27.952 6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.482 -23.797 5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.368 -27.912 4.567 1.00 0.00 H new ATOM 0 HH TYR A 19 17.601 -26.728 3.154 1.00 0.00 H new ATOM 326 N PHE A 20 12.162 -27.290 7.722 1.00 0.00 N ATOM 327 CA PHE A 20 11.316 -27.989 6.766 1.00 0.00 C ATOM 328 C PHE A 20 10.021 -27.214 6.514 1.00 0.00 C ATOM 329 O PHE A 20 9.617 -27.082 5.360 1.00 0.00 O ATOM 330 CB PHE A 20 11.046 -29.430 7.220 1.00 0.00 C ATOM 331 CG PHE A 20 12.256 -30.341 7.097 1.00 0.00 C ATOM 332 CD1 PHE A 20 12.803 -30.613 5.827 1.00 0.00 C ATOM 333 CD2 PHE A 20 12.835 -30.925 8.241 1.00 0.00 C ATOM 334 CE1 PHE A 20 13.933 -31.440 5.703 1.00 0.00 C ATOM 335 CE2 PHE A 20 13.966 -31.753 8.115 1.00 0.00 C ATOM 336 CZ PHE A 20 14.520 -32.005 6.848 1.00 0.00 C ATOM 0 H PHE A 20 12.336 -27.801 8.588 1.00 0.00 H new ATOM 0 HA PHE A 20 11.848 -28.047 5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 20 10.713 -29.419 8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.229 -29.842 6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.352 -30.184 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.410 -30.737 9.216 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.350 -31.641 4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.410 -32.196 8.994 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.395 -32.631 6.755 1.00 0.00 H new ATOM 346 N VAL A 21 9.411 -26.626 7.546 1.00 0.00 N ATOM 347 CA VAL A 21 8.259 -25.750 7.378 1.00 0.00 C ATOM 348 C VAL A 21 8.647 -24.522 6.540 1.00 0.00 C ATOM 349 O VAL A 21 7.860 -24.126 5.684 1.00 0.00 O ATOM 350 CB VAL A 21 7.656 -25.391 8.752 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.544 -24.341 8.656 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.020 -26.628 9.407 1.00 0.00 C ATOM 0 H VAL A 21 9.703 -26.746 8.516 1.00 0.00 H new ATOM 0 HA VAL A 21 7.475 -26.267 6.825 1.00 0.00 H new ATOM 0 HB VAL A 21 8.488 -25.000 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.158 -24.128 9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.944 -23.426 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.738 -24.721 8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.601 -26.352 10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.228 -27.013 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.780 -27.397 9.546 1.00 0.00 H new ATOM 362 N GLN A 22 9.841 -23.939 6.711 1.00 0.00 N ATOM 363 CA GLN A 22 10.288 -22.833 5.870 1.00 0.00 C ATOM 364 C GLN A 22 10.389 -23.279 4.403 1.00 0.00 C ATOM 365 O GLN A 22 9.958 -22.538 3.520 1.00 0.00 O ATOM 366 CB GLN A 22 11.609 -22.237 6.399 1.00 0.00 C ATOM 367 CG GLN A 22 12.020 -20.981 5.612 1.00 0.00 C ATOM 368 CD GLN A 22 13.332 -20.356 6.081 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.407 -20.913 5.878 1.00 0.00 O ATOM 370 NE2 GLN A 22 13.290 -19.173 6.679 1.00 0.00 N ATOM 0 H GLN A 22 10.512 -24.219 7.427 1.00 0.00 H new ATOM 0 HA GLN A 22 9.546 -22.036 5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.499 -21.986 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.399 -22.985 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.109 -21.239 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.226 -20.238 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.393 -18.717 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.155 -18.720 6.974 1.00 0.00 H new ATOM 379 N MET A 23 10.920 -24.473 4.118 1.00 0.00 N ATOM 380 CA MET A 23 11.025 -24.954 2.738 1.00 0.00 C ATOM 381 C MET A 23 9.634 -25.226 2.159 1.00 0.00 C ATOM 382 O MET A 23 9.385 -24.930 0.992 1.00 0.00 O ATOM 383 CB MET A 23 11.868 -26.238 2.645 1.00 0.00 C ATOM 384 CG MET A 23 13.322 -26.131 3.124 1.00 0.00 C ATOM 385 SD MET A 23 14.344 -24.839 2.360 1.00 0.00 S ATOM 386 CE MET A 23 14.177 -23.534 3.609 1.00 0.00 C ATOM 0 H MET A 23 11.281 -25.119 4.820 1.00 0.00 H new ATOM 0 HA MET A 23 11.520 -24.172 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.372 -27.016 3.226 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.873 -26.570 1.607 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.313 -25.964 4.201 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.807 -27.092 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 23 14.917 -22.756 3.423 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.177 -23.104 3.555 1.00 0.00 H new ATOM 0 HE3 MET A 23 14.337 -23.957 4.601 1.00 0.00 H new ATOM 396 N GLU A 24 8.710 -25.760 2.958 1.00 0.00 N ATOM 397 CA GLU A 24 7.337 -26.018 2.540 1.00 0.00 C ATOM 398 C GLU A 24 6.614 -24.694 2.269 1.00 0.00 C ATOM 399 O GLU A 24 5.892 -24.577 1.277 1.00 0.00 O ATOM 400 CB GLU A 24 6.634 -26.845 3.626 1.00 0.00 C ATOM 401 CG GLU A 24 7.138 -28.302 3.627 1.00 0.00 C ATOM 402 CD GLU A 24 6.794 -29.100 4.904 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.983 -28.645 5.740 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.338 -30.219 5.055 1.00 0.00 O ATOM 0 H GLU A 24 8.899 -26.028 3.924 1.00 0.00 H new ATOM 0 HA GLU A 24 7.323 -26.589 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.812 -26.395 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.557 -26.830 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.715 -28.820 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.220 -28.298 3.497 1.00 0.00 H new ATOM 411 N ALA A 25 6.853 -23.675 3.099 1.00 0.00 N ATOM 412 CA ALA A 25 6.332 -22.335 2.899 1.00 0.00 C ATOM 413 C ALA A 25 6.900 -21.731 1.617 1.00 0.00 C ATOM 414 O ALA A 25 6.155 -21.076 0.893 1.00 0.00 O ATOM 415 CB ALA A 25 6.660 -21.455 4.108 1.00 0.00 C ATOM 0 H ALA A 25 7.424 -23.767 3.939 1.00 0.00 H new ATOM 0 HA ALA A 25 5.248 -22.389 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.264 -20.452 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.209 -21.883 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.741 -21.402 4.237 1.00 0.00 H new ATOM 421 N ASP A 26 8.178 -21.972 1.304 1.00 0.00 N ATOM 422 CA ASP A 26 8.811 -21.519 0.065 1.00 0.00 C ATOM 423 C ASP A 26 8.174 -22.200 -1.148 1.00 0.00 C ATOM 424 O ASP A 26 7.790 -21.539 -2.112 1.00 0.00 O ATOM 425 CB ASP A 26 10.323 -21.800 0.077 1.00 0.00 C ATOM 426 CG ASP A 26 11.024 -20.967 -1.007 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.903 -21.294 -2.208 1.00 0.00 O ATOM 428 OD2 ASP A 26 11.698 -19.970 -0.661 1.00 0.00 O ATOM 0 H ASP A 26 8.808 -22.494 1.913 1.00 0.00 H new ATOM 0 HA ASP A 26 8.657 -20.442 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.738 -21.560 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.505 -22.861 -0.094 1.00 0.00 H new ATOM 433 N LYS A 27 7.960 -23.516 -1.076 1.00 0.00 N ATOM 434 CA LYS A 27 7.255 -24.308 -2.088 1.00 0.00 C ATOM 435 C LYS A 27 5.807 -23.828 -2.290 1.00 0.00 C ATOM 436 O LYS A 27 5.182 -24.133 -3.308 1.00 0.00 O ATOM 437 CB LYS A 27 7.394 -25.794 -1.690 1.00 0.00 C ATOM 438 CG LYS A 27 6.675 -26.805 -2.601 1.00 0.00 C ATOM 439 CD LYS A 27 5.272 -27.176 -2.085 1.00 0.00 C ATOM 440 CE LYS A 27 5.270 -28.141 -0.885 1.00 0.00 C ATOM 441 NZ LYS A 27 5.739 -29.507 -1.240 1.00 0.00 N ATOM 0 H LYS A 27 8.282 -24.077 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 27 7.701 -24.176 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.454 -26.046 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.015 -25.915 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.590 -26.388 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.279 -27.709 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.749 -26.263 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.706 -27.628 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.907 -27.736 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.261 -28.203 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.652 -30.130 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.159 -29.882 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.734 -29.465 -1.539 1.00 0.00 H new ATOM 455 N ARG A 28 5.247 -23.073 -1.346 1.00 0.00 N ATOM 456 CA ARG A 28 3.931 -22.442 -1.424 1.00 0.00 C ATOM 457 C ARG A 28 4.018 -20.909 -1.523 1.00 0.00 C ATOM 458 O ARG A 28 2.979 -20.252 -1.497 1.00 0.00 O ATOM 459 CB ARG A 28 3.130 -22.929 -0.201 1.00 0.00 C ATOM 460 CG ARG A 28 2.812 -24.438 -0.164 1.00 0.00 C ATOM 461 CD ARG A 28 1.854 -24.940 -1.252 1.00 0.00 C ATOM 462 NE ARG A 28 2.473 -24.997 -2.588 1.00 0.00 N ATOM 463 CZ ARG A 28 1.859 -25.316 -3.732 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.580 -25.679 -3.741 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.556 -25.256 -4.861 1.00 0.00 N ATOM 0 H ARG A 28 5.721 -22.876 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 28 3.419 -22.733 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.687 -22.672 