USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 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 3 GLN : amide:sc= 3.19 K(o=4.3,f=-0.84) USER MOD Set 1.2: A 77 SER OG : rot 129:sc= 1.15 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 67 SER OG : rot 157:sc= 0.74 USER MOD Set 3.1: A 13 GLN : amide:sc= 1.93 K(o=3.7,f=0.4) USER MOD Set 3.2: A 36 ASN : amide:sc= 1.79 K(o=3.7,f=-3.2) USER MOD Single : A 1 MET CE :methyl -175:sc=-0.00231 (180deg=-0.0343) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0705 (180deg=-0.139) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 23 MET CE :methyl -176:sc= 0 (180deg=-0.0291) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 1.82 (180deg=0.81) 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 54 GLN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 55 SER OG : rot -73:sc= 1.9 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,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= -0.0294 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.671 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.46) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.774 -13.282 -0.553 1.00 0.00 N ATOM 2 CA MET A 1 -5.676 -13.868 0.264 1.00 0.00 C ATOM 3 C MET A 1 -6.087 -13.883 1.742 1.00 0.00 C ATOM 4 O MET A 1 -6.935 -13.091 2.157 1.00 0.00 O ATOM 5 CB MET A 1 -4.335 -13.126 0.068 1.00 0.00 C ATOM 6 CG MET A 1 -3.757 -13.237 -1.353 1.00 0.00 C ATOM 7 SD MET A 1 -2.323 -12.167 -1.679 1.00 0.00 S ATOM 8 CE MET A 1 -1.026 -12.992 -0.718 1.00 0.00 C ATOM 0 H1 MET A 1 -7.145 -14.003 -1.204 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.537 -12.956 0.074 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.408 -12.477 -1.100 1.00 0.00 H new ATOM 0 HA MET A 1 -5.513 -14.891 -0.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.476 -12.073 0.310 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.607 -13.521 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.468 -14.273 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.542 -12.996 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.113 -12.397 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.351 -13.097 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.832 -13.978 -1.140 1.00 0.00 H new ATOM 20 N LEU A 2 -5.522 -14.794 2.540 1.00 0.00 N ATOM 21 CA LEU A 2 -5.971 -15.117 3.896 1.00 0.00 C ATOM 22 C LEU A 2 -4.755 -15.275 4.813 1.00 0.00 C ATOM 23 O LEU A 2 -3.609 -15.209 4.353 1.00 0.00 O ATOM 24 CB LEU A 2 -6.744 -16.455 3.901 1.00 0.00 C ATOM 25 CG LEU A 2 -7.844 -16.660 2.847 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.278 -18.122 2.905 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.063 -15.761 3.066 1.00 0.00 C ATOM 0 H LEU A 2 -4.714 -15.344 2.250 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.617 -14.311 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.018 -17.260 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.198 -16.574 4.885 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.434 -16.394 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.060 -18.299 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.424 -18.764 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.661 -18.349 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.802 -15.955 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.499 -15.971 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.757 -14.716 3.023 1.00 0.00 H new ATOM 39 N GLN A 3 -5.026 -15.573 6.086 1.00 0.00 N ATOM 40 CA GLN A 3 -4.062 -15.855 7.134 1.00 0.00 C ATOM 41 C GLN A 3 -4.504 -17.149 7.820 1.00 0.00 C ATOM 42 O GLN A 3 -5.671 -17.289 8.190 1.00 0.00 O ATOM 43 CB GLN A 3 -4.069 -14.667 8.109 1.00 0.00 C ATOM 44 CG GLN A 3 -3.216 -14.826 9.375 1.00 0.00 C ATOM 45 CD GLN A 3 -3.523 -13.698 10.363 1.00 0.00 C ATOM 46 