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.190 -22.378 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.748 -24.990 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.385 -24.677 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.496 -25.933 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.983 -24.286 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 28 3.466 -24.771 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.054 -25.717 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.124 -25.920 -4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.535 -24.972 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.112 -25.494 -5.748 1.00 0.00 H new ATOM 479 N LYS A 29 5.224 -20.344 -1.671 1.00 0.00 N ATOM 480 CA LYS A 29 5.551 -18.910 -1.688 1.00 0.00 C ATOM 481 C LYS A 29 4.736 -18.089 -0.675 1.00 0.00 C ATOM 482 O LYS A 29 4.284 -16.980 -0.971 1.00 0.00 O ATOM 483 CB LYS A 29 5.498 -18.372 -3.132 1.00 0.00 C ATOM 484 CG LYS A 29 6.520 -19.026 -4.086 1.00 0.00 C ATOM 485 CD LYS A 29 7.978 -18.628 -3.787 1.00 0.00 C ATOM 486 CE LYS A 29 8.960 -19.316 -4.748 1.00 0.00 C ATOM 487 NZ LYS A 29 9.242 -20.721 -4.367 1.00 0.00 N ATOM 0 H LYS A 29 6.058 -20.919 -1.791 1.00 0.00 H new ATOM 0 HA LYS A 29 6.577 -18.790 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.495 -18.527 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.671 -17.296 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.426 -20.110 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.278 -18.748 -5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.085 -17.546 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.226 -18.895 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.551 -19.293 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.894 -18.755 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.352 -21.298 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.118 -20.760 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.453 -21.092 -3.800 1.00 0.00 H new ATOM 501 N LEU A 30 4.532 -18.645 0.519 1.00 0.00 N ATOM 502 CA LEU A 30 3.867 -17.985 1.633 1.00 0.00 C ATOM 503 C LEU A 30 4.796 -16.942 2.262 1.00 0.00 C ATOM 504 O LEU A 30 6.007 -16.940 2.018 1.00 0.00 O ATOM 505 CB LEU A 30 3.476 -19.029 2.692 1.00 0.00 C ATOM 506 CG LEU A 30 2.546 -20.143 2.189 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.279 -21.130 3.321 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.206 -19.638 1.647 1.00 0.00 C ATOM 0 H LEU A 30 4.835 -19.594 0.740 1.00 0.00 H new ATOM 0 HA LEU A 30 2.972 -17.485 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.385 -19.484 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.990 -18.518 3.523 1.00 0.00 H new ATOM 0 HG LEU A 30 3.064 -20.618 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.619 -21.921 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.221 -21.565 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.806 -20.609 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.607 -20.485 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.673 -19.105 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.383 -18.964 0.809 1.00 0.00 H new ATOM 520 N ALA A 31 4.237 -16.117 3.146 1.00 0.00 N ATOM 521 CA ALA A 31 4.975 -15.342 4.139 1.00 0.00 C ATOM 522 C ALA A 31 4.422 -15.711 5.519 1.00 0.00 C ATOM 523 O ALA A 31 3.365 -16.335 5.599 1.00 0.00 O ATOM 524 CB ALA A 31 4.830 -13.845 3.856 1.00 0.00 C ATOM 0 H ALA A 31 3.229 -15.966 3.191 1.00 0.00 H new ATOM 0 HA ALA A 31 6.040 -15.571 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.385 -13.278 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.225 -13.622 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.777 -13.567 3.898 1.00 0.00 H new ATOM 530 N GLY A 32 5.125 -15.377 6.601 1.00 0.00 N ATOM 531 CA GLY A 32 4.722 -15.765 7.945 1.00 0.00 C ATOM 532 C GLY A 32 5.920 -15.997 8.855 1.00 0.00 C ATOM 533 O GLY A 32 6.983 -15.399 8.670 1.00 0.00 O ATOM 0 H GLY A 32 5.986 -14.832 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.088 -14.988 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.123 -16.674 7.896 1.00 0.00 H new ATOM 537 N TRP A 33 5.754 -16.882 9.834 1.00 0.00 N ATOM 538 CA TRP A 33 6.836 -17.420 10.634 1.00 0.00 C ATOM 539 C TRP A 33 6.454 -18.781 11.223 1.00 0.00 C ATOM 540 O TRP A 33 5.287 -19.189 11.189 1.00 0.00 O ATOM 541 CB TRP A 33 7.225 -16.420 11.733 1.00 0.00 C ATOM 542 CG TRP A 33 6.148 -16.022 12.695 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.725 -16.742 13.759 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.370 -14.786 12.719 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.753 -16.040 14.440 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.529 -14.805 13.871 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.309 -13.638 11.899 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.712 -13.723 14.219 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.466 -12.556 12.223 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.676 -12.592 13.386 1.00 0.00 C ATOM 0 H TRP A 33 4.839 -17.250 10.095 1.00 0.00 H new ATOM 0 HA TRP A 33 7.704 -17.576 9.993 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.050 -16.846 12.304 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.602 -15.517 11.253 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.093 -17.719 14.034 1.00 0.00 H new ATOM 0 HE1 TRP A 33 4.261 -16.391 15.262 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.918 -13.588 11.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.115 -13.757 15.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.426 -11.694 11.574 1.00 0.00 H new ATOM 0 HH2 TRP A 33 3.044 -11.753 13.638 1.00 0.00 H new ATOM 561 N VAL A 34 7.437 -19.455 11.821 1.00 0.00 N ATOM 562 CA VAL A 34 7.287 -20.715 12.531 1.00 0.00 C ATOM 563 C VAL A 34 8.157 -20.650 13.787 1.00 0.00 C ATOM 564 O VAL A 34 9.279 -20.142 13.736 1.00 0.00 O ATOM 565 CB VAL A 34 7.645 -21.883 11.583 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.078 -21.826 11.025 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.384 -23.240 12.248 1.00 0.00 C ATOM 0 H VAL A 34 8.400 -19.118 11.821 1.00 0.00 H new ATOM 0 HA VAL A 34 6.259 -20.890 12.850 1.00 0.00 H new ATOM 0 HB VAL A 34 6.982 -21.767 10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.248 -22.681 10.370 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.212 -20.903 10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.791 -21.854 11.849 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.646 -24.041 11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.991 -23.326 13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.329 -23.319 12.512 1.00 0.00 H new ATOM 577 N LYS A 35 7.655 -21.167 14.911 1.00 0.00 N ATOM 578 CA LYS A 35 8.335 -21.192 16.203 1.00 0.00 C ATOM 579 C LYS A 35 8.136 -22.564 16.838 1.00 0.00 C ATOM 580 O LYS A 35 7.179 -23.265 16.491 1.00 0.00 O ATOM 581 CB LYS A 35 7.821 -20.049 17.104 1.00 0.00 C ATOM 582 CG LYS A 35 6.337 -20.149 17.495 1.00 0.00 C ATOM 583 CD LYS A 35 5.956 -19.014 18.456 1.00 0.00 C ATOM 584 CE LYS A 35 4.476 -19.137 18.842 1.00 0.00 C ATOM 585 NZ LYS A 35 4.049 -18.124 19.838 1.00 0.00 N ATOM 0 H LYS A 35 6.730 -21.595 14.945 1.00 0.00 H new ATOM 0 HA LYS A 35 9.404 -21.028 16.070 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.421 -20.026 18.014 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.983 -19.101 16.591 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.715 -20.100 16.601 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.143 -21.113 17.966 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.579 -19.056 19.349 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.140 -18.049 17.985 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.863 -19.038 17.946 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.293 -20.133 19.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.042 -18.257 20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.611 -18.232 20.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.195 -17.171 19.448 1.00 0.00 H new ATOM 599 N ASN A 36 9.015 -22.951 17.766 1.00 0.00 N ATOM 600 CA ASN A 36 8.956 -24.273 18.391 1.00 0.00 C ATOM 601 C ASN A 36 8.918 -24.114 19.906 1.00 0.00 C ATOM 602 O ASN A 36 9.837 -23.553 20.502 1.00 0.00 O ATOM 603 CB ASN A 36 10.103 -25.179 17.903 1.00 0.00 C ATOM 604 CG ASN A 36 9.661 -26.638 17.854 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.606 -26.991 18.373 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.392 -27.512 17.195 1.00 0.00 N ATOM 0 H ASN A 36 9.779 -22.364 18.102 1.00 0.00 H new ATOM 0 HA ASN A 36 8.039 -24.779 18.089 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.428 -24.860 16.913 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.961 -25.077 18.568 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.082 -28.480 17.116 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.269 -27.221 16.763 1.00 0.00 H new ATOM 613 N ARG A 37 7.804 -24.507 20.519 1.00 0.00 N ATOM 614 CA ARG A 37 7.364 -24.001 21.817 1.00 0.00 C ATOM 615 C ARG A 37 7.908 -24.867 22.947 1.00 0.00 C ATOM 616 O ARG A 37 8.124 -26.070 22.776 1.00 0.00 O ATOM 617 CB ARG A 37 5.826 -24.015 21.848 1.00 0.00 C ATOM 618 CG ARG A 37 5.158 -23.116 20.790 1.00 0.00 C ATOM 619 CD ARG A 37 3.709 -23.506 20.457 1.00 0.00 C ATOM 620 NE ARG A 37 2.898 -23.909 21.620 1.00 0.00 N ATOM 621 CZ ARG A 37 1.667 -23.477 21.925 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.101 -22.443 21.302 1.00 0.00 N ATOM 623 NH2 ARG A 37 0.983 -24.107 22.874 1.00 0.00 N ATOM 0 H ARG A 37 7.170 -25.199 20.120 1.00 0.00 H new ATOM 0 HA ARG A 37 7.739 -22.987 21.956 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.482 -25.039 21.706 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.492 -23.701 22.837 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.173 -22.085 21.144 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.750 -23.148 19.876 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.223 -22.662 19.967 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.723 -24.326 19.739 1.00 0.00 H new ATOM 0 HE ARG A 37 3.317 -24.586 22.258 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.608 -21.952 20.565 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.161 -22.143 21.562 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.397 -24.905 23.356 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.044 -23.793 23.120 1.00 0.00 H new ATOM 637 N ASP A 38 8.057 -24.277 24.132 1.00 0.00 N ATOM 638 CA ASP A 38 8.510 -24.991 25.329 1.00 0.00 C ATOM 639 C ASP A 38 7.504 -26.056 25.777 1.00 0.00 C ATOM 640 O ASP A 38 7.891 -27.072 26.354 1.00 0.00 O ATOM 641 CB ASP A 38 8.761 -23.994 26.464 1.00 0.00 C ATOM 642 CG ASP A 38 9.206 -24.704 27.754 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.364 -25.177 27.822 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.418 -24.758 28.725 1.00 0.00 O ATOM 0 H ASP A 38 7.867 -23.288 24.291 1.00 0.00 H new ATOM 0 HA ASP A 38 9.438 -25.504 25.078 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.526 -23.280 26.159 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.852 -23.425 26.657 1.00 0.00 H new ATOM 649 N ASP A 39 6.216 -25.859 25.468 1.00 0.00 N ATOM 650 CA ASP A 39 5.152 -26.827 25.736 1.00 0.00 C ATOM 651 C ASP A 39 5.244 -28.080 24.848 1.00 0.00 C ATOM 652 O ASP A 39 4.500 -29.037 25.071 1.00 0.00 O ATOM 653 CB ASP A 39 3.761 -26.178 25.617 1.00 0.00 C ATOM 654 CG ASP A 39 3.151 -26.251 24.211 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.871 -26.053 23.213 1.00 0.00 O ATOM 656 OD2 ASP A 39 1.916 -26.412 24.097 1.00 0.00 O ATOM 0 H ASP A 39 5.881 -25.007 25.017 1.00 0.00 H new ATOM 0 HA ASP A 39 5.295 -27.157 26.765 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.084 -26.664 26.320 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.834 -25.132 25.915 1.00 0.00 H new ATOM 661 N GLY A 40 6.145 -28.090 23.860 1.00 0.00 N ATOM 662 CA GLY A 40 6.435 -29.239 23.015 1.00 0.00 C ATOM 663 C GLY A 40 5.856 -29.116 21.605 1.00 0.00 C ATOM 664 O GLY A 40 6.216 -29.916 20.737 1.00 0.00 O ATOM 0 H GLY A 40 6.706 -27.271 23.624 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.515 -29.367 22.946 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.037 -30.137 23.486 1.00 0.00 H new ATOM 668 N ARG A 41 4.957 -28.158 21.355 1.00 0.00 N ATOM 669 CA ARG A 41 4.265 -28.039 20.078 1.00 0.00 C ATOM 670 C ARG A 41 5.058 -27.128 19.150 1.00 0.00 C ATOM 671 O ARG A 41 5.770 -26.235 19.600 1.00 0.00 O ATOM 672 CB ARG A 41 2.842 -27.506 20.312 1.00 0.00 C ATOM 673 CG ARG A 41 1.999 -28.490 21.141 1.00 0.00 C ATOM 674 CD ARG A 41 0.581 -27.960 21.376 1.00 0.00 C ATOM 675 NE ARG A 41 -0.288 -28.987 21.978 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.423 -29.266 23.283 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.243 -28.587 24.211 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.239 -30.247 23.657 1.00 0.00 N ATOM 0 H ARG A 41 4.692 -27.446 22.036 1.00 0.00 H new ATOM 0 HA ARG A 41 4.186 -29.017 19.603 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.892 -26.546 20.826 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.357 -27.329 19.352 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.949 -29.450 20.627 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.485 -28.668 22.100 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.621 -27.088 22.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.154 -27.630 20.429 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.847 -29.546 21.333 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.874 -27.834 23.937 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.123 -28.819 25.197 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.754 -30.778 22.954 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.350 -30.469 24.646 1.00 0.00 H new ATOM 692 N VAL A 42 4.891 -27.297 17.848 1.00 0.00 N ATOM 693 CA VAL A 42 5.256 -26.263 16.887 1.00 0.00 C ATOM 694 C VAL A 42 4.042 -25.346 16.770 1.00 0.00 C ATOM 695 O VAL A 42 2.900 -25.791 16.921 1.00 0.00 O ATOM 696 CB VAL A 42 5.643 -26.916 15.543 1.00 0.00 C ATOM 697 CG1 VAL A 42 5.785 -25.932 14.369 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.967 -27.674 15.676 1.00 0.00 C ATOM 0 H VAL A 42 4.504 -28.143 17.429 1.00 0.00 H new ATOM 0 HA VAL A 42 6.124 -25.683 17.202 1.00 0.00 H new ATOM 0 HB VAL A 42 4.812 -27.584 15.314 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.059 -26.479 13.467 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.837 -25.418 14.208 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.560 -25.201 14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.224 -28.128 14.719 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.755 -26.981 15.972 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.866 -28.453 16.432 1.00 0.00 H new ATOM 708 N GLU A 43 4.286 -24.080 16.450 1.00 0.00 N ATOM 709 CA GLU A 43 3.250 -23.143 16.056 1.00 0.00 C ATOM 710 C GLU A 43 3.745 -22.388 14.828 1.00 0.00 C ATOM 711 O GLU A 43 4.938 -22.111 14.685 1.00 0.00 O ATOM 712 CB GLU A 43 2.905 -22.244 17.247 1.00 0.00 C ATOM 713 CG GLU A 43 2.016 -21.038 16.901 1.00 0.00 C ATOM 714 CD GLU A 43 1.429 -20.342 18.142 1.00 0.00 C ATOM 715 OE1 GLU A 43 1.815 -20.673 19.288 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.600 -19.424 17.952 1.00 0.00 O ATOM 0 H GLU A 43 5.222 -23.674 16.458 1.00 0.00 H new ATOM 0 HA GLU A 43 2.321 -23.642 15.778 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.402 -22.844 18.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.831 -21.880 17.692 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.600 -20.316 16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.200 -21.369 16.258 1.00 0.00 H new ATOM 723 N ILE A 44 2.819 -22.078 13.931 1.00 0.00 N ATOM 724 CA ILE A 44 3.063 -21.487 12.634 1.00 0.00 C ATOM 725 C ILE A 44 2.006 -20.396 12.483 1.00 0.00 C ATOM 726 O ILE A 44 0.865 -20.582 12.917 1.00 0.00 O ATOM 727 CB ILE A 44 2.909 -22.546 11.508 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.317 -23.989 11.908 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.681 -22.075 10.268 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.243 -25.038 10.793 1.00 0.00 C ATOM 0 H ILE A 44 1.827 -22.243 14.103 1.00 0.00 H new ATOM 0 HA ILE A 44 4.076 -21.091 12.557 1.00 0.00 H new ATOM 0 HB ILE A 44 1.843 -22.619 11.293 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.337 -23.965 12.291 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.677 -24.313 12.728 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.578 -22.813 9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.279 -21.120 9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.735 -21.957 10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.550 -26.008 11.185 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.220 -25.103 10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.907 -24.750 9.978 1.00 0.00 H new ATOM 742 N LEU A 45 2.350 -19.297 11.823 1.00 0.00 N ATOM 743 CA LEU A 45 1.407 -18.269 11.411 1.00 0.00 C ATOM 744 C LEU A 45 1.831 -17.923 9.996 1.00 0.00 C ATOM 745 O LEU A 45 2.979 -17.535 9.795 1.00 0.00 O ATOM 746 CB LEU A 45 1.466 -17.088 12.394 1.00 0.00 C ATOM 747 CG LEU A 45 0.312 -16.079 12.238 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.301 -15.152 13.459 