OE1 GLN A 3 -4.283 -13.880 11.313 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.979 -12.512 10.156 1.00 0.00 N ATOM 0 H GLN A 3 -5.986 -15.625 6.426 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.049 -15.983 6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.726 -13.782 7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.099 -14.477 8.411 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.418 -15.791 9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.158 -14.813 9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.350 -12.370 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.188 -11.738 10.787 1.00 0.00 H new ATOM 56 N TYR A 4 -3.579 -18.085 8.017 1.00 0.00 N ATOM 57 CA TYR A 4 -3.783 -19.302 8.796 1.00 0.00 C ATOM 58 C TYR A 4 -2.832 -19.247 9.991 1.00 0.00 C ATOM 59 O TYR A 4 -1.753 -18.655 9.913 1.00 0.00 O ATOM 60 CB TYR A 4 -3.466 -20.571 7.973 1.00 0.00 C ATOM 61 CG TYR A 4 -4.499 -21.102 6.984 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.495 -20.290 6.402 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.446 -22.469 6.639 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.431 -20.833 5.505 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.381 -23.023 5.745 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.385 -22.205 5.179 1.00 0.00 C ATOM 67 OH TYR A 4 -7.315 -22.726 4.330 1.00 0.00 O ATOM 0 H TYR A 4 -2.639 -18.015 7.627 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.828 -19.355 9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.549 -20.378 7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.248 -21.372 8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.539 -19.239 6.648 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.679 -23.098 7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.186 -20.199 5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.331 -24.072 5.492 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.145 -23.683 4.206 1.00 0.00 H new ATOM 77 N ARG A 5 -3.184 -19.957 11.059 1.00 0.00 N ATOM 78 CA ARG A 5 -2.259 -20.395 12.097 1.00 0.00 C ATOM 79 C ARG A 5 -2.348 -21.913 12.107 1.00 0.00 C ATOM 80 O ARG A 5 -3.430 -22.451 11.881 1.00 0.00 O ATOM 81 CB ARG A 5 -2.632 -19.793 13.460 1.00 0.00 C ATOM 82 CG ARG A 5 -1.549 -20.079 14.513 1.00 0.00 C ATOM 83 CD ARG A 5 -1.957 -19.721 15.940 1.00 0.00 C ATOM 84 NE ARG A 5 -3.106 -20.507 16.419 1.00 0.00 N ATOM 85 CZ ARG A 5 -3.316 -20.894 17.683 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.397 -20.714 18.635 1.00 0.00 N ATOM 87 NH2 ARG A 5 -4.477 -21.470 17.965 1.00 0.00 N ATOM 0 H ARG A 5 -4.146 -20.251 11.230 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.240 -20.062 11.899 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.769 -18.716 13.359 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.584 -20.205 13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.291 -21.137 14.475 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.649 -19.522 14.253 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.110 -19.882 16.606 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.203 -18.660 15.987 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.803 -20.781 15.727 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.507 -20.271 18.407 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.585 -21.019 19.590 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.172 -21.604 17.230 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.675 -21.779 18.917 1.00 0.00 H new ATOM 101 N ILE A 6 -1.242 -22.605 12.340 1.00 0.00 N ATOM 102 CA ILE A 6 -1.184 -24.058 12.363 1.00 0.00 C ATOM 103 C ILE A 6 -0.407 -24.415 13.632 1.00 0.00 C ATOM 104 O ILE A 6 0.542 -23.720 14.000 1.00 0.00 O ATOM 105 CB ILE A 6 -0.543 -24.599 11.058 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.198 -24.011 9.779 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.609 -26.137 11.024 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.421 -24.276 8.485 1.00 0.00 C ATOM 0 H ILE A 6 -0.341 -22.162 12.522 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.169 -24.524 12.394 1.00 0.00 H new ATOM 0 HB ILE A 6 0.498 -24.277 11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.201 -24.426 9.677 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.310 -22.934 9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.155 -26.500 10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.069 -26.543 11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.650 -26.458 11.067 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.952 -23.830 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.573 -23.836 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.331 -25.351 8.328 1.00 0.00 H new ATOM 120 N ILE A 7 -0.818 -25.486 14.304 1.00 0.00 N ATOM 121 CA ILE A 7 -0.262 -25.962 15.564 1.00 0.00 C ATOM 122 C ILE A 7 -0.023 -27.454 15.356 1.00 0.00 C ATOM 123 O ILE A 7 -0.870 -28.121 14.761 1.00 0.00 O ATOM 124 CB ILE A 7 -1.255 -25.669 16.718 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.583 -24.164 16.888 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.752 -26.251 18.052 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.404 -23.314 17.358 1.00 0.00 C ATOM 0 H ILE A 7 -1.583 -26.072 13.969 1.00 0.00 H new ATOM 0 HA ILE A 7 0.668 -25.465 15.840 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.183 -26.165 16.434 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.942 -23.772 15.936 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.399 -24.060 17.603 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.471 -26.028 18.840 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.639 -27.331 17.958 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.211 -25.806 18.303 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.719 -22.275 17.451 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.057 -23.676 18.326 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.407 -23.384 16.633 1.00 0.00 H new ATOM 139 N VAL A 8 1.121 -27.977 15.801 1.00 0.00 N ATOM 140 CA VAL A 8 1.560 -29.332 15.463 1.00 0.00 C ATOM 141 C VAL A 8 2.161 -29.977 16.711 1.00 0.00 C ATOM 142 O VAL A 8 2.787 -29.277 17.508 1.00 0.00 O ATOM 143 CB VAL A 8 2.594 -29.288 14.309 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.619 -30.623 13.557 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.374 -28.169 13.273 1.00 0.00 C ATOM 0 H VAL A 8 1.769 -27.473 16.406 1.00 0.00 H new ATOM 0 HA VAL A 8 0.711 -29.926 15.125 1.00 0.00 H new ATOM 0 HB VAL A 8 3.541 -29.081 14.808 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.351 -30.573 12.751 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.892 -31.423 14.245 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.632 -30.824 13.140 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.149 -28.224 12.508 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.396 -28.291 12.808 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.422 -27.200 13.769 1.00 0.00 H new ATOM 155 N ASP A 9 2.028 -31.296 16.874 1.00 0.00 N ATOM 156 CA ASP A 9 2.622 -32.059 17.972 1.00 0.00 C ATOM 157 C ASP A 9 3.057 -33.440 17.474 1.00 0.00 C ATOM 158 O ASP A 9 2.543 -33.926 16.462 1.00 0.00 O ATOM 159 CB ASP A 9 1.609 -32.213 19.114 1.00 0.00 C ATOM 160 CG ASP A 9 2.210 -32.917 20.345 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.396 -32.682 20.668 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.488 -33.697 21.005 1.00 0.00 O ATOM 0 H ASP A 9 1.491 -31.876 16.229 1.00 0.00 H new ATOM 0 HA ASP A 9 3.495 -31.522 18.342 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.243 -31.229 19.405 