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.413 -15.218 10.972 1.00 0.00 C ATOM 0 H LEU A 45 3.313 -19.093 11.554 1.00 0.00 H new ATOM 0 HA LEU A 45 0.363 -18.582 11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.459 -17.477 13.412 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.412 -16.564 12.259 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.606 -16.660 12.155 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.512 -14.432 13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.156 -15.743 14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.251 -14.621 13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.433 -14.532 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.342 -14.648 10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.402 -15.862 10.092 1.00 0.00 H new ATOM 761 N ALA A 46 0.960 -18.150 9.014 1.00 0.00 N ATOM 762 CA ALA A 46 1.325 -18.158 7.605 1.00 0.00 C ATOM 763 C ALA A 46 0.246 -17.462 6.785 1.00 0.00 C ATOM 764 O ALA A 46 -0.923 -17.452 7.171 1.00 0.00 O ATOM 765 CB ALA A 46 1.517 -19.603 7.139 1.00 0.00 C ATOM 0 H ALA A 46 -0.029 -18.335 9.180 1.00 0.00 H new ATOM 0 HA ALA A 46 2.261 -17.617 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.790 -19.612 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.309 -20.071 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.588 -20.156 7.278 1.00 0.00 H new ATOM 771 N GLU A 47 0.635 -16.880 5.656 1.00 0.00 N ATOM 772 CA GLU A 47 -0.182 -15.965 4.877 1.00 0.00 C ATOM 773 C GLU A 47 0.046 -16.250 3.397 1.00 0.00 C ATOM 774 O GLU A 47 1.190 -16.458 2.976 1.00 0.00 O ATOM 775 CB GLU A 47 0.195 -14.511 5.207 1.00 0.00 C ATOM 776 CG GLU A 47 0.120 -14.199 6.709 1.00 0.00 C ATOM 777 CD GLU A 47 0.214 -12.706 7.027 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.979 -11.970 6.364 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.518 -12.268 7.943 1.00 0.00 O ATOM 0 H GLU A 47 1.556 -17.039 5.248 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.235 -16.107 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.206 -14.313 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.471 -13.837 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.817 -14.589 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.927 -14.723 7.222 1.00 0.00 H new ATOM 786 N GLY A 48 -1.030 -16.260 2.611 1.00 0.00 N ATOM 787 CA GLY A 48 -0.999 -16.616 1.197 1.00 0.00 C ATOM 788 C GLY A 48 -2.415 -16.800 0.654 1.00 0.00 C ATOM 789 O GLY A 48 -3.377 -16.524 1.373 1.00 0.00 O ATOM 0 H GLY A 48 -1.962 -16.017 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.486 -15.837 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.430 -17.536 1.061 1.00 0.00 H new ATOM 793 N PRO A 49 -2.578 -17.247 -0.602 1.00 0.00 N ATOM 794 CA PRO A 49 -3.878 -17.655 -1.113 1.00 0.00 C ATOM 795 C PRO A 49 -4.334 -18.953 -0.431 1.00 0.00 C ATOM 796 O PRO A 49 -3.517 -19.763 0.020 1.00 0.00 O ATOM 797 CB PRO A 49 -3.690 -17.805 -2.625 1.00 0.00 C ATOM 798 CG PRO A 49 -2.210 -18.149 -2.777 1.00 0.00 C ATOM 799 CD PRO A 49 -1.537 -17.439 -1.601 1.00 0.00 C ATOM 0 HA PRO A 49 -4.664 -16.930 -0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.327 -18.591 -3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.943 -16.885 -3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.045 -19.226 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.816 -17.800 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.718 -18.036 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.113 -16.484 -1.912 1.00 0.00 H new ATOM 807 N GLU A 50 -5.650 -19.167 -0.378 1.00 0.00 N ATOM 808 CA GLU A 50 -6.257 -20.262 0.374 1.00 0.00 C ATOM 809 C GLU A 50 -5.759 -21.623 -0.119 1.00 0.00 C ATOM 810 O GLU A 50 -5.442 -22.485 0.698 1.00 0.00 O ATOM 811 CB GLU A 50 -7.787 -20.142 0.291 1.00 0.00 C ATOM 812 CG GLU A 50 -8.515 -21.168 1.172 1.00 0.00 C ATOM 813 CD GLU A 50 -10.030 -20.907 1.199 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.490 -20.080 2.020 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.772 -21.532 0.406 1.00 0.00 O ATOM 0 H GLU A 50 -6.329 -18.579 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.958 -20.190 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.084 -19.137 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.101 -20.272 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.324 -22.173 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.118 -21.126 2.186 1.00 0.00 H new ATOM 822 N ASN A 51 -5.628 -21.818 -1.436 1.00 0.00 N ATOM 823 CA ASN A 51 -5.161 -23.092 -1.988 1.00 0.00 C ATOM 824 C ASN A 51 -3.728 -23.406 -1.554 1.00 0.00 C ATOM 825 O ASN A 51 -3.415 -24.555 -1.231 1.00 0.00 O ATOM 826 CB ASN A 51 -5.253 -23.084 -3.520 1.00 0.00 C ATOM 827 CG ASN A 51 -4.665 -24.365 -4.108 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.535 -24.380 -4.588 1.00 0.00 O ATOM 829 ND2 ASN A 51 -5.404 -25.463 -4.077 1.00 0.00 N ATOM 0 H ASN A 51 -5.839 -21.109 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.812 -23.873 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.295 -22.984 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.720 -22.219 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.036 -26.336 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.341 -25.436 -3.675 1.00 0.00 H new ATOM 836 N ALA A 52 -2.865 -22.386 -1.517 1.00 0.00 N ATOM 837 CA ALA A 52 -1.487 -22.548 -1.079 1.00 0.00 C ATOM 838 C ALA A 52 -1.444 -22.867 0.414 1.00 0.00 C ATOM 839 O ALA A 52 -0.664 -23.718 0.832 1.00 0.00 O ATOM 840 CB ALA A 52 -0.672 -21.288 -1.388 1.00 0.00 C ATOM 0 H ALA A 52 -3.106 -21.433 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.043 -23.381 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.356 -21.428 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.682 -21.103 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.110 -20.435 -0.869 1.00 0.00 H new ATOM 846 N LEU A 53 -2.291 -22.220 1.220 1.00 0.00 N ATOM 847 CA LEU A 53 -2.368 -22.490 2.649 1.00 0.00 C ATOM 848 C LEU A 53 -2.930 -23.889 2.924 1.00 0.00 C ATOM 849 O LEU A 53 -2.456 -24.561 3.837 1.00 0.00 O ATOM 850 CB LEU A 53 -3.209 -21.408 3.339 1.00 0.00 C ATOM 851 CG LEU A 53 -2.493 -20.050 3.483 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.484 -19.009 4.003 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.298 -20.111 4.444 1.00 0.00 C ATOM 0 H LEU A 53 -2.937 -21.499 0.898 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.359 -22.464 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.130 -21.263 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.496 -21.762 4.329 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.116 -19.780 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.981 -18.047 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.312 -18.912 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.867 -19.324 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.831 -19.128 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.642 -20.414 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.571 -20.834 4.075 1.00 0.00 H new ATOM 865 N GLN A 54 -3.896 -24.370 2.138 1.00 0.00 N ATOM 866 CA GLN A 54 -4.416 -25.725 2.274 1.00 0.00 C ATOM 867 C GLN A 54 -3.324 -26.747 1.952 1.00 0.00 C ATOM 868 O GLN A 54 -3.083 -27.658 2.745 1.00 0.00 O ATOM 869 CB GLN A 54 -5.637 -25.908 1.359 1.00 0.00 C ATOM 870 CG GLN A 54 -6.913 -25.252 1.911 1.00 0.00 C ATOM 871 CD GLN A 54 -7.438 -25.975 3.152 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.063 -25.656 4.278 1.00 0.00 O ATOM 873 NE2 GLN A 54 -8.299 -26.967 2.987 1.00 0.00 N ATOM 0 H GLN A 54 -4.336 -23.830 1.393 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.732 -25.888 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.415 -25.486 0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.818 -26.973 1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.707 -24.210 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.683 -25.251 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.605 -27.226 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.656 -27.473 3.798 1.00 0.00 H new ATOM 882 N SER A 55 -2.622 -26.591 0.828 1.00 0.00 N ATOM 883 CA SER A 55 -1.550 -27.516 0.470 1.00 0.00 C ATOM 884 C SER A 55 -0.377 -27.423 1.459 1.00 0.00 C ATOM 885 O SER A 55 0.289 -28.424 1.727 1.00 0.00 O ATOM 886 CB SER A 55 -1.129 -27.324 -0.994 1.00 0.00 C ATOM 887 OG SER A 55 -1.072 -25.964 -1.397 1.00 0.00 O ATOM 0 H SER A 55 -2.776 -25.839 0.156 1.00 0.00 H new ATOM 0 HA SER A 55 -1.928 -28.535 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.150 -27.780 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.830 -27.855 -1.637 1.00 0.00 H new ATOM 0 HG SER A 55 -1.980 -25.597 -1.438 1.00 0.00 H new ATOM 893 N PHE A 56 -0.155 -26.255 2.065 1.00 0.00 N ATOM 894 CA PHE A 56 0.792 -26.088 3.155 1.00 0.00 C ATOM 895 C PHE A 56 0.366 -26.904 4.376 1.00 0.00 C ATOM 896 O PHE A 56 1.209 -27.597 4.937 1.00 0.00 O ATOM 897 CB PHE A 56 0.933 -24.602 3.486 1.00 0.00 C ATOM 898 CG PHE A 56 1.914 -24.248 4.584 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.285 -24.526 4.433 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.459 -23.548 5.719 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.199 -24.093 5.408 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.377 -23.103 6.684 1.00 0.00 C ATOM 903 CZ PHE A 56 3.747 -23.365 6.522 1.00 0.00 C ATOM 0 H PHE A 56 -0.635 -25.393 1.806 1.00 0.00 H new ATOM 0 HA PHE A 56 1.767 -26.464 2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.231 -24.076 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.048 -24.220 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.634 -25.071 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.404 -23.354 5.847 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.250 -24.320 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.030 -22.560 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.455 -23.006 7.255 1.00 0.00 H new ATOM 913 N VAL A 57 -0.916 -26.905 4.762 1.00 0.00 N ATOM 914 CA VAL A 57 -1.395 -27.789 5.825 1.00 0.00 C ATOM 915 C VAL A 57 -1.109 -29.245 5.441 1.00 0.00 C ATOM 916 O VAL A 57 -0.601 -29.987 6.281 1.00 0.00 O ATOM 917 CB VAL A 57 -2.886 -27.536 6.158 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.469 -28.604 7.103 1.00 0.00 C ATOM 919 CG2 VAL A 57 -3.071 -26.171 6.839 1.00 0.00 C ATOM 0 H VAL A 57 -1.635 -26.306 4.355 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.853 -27.569 6.745 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.412 -27.572 5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.516 -28.379 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.392 -29.585 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.912 -28.604 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.126 -26.016 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.496 -26.145 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.722 -25.382 6.173 1.00 0.00 H new ATOM 929 N GLU A 58 -1.367 -29.653 4.190 1.00 0.00 N ATOM 930 CA GLU A 58 -1.105 -31.025 3.753 1.00 0.00 C ATOM 931 C GLU A 58 0.382 -31.385 3.886 1.00 0.00 C ATOM 932 O GLU A 58 0.718 -32.511 4.259 1.00 0.00 O ATOM 933 CB GLU A 58 -1.595 -31.277 2.317 1.00 0.00 C ATOM 934 CG GLU A 58 -3.120 -31.182 2.179 1.00 0.00 C ATOM 935 CD GLU A 58 -3.587 -31.616 0.779 1.00 0.00 C ATOM 936 OE1 GLU A 58 -3.568 -30.792 -0.162 1.00 0.00 O ATOM 937 OE2 GLU A 58 -3.996 -32.788 0.606 1.00 0.00 O ATOM 0 H GLU A 58 -1.757 -29.050 3.466 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.674 -31.677 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.129 -30.554 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.267 -32.266 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.595 -31.810 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.441 -30.158 2.370 1.00 0.00 H new ATOM 944 N ALA A 59 1.277 -30.431 3.622 1.00 0.00 N ATOM 945 CA ALA A 59 2.707 -30.619 3.808 1.00 0.00 C ATOM 946 C ALA A 59 3.052 -30.741 5.301 1.00 0.00 C ATOM 947 O ALA A 59 3.708 -31.704 5.704 1.00 0.00 O ATOM 948 CB ALA A 59 3.479 -29.474 3.144 1.00 0.00 C ATOM 0 H ALA A 59 1.025 -29.507 3.273 1.00 0.00 H new ATOM 0 HA ALA A 59 3.005 -31.551 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.549 -29.624 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.257 -29.456 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.182 -28.526 3.593 1.00 0.00 H new ATOM 954 N VAL A 60 2.573 -29.812 6.133 1.00 0.00 N ATOM 955 CA VAL A 60 2.892 -29.754 7.557 1.00 0.00 C ATOM 956 C VAL A 60 2.405 -31.029 8.252 1.00 0.00 C ATOM 957 O VAL A 60 3.142 -31.602 9.055 1.00 0.00 O ATOM 958 CB VAL A 60 2.290 -28.470 8.173 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.395 -28.441 9.706 1.00 0.00 C ATOM 960 CG2 VAL A 60 2.996 -27.205 7.653 1.00 0.00 C ATOM 0 H VAL A 60 1.944 -29.069 5.829 1.00 0.00 H new ATOM 0 HA VAL A 60 3.971 -29.705 7.700 1.00 0.00 H new ATOM 0 HB VAL A 60 1.242 -28.482 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.957 -27.517 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.860 -29.294 10.124 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.443 -28.492 10.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.545 -26.323 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.054 -27.246 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.890 -27.148 6.570 1.00 0.00 H new ATOM 970 N LYS A 61 1.192 -31.506 7.941 1.00 0.00 N ATOM 971 CA LYS A 61 0.650 -32.709 8.571 1.00 0.00 C ATOM 972 C LYS A 61 1.368 -33.981 8.118 1.00 0.00 C ATOM 973 O LYS A 61 1.266 -34.992 8.810 1.00 0.00 O ATOM 974 CB LYS A 61 -0.883 -32.774 8.431 1.00 0.00 C ATOM 975 CG LYS A 61 -1.446 -33.005 7.020 1.00 0.00 C ATOM 976 CD LYS A 61 -1.699 -34.471 6.641 1.00 0.00 C ATOM 977 CE LYS A 61 -2.832 -35.100 7.471 1.00 0.00 C ATOM 978 NZ LYS A 61 -3.123 -36.496 7.056 1.00 0.00 N ATOM 0 H LYS A 61 0.571 -31.075 7.257 1.00 0.00 H new ATOM 0 HA LYS A 61 0.852 -32.642 9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.248 -33.573 9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.298 -31.841 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.384 -32.457 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.753 -32.575 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.950 -34.532 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.784 -35.045 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.558 -35.086 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.734 -34.497 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.892 -36.879 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.410 -36.508 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.271 -37.079 7.179 1.00 0.00 H new ATOM 992 N ASN A 62 2.090 -33.962 6.989 1.00 0.00 N ATOM 993 CA ASN A 62 2.985 -35.052 6.619 1.00 0.00 C ATOM 994 C ASN A 62 4.291 -34.962 7.411 1.00 0.00 C ATOM 995 O ASN A 62 4.781 -35.971 7.917 1.00 0.00 O ATOM 996 CB ASN A 62 3.286 -35.039 5.113 1.00 0.00 C ATOM 997 CG ASN A 62 4.003 -36.320 4.692 1.00 0.00 C ATOM 998 OD1 ASN A 62 3.363 -37.302 4.328 1.00 0.00 O ATOM 999 ND2 ASN A 62 5.325 -36.360 4.725 1.00 0.00 N ATOM 0 H ASN A 62 2.067 -33.196 6.316 1.00 0.00 H new ATOM 0 HA ASN A 62 2.484 -35.989 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.357 -34.936 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.903 -34.174 4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.817 -37.209 4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.853 -35.541 5.028 1.00 0.00 H new ATOM 1006 N GLY A 63 4.838 -33.748 7.528 1.00 0.00 N ATOM 1007 CA GLY A 63 6.153 -33.484 8.099 1.00 0.00 C ATOM 1008 C GLY A 63 7.276 -34.005 7.196 1.00 0.00 C ATOM 1009 O GLY A 63 7.019 -34.556 6.119 1.00 0.00 O ATOM 0 H GLY A 63 4.361 -32.901 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.276 -32.412 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.226 -33.955 9.079 1.00 0.00 H new ATOM 1013 N SER A 64 8.528 -33.829 7.622 1.00 0.00 N ATOM 1014 CA SER A 64 9.671 -34.490 6.998 1.00 0.00 C ATOM 1015 C SER A 64 9.689 -35.979 7.394 1.00 0.00 C ATOM 1016 O SER A 64 9.018 -36.355 8.362 1.00 0.00 O ATOM 1017 CB SER A 64 10.945 -33.761 7.443 1.00 0.00 C ATOM 1018 OG SER A 64 11.159 -33.899 8.838 1.00 0.00 O ATOM 0 H SER A 64 8.776 -33.226 8.407 1.00 0.00 H new ATOM 0 HA SER A 64 9.604 -34.447 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.802 -34.159 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.869 -32.704 7.188 1.00 0.00 H new ATOM 0 HG SER A 64 11.675 -33.134 9.167 1.00 0.00 H new ATOM 1024 N PRO A 65 10.490 -36.836 6.733 1.00 0.00 N ATOM 1025 CA PRO A 65 10.699 -38.208 7.194 1.00 0.00 C ATOM 1026 C PRO A 65 11.450 -38.269 8.536 1.00 0.00 C ATOM 1027 O PRO A 65 11.360 -39.277 9.240 1.00 0.00 O ATOM 1028 CB PRO A 65 11.467 -38.908 6.069 1.00 0.00 C ATOM 1029 CG PRO A 65 12.196 -37.766 5.366 1.00 0.00 C ATOM 1030 CD PRO A 65 11.219 -36.599 5.495 1.00 0.00 C ATOM 0 HA PRO A 65 9.749 -38.704 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.165 -39.648 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.794 -39.432 5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.152 -37.545 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.405 -38.003 4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.748 -35.646 5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.541 -36.559 4.642 1.00 0.00 H new ATOM 1038 N PHE A 66 12.191 -37.214 8.899 1.00 0.00 N ATOM 1039 CA