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.749 -32.781 18.759 1.00 0.00 H new ATOM 167 N GLY A 10 4.008 -34.064 18.171 1.00 0.00 N ATOM 168 CA GLY A 10 4.559 -35.375 17.859 1.00 0.00 C ATOM 169 C GLY A 10 6.065 -35.390 18.103 1.00 0.00 C ATOM 170 O GLY A 10 6.588 -34.591 18.884 1.00 0.00 O ATOM 0 H GLY A 10 4.430 -33.649 19.002 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.077 -36.135 18.474 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.350 -35.626 16.819 1.00 0.00 H new ATOM 174 N ARG A 11 6.783 -36.267 17.398 1.00 0.00 N ATOM 175 CA ARG A 11 8.219 -36.117 17.171 1.00 0.00 C ATOM 176 C ARG A 11 8.369 -34.969 16.171 1.00 0.00 C ATOM 177 O ARG A 11 8.403 -35.206 14.963 1.00 0.00 O ATOM 178 CB ARG A 11 8.809 -37.445 16.662 1.00 0.00 C ATOM 179 CG ARG A 11 10.306 -37.366 16.314 1.00 0.00 C ATOM 180 CD ARG A 11 10.777 -38.660 15.638 1.00 0.00 C ATOM 181 NE ARG A 11 12.017 -38.438 14.877 1.00 0.00 N ATOM 182 CZ ARG A 11 13.275 -38.645 15.277 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.550 -39.127 16.486 1.00 0.00 N ATOM 184 NH2 ARG A 11 14.249 -38.349 14.428 1.00 0.00 N ATOM 0 H ARG A 11 6.383 -37.101 16.969 1.00 0.00 H new ATOM 0 HA ARG A 11 8.770 -35.881 18.082 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.662 -38.212 17.422 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.256 -37.762 15.778 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.486 -36.519 15.653 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.886 -37.192 17.220 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.942 -39.429 16.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.998 -39.030 14.971 1.00 0.00 H new ATOM 0 HE ARG A 11 11.902 -38.083 13.928 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.792 -39.348 17.132 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.519 -39.276 16.767 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.025 -37.977 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.222 -38.493 14.698 1.00 0.00 H new ATOM 198 N VAL A 12 8.381 -33.734 16.669 1.00 0.00 N ATOM 199 CA VAL A 12 8.368 -32.521 15.853 1.00 0.00 C ATOM 200 C VAL A 12 9.361 -31.478 16.399 1.00 0.00 C ATOM 201 O VAL A 12 9.227 -30.292 16.106 1.00 0.00 O ATOM 202 CB VAL A 12 6.923 -31.978 15.723 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.972 -32.992 15.067 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.311 -31.535 17.064 1.00 0.00 C ATOM 0 H VAL A 12 8.400 -33.545 17.671 1.00 0.00 H new ATOM 0 HA VAL A 12 8.707 -32.762 14.846 1.00 0.00 H new ATOM 0 HB VAL A 12 7.024 -31.102 15.082 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.972 -32.562 15.000 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.331 -33.234 14.067 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.937 -33.900 15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.299 -31.166 16.898 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.280 -32.383 17.748 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.920 -30.741 17.497 1.00 0.00 H new ATOM 214 N GLN A 13 10.339 -31.898 17.212 1.00 0.00 N ATOM 215 CA GLN A 13 11.375 -31.025 17.761 1.00 0.00 C ATOM 216 C GLN A 13 12.717 -31.750 17.708 1.00 0.00 C ATOM 217 O GLN A 13 12.759 -32.973 17.880 1.00 0.00 O ATOM 218 CB GLN A 13 11.086 -30.657 19.225 1.00 0.00 C ATOM 219 CG GLN A 13 9.673 -30.132 19.491 1.00 0.00 C ATOM 220 CD GLN A 13 9.616 -29.301 20.774 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.051 -29.727 21.842 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.099 -28.088 20.687 1.00 0.00 N ATOM 0 H GLN A 13 10.431 -32.869 17.509 1.00 0.00 H new ATOM 0 HA GLN A 13 11.394 -30.112 17.166 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.254 -31.537 19.845 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.804 -29.901 19.543 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.345 -29.524 18.648 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.981 -30.970 19.568 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.742 -27.749 19.794 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.057 -27.491 21.513 1.00 0.00 H new ATOM 231 N GLY A 14 13.806 -31.002 17.550 1.00 0.00 N ATOM 232 CA GLY A 14 15.148 -31.551 17.459 1.00 0.00 C ATOM 233 C GLY A 14 15.317 -32.399 16.199 1.00 0.00 C ATOM 234 O GLY A 14 16.066 -33.380 16.225 1.00 0.00 O ATOM 0 H GLY A 14 13.776 -29.985 17.481 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.876 -30.739 17.454 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.355 -32.159 18.340 1.00 0.00 H new ATOM 238 N VAL A 15 14.613 -32.061 15.117 1.00 0.00 N ATOM 239 CA VAL A 15 14.562 -32.841 13.881 1.00 0.00 C ATOM 240 C VAL A 15 14.720 -31.950 12.639 1.00 0.00 C ATOM 241 O VAL A 15 14.937 -32.473 11.543 1.00 0.00 O ATOM 242 CB VAL A 15 13.277 -33.705 13.827 1.00 0.00 C ATOM 243 CG1 VAL A 15 13.336 -34.871 14.824 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.988 -32.903 14.074 1.00 0.00 C ATOM 0 H VAL A 15 14.047 -31.213 15.076 1.00 0.00 H new ATOM 0 HA VAL A 15 15.412 -33.524 13.878 1.00 0.00 H new ATOM 0 HB VAL A 15 13.241 -34.090 12.808 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.417 -35.454 14.757 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.188 -35.508 14.588 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.444 -34.480 15.836 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.128 -33.571 14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.030 -32.442 15.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.891 -32.127 13.315 1.00 0.00 H new ATOM 254 N GLY A 16 14.678 -30.626 12.791 1.00 0.00 N ATOM 255 CA GLY A 16 14.752 -29.664 11.710 1.00 0.00 C ATOM 256 C GLY A 16 13.350 -29.220 11.306 1.00 0.00 C ATOM 257 O GLY A 16 13.167 -28.817 10.156 1.00 0.00 O ATOM 0 H GLY A 16 14.588 -30.186 13.707 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.340 -28.800 12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.263 -30.106 10.854 1.00 0.00 H new ATOM 261 N PHE A 17 12.349 -29.339 12.184 1.00 0.00 N ATOM 262 CA PHE A 17 10.964 -29.090 11.815 1.00 0.00 C ATOM 263 C PHE A 17 10.777 -27.624 11.419 1.00 0.00 C ATOM 264 O PHE A 17 10.102 -27.345 10.427 1.00 0.00 O ATOM 265 CB PHE A 17 9.999 -29.514 12.929 1.00 0.00 C ATOM 266 CG PHE A 17 8.639 -29.942 12.405 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.674 -28.980 12.051 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.346 -31.309 12.238 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.423 -29.381 11.547 1.00 0.00 C ATOM 270 CE2 PHE A 17 7.099 -31.711 11.729 1.00 0.00 C ATOM 271 CZ PHE A 17 6.134 -30.747 11.385 1.00 0.00 C ATOM 0 H PHE A 17 12.480 -29.608 13.159 1.00 0.00 H new ATOM 0 HA PHE A 17 10.723 -29.704 10.947 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.441 -30.337 13.491 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.870 -28.685 13.625 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.895 -27.929 12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.083 -32.053 12.502 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.684 -28.638 11.284 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.881 -32.761 11.602 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.174 -31.055 10.998 1.00 0.00 H new ATOM 281 N ARG A 18 11.416 -26.677 12.120 1.00 0.00 N ATOM 282 CA ARG A 18 11.411 -25.267 11.713 1.00 0.00 C ATOM 283 C ARG A 18 11.920 -25.090 10.283 1.00 0.00 C ATOM 284 O ARG A 18 11.288 -24.381 9.501 1.00 0.00 O ATOM 285 CB ARG A 18 12.251 -24.443 12.702 1.00 0.00 C ATOM 286 CG ARG A 18 11.437 -24.068 13.948 1.00 0.00 C ATOM 287 CD ARG A 18 12.325 -23.567 15.091 1.00 0.00 C ATOM 288 NE ARG A 18 12.925 -24.677 15.848 