PHE A 66 12.872 -37.116 10.189 1.00 0.00 C ATOM 1040 C PHE A 66 11.860 -36.859 11.306 1.00 0.00 C ATOM 1041 O PHE A 66 11.987 -37.411 12.402 1.00 0.00 O ATOM 1042 CB PHE A 66 13.919 -35.994 10.144 1.00 0.00 C ATOM 1043 CG PHE A 66 14.956 -36.167 9.049 1.00 0.00 C ATOM 1044 CD1 PHE A 66 16.037 -37.051 9.233 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.827 -35.471 7.830 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.981 -37.237 8.207 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.768 -35.661 6.803 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.847 -36.543 6.992 1.00 0.00 C ATOM 0 H PHE A 66 12.333 -36.401 8.299 1.00 0.00 H new ATOM 0 HA PHE A 66 13.378 -38.060 10.394 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.410 -35.041 10.002 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.426 -35.944 11.107 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.141 -37.588 10.164 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.002 -34.789 7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.810 -37.914 8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.662 -35.130 5.869 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.572 -36.687 6.204 1.00 0.00 H new ATOM 1058 N SER A 67 10.837 -36.050 11.035 1.00 0.00 N ATOM 1059 CA SER A 67 9.748 -35.778 11.956 1.00 0.00 C ATOM 1060 C SER A 67 8.835 -37.001 12.096 1.00 0.00 C ATOM 1061 O SER A 67 8.860 -37.928 11.282 1.00 0.00 O ATOM 1062 CB SER A 67 8.944 -34.584 11.429 1.00 0.00 C ATOM 1063 OG SER A 67 9.788 -33.487 11.134 1.00 0.00 O ATOM 0 H SER A 67 10.745 -35.557 10.147 1.00 0.00 H new ATOM 0 HA SER A 67 10.159 -35.549 12.939 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.398 -34.877 10.532 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.202 -34.286 12.170 1.00 0.00 H new ATOM 0 HG SER A 67 10.320 -33.689 10.336 1.00 0.00 H new ATOM 1069 N LYS A 68 7.966 -36.961 13.105 1.00 0.00 N ATOM 1070 CA LYS A 68 6.778 -37.799 13.212 1.00 0.00 C ATOM 1071 C LYS A 68 5.714 -36.955 13.901 1.00 0.00 C ATOM 1072 O LYS A 68 5.511 -37.061 15.109 1.00 0.00 O ATOM 1073 CB LYS A 68 7.091 -39.125 13.935 1.00 0.00 C ATOM 1074 CG LYS A 68 5.896 -40.086 14.085 1.00 0.00 C ATOM 1075 CD LYS A 68 5.238 -40.475 12.753 1.00 0.00 C ATOM 1076 CE LYS A 68 4.138 -41.520 12.999 1.00 0.00 C ATOM 1077 NZ LYS A 68 3.462 -41.931 11.744 1.00 0.00 N ATOM 0 H LYS A 68 8.075 -36.324 13.894 1.00 0.00 H new ATOM 0 HA LYS A 68 6.410 -38.110 12.234 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.884 -39.639 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.480 -38.897 14.927 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.232 -40.991 14.591 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.147 -39.621 14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.813 -39.592 12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.987 -40.876 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.573 -42.397 13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.400 -41.112 13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.729 -42.636 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.023 -41.100 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.160 -42.345 11.093 1.00 0.00 H new ATOM 1091 N VAL A 69 5.096 -36.049 13.150 1.00 0.00 N ATOM 1092 CA VAL A 69 3.884 -35.363 13.575 1.00 0.00 C ATOM 1093 C VAL A 69 2.801 -36.421 13.836 1.00 0.00 C ATOM 1094 O VAL A 69 2.682 -37.390 13.081 1.00 0.00 O ATOM 1095 CB VAL A 69 3.505 -34.290 12.523 1.00 0.00 C ATOM 1096 CG1 VAL A 69 3.698 -34.717 11.058 1.00 0.00 C ATOM 1097 CG2 VAL A 69 2.071 -33.771 12.690 1.00 0.00 C ATOM 0 H VAL A 69 5.424 -35.770 12.226 1.00 0.00 H new ATOM 0 HA VAL A 69 4.021 -34.818 14.509 1.00 0.00 H new ATOM 0 HB VAL A 69 4.218 -33.492 12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.406 -33.899 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.745 -34.965 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.080 -35.590 10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.864 -33.022 11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.370 -34.599 12.587 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.959 -33.322 13.677 1.00 0.00 H new ATOM 1107 N THR A 70 2.013 -36.231 14.895 1.00 0.00 N ATOM 1108 CA THR A 70 0.943 -37.129 15.311 1.00 0.00 C ATOM 1109 C THR A 70 -0.384 -36.380 15.496 1.00 0.00 C ATOM 1110 O THR A 70 -1.441 -37.017 15.498 1.00 0.00 O ATOM 1111 CB THR A 70 1.363 -37.853 16.605 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.723 -36.911 17.599 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.570 -38.767 16.374 1.00 0.00 C ATOM 0 H THR A 70 2.108 -35.419 15.505 1.00 0.00 H new ATOM 0 HA THR A 70 0.778 -37.867 14.526 1.00 0.00 H new ATOM 0 HB THR A 70 0.509 -38.450 16.925 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.986 -37.383 18.417 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.837 -39.260 17.309 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.319 -39.519 15.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.414 -38.173 16.023 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.368 -35.045 15.604 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.567 -34.219 15.733 1.00 0.00 C ATOM 1123 C ASP A 71 -1.301 -32.835 15.145 1.00 0.00 C ATOM 1124 O ASP A 71 -0.159 -32.367 15.146 1.00 0.00 O ATOM 1125 CB ASP A 71 -1.970 -34.091 17.210 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.238 -33.239 17.382 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.260 -33.539 16.725 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.222 -32.284 18.189 1.00 0.00 O ATOM 0 H ASP A 71 0.496 -34.503 15.604 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.384 -34.693 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.139 -35.083 17.628 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.151 -33.643 17.773 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.349 -32.182 14.645 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.295 -30.858 14.042 1.00 0.00 C ATOM 1135 C ILE A 72 -3.658 -30.180 14.257 1.00 0.00 C ATOM 1136 O ILE A 72 -4.692 -30.859 14.279 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.890 -30.977 12.547 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.635 -29.583 11.933 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.899 -31.802 11.718 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.102 -29.618 10.499 1.00 0.00 C ATOM 0 H ILE A 72 -3.290 -32.577 14.650 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.535 -30.233 14.510 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.954 -31.534 12.512 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.565 -29.015 11.949 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.923 -29.047 12.560 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.564 -31.851 10.682 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.966 -32.811 12.126 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.879 -31.327 11.761 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.950 -28.599 10.142 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.154 -30.156 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.822 -30.124 9.856 1.00 0.00 H new ATOM 1152 N SER A 73 -3.663 -28.852 14.370 1.00 0.00 N ATOM 1153 CA SER A 73 -4.852 -28.012 14.465 1.00 0.00 C ATOM 1154 C SER A 73 -4.609 -26.744 13.640 1.00 0.00 C ATOM 1155 O SER A 73 -3.457 -26.339 13.460 1.00 0.00 O ATOM 1156 CB SER A 73 -5.127 -27.651 15.935 1.00 0.00 C ATOM 1157 OG SER A 73 -5.248 -28.806 16.752 1.00 0.00 O ATOM 0 H SER A 73 -2.799 -28.310 14.399 1.00 0.00 H new ATOM 0 HA SER A 73 -5.722 -28.544 14.080 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.319 -27.023 16.312 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.043 -27.064 15.999 1.00 0.00 H new ATOM 0 HG SER A 73 -5.421 -28.535 17.678 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.679 -26.113 13.149 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.619 -24.948 12.267 1.00 0.00 C ATOM 1165 C VAL A 74 -6.683 -23.942 12.725 1.00 0.00 C ATOM 1166 O VAL A 74 -7.772 -24.329 13.160 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.827 -25.379 10.791 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.648 -24.205 9.814 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.868 -26.503 10.360 1.00 0.00 C ATOM 0 H VAL A 74 -6.633 -26.406 13.360 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.638 -24.475 12.323 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.853 -25.744 10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.803 -24.554 8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.374 -23.426 10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.640 -23.802 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.058 -26.764 9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.838 -26.163 10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.028 -27.379 10.989 1.00 0.00 H new ATOM 1179 N THR A 75 -6.366 -22.655 12.596 1.00 0.00 N ATOM 1180 CA THR A 75 -7.240 -21.506 12.812 1.00 0.00 C ATOM 1181 C THR A 75 -6.949 -20.526 11.658 1.00 0.00 C ATOM 1182 O THR A 75 -5.927 -20.663 10.980 1.00 0.00 O ATOM 1183 CB THR A 75 -6.952 -20.894 14.204 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.803 -21.894 15.201 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.057 -19.947 14.687 1.00 0.00 C ATOM 0 H THR A 75 -5.427 -22.369 12.319 1.00 0.00 H new ATOM 0 HA THR A 75 -8.297 -21.771 12.809 1.00 0.00 H new ATOM 0 HB THR A 75 -6.025 -20.337 14.068 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.621 -21.470 16.065 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.794 -19.552 15.668 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.165 -19.123 13.981 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.999 -20.492 14.755 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.808 -19.536 11.408 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.647 -18.603 10.294 1.00 0.00 C ATOM 1195 C GLU A 76 -8.068 -17.183 10.681 1.00 0.00 C ATOM 1196 O GLU A 76 -8.723 -16.972 11.708 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.427 -19.105 9.061 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.945 -19.190 9.285 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.727 -19.264 7.965 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.520 -20.193 7.153 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.567 -18.373 7.713 1.00 0.00 O ATOM 0 H GLU A 76 -8.637 -19.359 11.975 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.588 -18.560 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.229 -18.439 8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.054 -20.090 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.172 -20.069 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.275 -18.320 9.852 1.00 0.00 H new ATOM 1208 N SER A 77 -7.734 -16.237 9.805 1.00 0.00 N ATOM 1209 CA SER A 77 -8.160 -14.846 9.828 1.00 0.00 C ATOM 1210 C SER A 77 -8.382 -14.453 8.367 1.00 0.00 C ATOM 1211 O SER A 77 -7.520 -14.712 7.526 1.00 0.00 O ATOM 1212 CB SER A 77 -7.072 -13.953 10.455 1.00 0.00 C ATOM 1213 OG SER A 77 -6.531 -14.479 11.655 1.00 0.00 O ATOM 0 H SER A 77 -7.122 -16.437 9.014 1.00 0.00 H new ATOM 0 HA SER A 77 -9.063 -14.720 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.267 -13.814 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.493 -12.968 10.657 1.00 0.00 H new ATOM 0 HG SER A 77 -5.564 -14.323 11.674 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.515 -13.822 8.045 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.859 -13.417 6.671 1.00 0.00 C ATOM 1221 C ARG A 78 -9.210 -12.072 6.297 1.00 0.00 C ATOM 1222 O ARG A 78 -9.609 -11.441 5.316 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.395 -13.444 6.492 1.00 0.00 C ATOM 1224 CG ARG A 78 -11.956 -14.882 6.476 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.739 -15.588 5.126 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.636 -17.050 5.277 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.362 -17.934 4.310 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.320 -17.590 3.028 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -11.101 -19.197 4.606 1.00 0.00 N ATOM 0 H ARG A 78 -10.227 -13.574 8.732 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.442 -14.134 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.863 -12.882 7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.659 -12.943 5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.479 -15.463 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.022 -14.854 6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.565 -15.350 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.830 -15.207 4.660 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.789 -17.426 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.500 -16.624 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.108 -18.291 2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.107 -19.505 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.893 -19.863 3.862 1.00 0.00 H new ATOM 1243 N SER A 79 -8.191 -11.662 7.051 1.00 0.00 N ATOM 1244 CA SER A 79 -7.319 -10.521 6.807 1.00 0.00 C ATOM 1245 C SER A 79 -5.899 -10.967 7.179 1.00 0.00 C ATOM 1246 O SER A 79 -5.734 -11.940 7.922 1.00 0.00 O ATOM 1247 CB SER A 79 -7.771 -9.325 7.661 1.00 0.00 C ATOM 1248 OG SER A 79 -9.135 -9.001 7.426 1.00 0.00 O ATOM 0 H SER A 79 -7.938 -12.155 7.907 1.00 0.00 H new ATOM 0 HA SER A 79 -7.355 -10.202 5.765 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.628 -9.556 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.147 -8.460 7.436 1.00 0.00 H new ATOM 0 HG SER A 79 -9.391 -8.238 7.985 1.00 0.00 H new ATOM 1254 N LEU A 80 -4.875 -10.276 6.674 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.473 -10.664 6.813 1.00 0.00 C ATOM 1256 C LEU A 80 -2.595 -9.427 6.998 1.00 0.00 C ATOM 1257 O LEU A 80 -3.000 -8.316 6.646 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.010 -11.504 5.603 1.00 0.00 C ATOM 1259 CG LEU A 80 -2.753 -10.752 4.277 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -1.917 -11.642 3.352 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.052 -10.360 3.560 1.00 0.00 C ATOM 0 H LEU A 80 -5.002 -9.413 6.146 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.373 -11.287 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.091 -12.020 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.762 -12.270 5.416 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.223 -9.831 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.731 -11.119 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.967 -11.875 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.458 -12.567 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.813 -9.835 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.626 -11.258 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.641 -9.708 4.205 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.386 -9.624 7.520 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.388 -8.573 7.674 1.00 0.00 C ATOM 1275 C GLU A 81 0.303 -8.296 6.335 1.00 0.00 C ATOM 1276 O GLU A 81 0.648 -7.149 6.043 1.00 0.00 O ATOM 1277 CB GLU A 81 0.659 -8.988 8.725 1.00 0.00 C ATOM 1278 CG GLU A 81 0.083 -9.219 10.133 1.00 0.00 C ATOM 1279 CD GLU A 81 -0.571 -7.955 10.722 1.00 0.00 C ATOM 1280 OE1 GLU A 81 0.156 -7.011 11.108 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -1.816 -7.898 10.831 1.00 0.00 O ATOM 0 H GLU A 81 -1.069 -10.535 7.853 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.889 -7.664 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.150 -9.902 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.427 -8.216 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.655 -10.020 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.880 -9.554 10.797 1.00 0.00 H new ATOM 1288 N GLY A 82 0.493 -9.336 5.517 1.00 0.00 N ATOM 1289 CA GLY A 82 1.310 -9.275 4.315 1.00 0.00 C ATOM 1290 C GLY A 82 2.784 -9.288 4.718 1.00 0.00 C ATOM 1291 O GLY A 82 3.526 -8.370 4.357 1.00 0.00 O ATOM 0 H GLY A 82 0.076 -10.253 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.089 -10.122 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.082 -8.372 3.749 1.00 0.00 H new ATOM 1295 N HIS A 83 3.172 -10.262 5.551 1.00 0.00 N ATOM 1296 CA HIS A 83 4.484 -10.323 6.191 1.00 0.00 C ATOM 1297 C HIS A 83 5.642 -10.262 5.177 1.00 0.00 C ATOM 1298 O HIS A 83 5.506 -10.668 4.020 1.00 0.00 O ATOM 1299 CB HIS A 83 4.567 -11.576 7.082 1.00 0.00 C ATOM 1300 CG HIS A 83 5.703 -11.533 8.078 1.00 0.00 C ATOM 1301 ND1 HIS A 83 6.766 -12.404 8.160 1.00 0.00 N ATOM 1302 CD2 HIS A 83 5.877 -10.599 9.065 1.00 0.00 C ATOM 1303 CE1 HIS A 83 7.558 -12.004 9.166 1.00 0.00 C ATOM 1304 NE2 HIS A 83 7.063 -10.897 9.748 1.00 0.00 N ATOM 0 H HIS A 83 2.567 -11.044 5.801 1.00 0.00 H new ATOM 0 HA HIS A 83 4.596 -9.438 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.626 -11.692 7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.683 -12.456 6.449 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.924 -13.213 7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.213 -9.774 9.280 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.468 -12.502 9.467 1.00 0.00 H new ATOM 1312 N HIS A 84 6.799 -9.767 5.632 1.00 0.00 N ATOM 1313 CA HIS A 84 7.992 -9.543 4.816 1.00 0.00 C ATOM 1314 C HIS A 84 8.540 -10.849 4.220 1.00 0.00 C ATOM 1315 O HIS A 84 