1.00 0.00 N ATOM 289 CZ ARG A 18 13.521 -24.574 17.038 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.701 -23.380 17.606 1.00 0.00 N ATOM 291 NH2 ARG A 18 13.916 -25.665 17.674 1.00 0.00 N ATOM 0 H ARG A 18 11.943 -26.864 12.973 1.00 0.00 H new ATOM 0 HA ARG A 18 10.382 -24.907 11.730 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.131 -25.014 12.998 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.608 -23.537 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.713 -23.296 13.688 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.870 -24.936 14.284 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.115 -22.935 14.686 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.734 -22.946 15.764 1.00 0.00 H new ATOM 0 HE ARG A 18 12.882 -25.605 15.427 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.382 -22.536 17.131 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.157 -23.312 18.516 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.765 -26.583 17.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.372 -25.588 18.583 1.00 0.00 H new ATOM 305 N TYR A 19 13.032 -25.731 9.919 1.00 0.00 N ATOM 306 CA TYR A 19 13.602 -25.614 8.585 1.00 0.00 C ATOM 307 C TYR A 19 12.706 -26.280 7.544 1.00 0.00 C ATOM 308 O TYR A 19 12.510 -25.719 6.467 1.00 0.00 O ATOM 309 CB TYR A 19 15.010 -26.213 8.576 1.00 0.00 C ATOM 310 CG TYR A 19 16.030 -25.353 9.301 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.503 -24.172 8.696 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.483 -25.711 10.585 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.424 -23.349 9.367 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.405 -24.893 11.263 1.00 0.00 C ATOM 315 CZ TYR A 19 17.879 -23.706 10.659 1.00 0.00 C ATOM 316 OH TYR A 19 18.772 -22.921 11.326 1.00 0.00 O ATOM 0 H TYR A 19 13.558 -26.343 10.542 1.00 0.00 H new ATOM 0 HA TYR A 19 13.670 -24.559 8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.981 -27.199 9.039 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.331 -26.354 7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.156 -23.897 7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.122 -26.616 11.051 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.784 -22.446 8.897 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.751 -25.172 12.247 1.00 0.00 H new ATOM 0 HH TYR A 19 18.971 -23.320 12.199 1.00 0.00 H new ATOM 326 N PHE A 20 12.127 -27.440 7.855 1.00 0.00 N ATOM 327 CA PHE A 20 11.152 -28.094 6.992 1.00 0.00 C ATOM 328 C PHE A 20 9.988 -27.146 6.699 1.00 0.00 C ATOM 329 O PHE A 20 9.689 -26.898 5.533 1.00 0.00 O ATOM 330 CB PHE A 20 10.677 -29.405 7.636 1.00 0.00 C ATOM 331 CG PHE A 20 9.466 -30.029 6.964 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.605 -30.703 5.736 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.191 -29.908 7.555 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.477 -31.259 5.106 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.063 -30.453 6.916 1.00 0.00 C ATOM 336 CZ PHE A 20 7.206 -31.133 5.695 1.00 0.00 C ATOM 0 H PHE A 20 12.324 -27.951 8.715 1.00 0.00 H new ATOM 0 HA PHE A 20 11.618 -28.344 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.497 -30.123 7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.440 -29.217 8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.579 -30.793 5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.081 -29.396 8.500 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.587 -31.784 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.086 -30.349 7.364 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.341 -31.559 5.209 1.00 0.00 H new ATOM 346 N VAL A 21 9.379 -26.557 7.731 1.00 0.00 N ATOM 347 CA VAL A 21 8.272 -25.623 7.562 1.00 0.00 C ATOM 348 C VAL A 21 8.720 -24.415 6.727 1.00 0.00 C ATOM 349 O