8.977 -10.867 3.067 1.00 0.00 O ATOM 1316 CB HIS A 84 9.045 -8.859 5.714 1.00 0.00 C ATOM 1317 CG HIS A 84 10.409 -8.577 5.114 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.891 -8.952 3.877 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.432 -7.928 5.752 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.162 -8.539 3.771 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.547 -7.918 4.902 1.00 0.00 N ATOM 0 H HIS A 84 6.932 -9.504 6.609 1.00 0.00 H new ATOM 0 HA HIS A 84 7.740 -8.910 3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.628 -7.912 6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.189 -9.483 6.596 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.368 -9.459 3.163 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.388 -7.497 6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.788 -8.684 2.903 1.00 0.00 H new ATOM 1329 N ARG A 85 8.578 -11.918 5.017 1.00 0.00 N ATOM 1330 CA ARG A 85 9.348 -13.138 4.749 1.00 0.00 C ATOM 1331 C ARG A 85 8.678 -14.309 5.462 1.00 0.00 C ATOM 1332 O ARG A 85 7.611 -14.113 6.050 1.00 0.00 O ATOM 1333 CB ARG A 85 10.810 -12.920 5.204 1.00 0.00 C ATOM 1334 CG ARG A 85 10.967 -12.646 6.714 1.00 0.00 C ATOM 1335 CD ARG A 85 12.428 -12.418 7.120 1.00 0.00 C ATOM 1336 NE ARG A 85 12.977 -11.157 6.581 1.00 0.00 N ATOM 1337 CZ ARG A 85 14.241 -10.739 6.729 1.00 0.00 C ATOM 1338 NH1 ARG A 85 15.134 -11.485 7.376 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.611 -9.566 6.226 1.00 0.00 N ATOM 0 H ARG A 85 8.059 -11.962 5.894 1.00 0.00 H new ATOM 0 HA ARG A 85 9.369 -13.369 3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.395 -13.802 4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.231 -12.082 4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.377 -11.770 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.564 -13.488 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.502 -12.407 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.034 -13.253 6.768 1.00 0.00 H new ATOM 0 HE ARG A 85 12.343 -10.557 6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.859 -12.386 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.093 -11.155 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.933 -8.987 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.573 -9.244 6.337 1.00 0.00 H new ATOM 1353 N PHE A 86 9.292 -15.494 5.468 1.00 0.00 N ATOM 1354 CA PHE A 86 8.848 -16.611 6.293 1.00 0.00 C ATOM 1355 C PHE A 86 9.933 -16.909 7.330 1.00 0.00 C ATOM 1356 O PHE A 86 10.916 -17.589 7.019 1.00 0.00 O ATOM 1357 CB PHE A 86 8.462 -17.824 5.439 1.00 0.00 C ATOM 1358 CG PHE A 86 7.686 -18.834 6.258 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.365 -19.785 7.043 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.281 -18.768 6.304 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.641 -20.670 7.856 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.559 -19.636 7.140 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.241 -20.591 7.912 1.00 0.00 C ATOM 0 H PHE A 86 10.112 -15.703 4.899 1.00 0.00 H new ATOM 0 HA PHE A 86 7.935 -16.347 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.861 -17.500 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.360 -18.290 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.444 -19.833 7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.756 -18.047 5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.162 -21.414 8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.482 -19.569 7.189 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.688 -21.265 8.549 1.00 0.00 H new ATOM 1373 N SER A 87 9.800 -16.359 8.539 1.00 0.00 N ATOM 1374 CA SER A 87 10.864 -16.416 9.534 1.00 0.00 C ATOM 1375 C SER A 87 10.885 -17.770 10.243 1.00 0.00 C ATOM 1376 O SER A 87 9.872 -18.220 10.781 1.00 0.00 O ATOM 1377 CB SER A 87 10.690 -15.307 10.581 1.00 0.00 C ATOM 1378 OG SER A 87 10.365 -14.070 9.964 1.00 0.00 O ATOM 0 H SER A 87 8.962 -15.868 8.850 1.00 0.00 H new ATOM 0 HA SER A 87 11.808 -16.275 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.904 -15.585 11.283 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.609 -15.199 11.158 1.00 0.00 H new ATOM 0 HG SER A 87 10.258 -13.380 10.651 1.00 0.00 H new ATOM 1384 N ILE A 88 12.064 -18.377 10.335 1.00 0.00 N ATOM 1385 CA ILE A 88 12.364 -19.335 11.392 1.00 0.00 C ATOM 1386 C ILE A 88 12.588 -18.489 12.647 1.00 0.00 C ATOM 1387 O ILE A 88 13.521 -17.683 12.688 1.00 0.00 O ATOM 1388 CB ILE A 88 13.601 -20.172 10.993 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.214 -21.108 9.824 1.00 0.00 C ATOM 1390 CG2 ILE A 88 14.174 -20.977 12.175 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.429 -21.676 9.088 1.00 0.00 C ATOM 0 H ILE A 88 12.833 -18.220 9.684 1.00 0.00 H new ATOM 0 HA ILE A 88 11.565 -20.056 11.568 1.00 0.00 H new ATOM 0 HB ILE A 88 14.391 -19.489 10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.611 -21.931 10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.591 -20.560 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.041 -21.547 11.841 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.473 -20.294 12.970 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.414 -21.661 12.552 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.094 -22.325 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.020 -20.858 8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.040 -22.250 9.784 1.00 0.00 H new ATOM 1403 N VAL A 89 11.731 -18.640 13.656 1.00 0.00 N ATOM 1404 CA VAL A 89 11.963 -18.068 14.974 1.00 0.00 C ATOM 1405 C VAL A 89 12.923 -19.026 15.691 1.00 0.00 C ATOM 1406 O VAL A 89 12.705 -20.244 15.737 1.00 0.00 O ATOM 1407 CB VAL A 89 10.620 -17.865 15.707 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.812 -17.246 17.098 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.663 -16.959 14.910 1.00 0.00 C ATOM 0 H VAL A 89 10.858 -19.162 13.579 1.00 0.00 H new ATOM 0 HA VAL A 89 12.415 -17.077 14.933 1.00 0.00 H new ATOM 0 HB VAL A 89 10.187 -18.860 15.807 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.841 -17.121 17.578 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.435 -17.902 17.705 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.296 -16.274 17.000 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.730 -16.842 15.461 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.124 -15.982 14.765 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.457 -17.411 13.940 1.00 0.00 H new ATOM 1419 N TYR A 90 14.005 -18.479 16.246 1.00 0.00 N ATOM 1420 CA TYR A 90 15.088 -19.237 16.871 1.00 0.00 C ATOM 1421 C TYR A 90 14.750 -19.573 18.333 1.00 0.00 C ATOM 1422 O TYR A 90 15.561 -19.367 19.240 1.00 0.00 O ATOM 1423 CB TYR A 90 16.411 -18.474 16.694 1.00 0.00 C ATOM 1424 CG TYR A 90 16.755 -18.199 15.238 1.00 0.00 C ATOM 1425 CD1 TYR A 90 17.114 -19.265 14.388 1.00 0.00 C ATOM 1426 CD2 TYR A 90 16.679 -16.891 14.722 1.00 0.00 C ATOM 1427 CE1 TYR A 90 17.386 -19.031 13.028 1.00 0.00 C ATOM 1428 CE2 TYR A 90 16.951 -16.648 13.363 1.00 0.00 C ATOM 1429 CZ TYR A 90 17.301 -17.718 12.508 1.00 0.00 C ATOM 1430 OH TYR A 90 17.561 -17.470 11.193 1.00 0.00 O ATOM 0 H TYR A 90 14.156 -17.471 16.274 1.00 0.00 H new ATOM 0 HA TYR A 90 15.209 -20.201 16.377 1.00 0.00 H new ATOM 0 HB2 TYR A 90 16.352 -17.528 17.231 1.00 0.00 H new ATOM 0 HB3 TYR A 90 17.218 -19.049 17.149 1.00 0.00 H new ATOM 0 HD1 TYR A 90 17.181 -20.268 14.784 1.00 0.00 H new ATOM 0 HD2 TYR A 90 16.411 -16.071 15.372 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.659 -19.852 12.382 1.00 0.00 H new ATOM 0 HE2 TYR A 90 16.892 -15.643 12.973 1.00 0.00 H new ATOM 0 HH TYR A 90 17.453 -16.513 11.013 1.00 0.00 H new ATOM 1440 N SER A 91 13.523 -20.052 18.561 1.00 0.00 N ATOM 1441 CA SER A 91 13.039 -20.599 19.820 1.00 0.00 C ATOM 1442 C SER A 91 14.056 -21.584 20.399 1.00 0.00 C ATOM 1443 O SER A 91 14.368 -21.494 21.605 1.00 0.00 O ATOM 1444 CB SER A 91 11.687 -21.290 19.590 1.00 0.00 C ATOM 1445 OG SER A 91 10.914 -20.649 18.579 1.00 0.00 O ATOM 1446 OXT SER A 91 14.530 -22.452 19.632 1.00 0.00 O ATOM 0 H SER A 91 12.809 -20.067 17.832 1.00 0.00 H new ATOM 0 HA SER A 91 12.907 -19.789 20.538 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.857 -22.330 19.309 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.124 -21.299 20.523 1.00 0.00 H new ATOM 0 HG SER A 91 10.349 -19.960 18.987 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.521 -27.810 15.322 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.215 -29.202 14.950 1.00 0.00 O HETATM 1455 O2 PO4 A 92 12.787 -26.866 14.462 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.134 -27.574 16.722 1.00 0.00 O HETATM 1457 O4 PO4 A 92 14.967 -27.569 15.193 1.00 0.00 O