VAL A 21 7.980 -23.999 5.837 1.00 0.00 O ATOM 350 CB VAL A 21 7.709 -25.237 8.945 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.676 -24.108 8.856 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.009 -26.437 9.605 1.00 0.00 C ATOM 0 H VAL A 21 9.641 -26.716 8.704 1.00 0.00 H new ATOM 0 HA VAL A 21 7.460 -26.093 7.007 1.00 0.00 H new ATOM 0 HB VAL A 21 8.565 -24.908 9.534 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.309 -23.871 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.141 -23.223 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.843 -24.426 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.620 -26.141 10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.187 -26.772 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.723 -27.250 9.732 1.00 0.00 H new ATOM 362 N GLN A 22 9.928 -23.884 6.956 1.00 0.00 N ATOM 363 CA GLN A 22 10.458 -22.765 6.186 1.00 0.00 C ATOM 364 C GLN A 22 10.525 -23.127 4.697 1.00 0.00 C ATOM 365 O GLN A 22 10.096 -22.340 3.853 1.00 0.00 O ATOM 366 CB GLN A 22 11.837 -22.367 6.748 1.00 0.00 C ATOM 367 CG GLN A 22 12.409 -21.090 6.113 1.00 0.00 C ATOM 368 CD GLN A 22 13.838 -20.788 6.572 1.00 0.00 C ATOM 369 OE1 GLN A 22 14.716 -21.647 6.551 1.00 0.00 O ATOM 370 NE2 GLN A 22 14.112 -19.559 6.984 1.00 0.00 N ATOM 0 H GLN A 22 10.561 -24.222 7.681 1.00 0.00 H new ATOM 0 HA GLN A 22 9.795 -21.905 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.754 -22.223 7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.537 -23.188 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.395 -21.191 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.766 -20.246 6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.378 -18.851 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.057 -19.321 7.286 1.00 0.00 H new ATOM 379 N MET A 23 11.037 -24.314 4.362 1.00 0.00 N ATOM 380 CA MET A 23 11.193 -24.728 2.971 1.00 0.00 C ATOM 381 C MET A 23 9.841 -25.059 2.333 1.00 0.00 C ATOM 382 O MET A 23 9.644 -24.746 1.161 1.00 0.00 O ATOM 383 CB MET A 23 12.139 -25.933 2.876 1.00 0.00 C ATOM 384 CG MET A 23 13.586 -25.552 3.219 1.00 0.00 C ATOM 385 SD MET A 23 14.799 -26.896 3.061 1.00 0.00 S ATOM 386 CE MET A 23 14.311 -27.958 4.449 1.00 0.00 C ATOM 0 H MET A 23 11.351 -25.007 5.042 1.00 0.00 H new ATOM 0 HA MET A 23 11.627 -23.894 2.420 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.799 -26.716 3.554 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.101 -26.346 1.868 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.892 -24.730 2.571 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.613 -25.178 4.242 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.007 -28.793 4.531 1.00 0.00 H new ATOM 0 HE2 MET A 23 14.328 -27.380 5.373 1.00 0.00 H new ATOM 0 HE3 MET A 23 13.305 -28.340 4.278 1.00 0.00 H new ATOM 396 N GLU A 24 8.889 -25.644 3.066 1.00 0.00 N ATOM 397 CA GLU A 24 7.557 -25.902 2.537 1.00 0.00 C ATOM 398 C GLU A 24 6.822 -24.582 2.281 1.00 0.00 C ATOM 399 O GLU A 24 6.163 -24.441 1.249 1.00 0.00 O ATOM 400 CB GLU A 24 6.762 -26.802 3.495 1.00 0.00 C ATOM 401 CG GLU A 24 7.261 -28.256 3.551 1.00 0.00 C ATOM 402 CD GLU A 24 7.302 -28.930 2.171 1.00 0.00 C ATOM 403 OE1 GLU A 24 6.227 -29.225 1.604 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.404 -29.145 1.620 1.00 0.00 O ATOM 0 H GLU A 24 9.022 -25.947 4.031 1.00 0.00 H new ATOM 0 HA GLU A 24 7.653 -26.427 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.806 -26.375 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.715 -26.800 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.259 -28.275 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.612 -28.832 4.211 1.00 0.00 H new ATOM 411 N ALA A 25 6.976 -23.596 3.170 1.00 0.00 N ATOM 412 CA ALA A 25 6.415 -22.268 2.977 1.00 0.00 C ATOM 413 C ALA A 25 7.035 -21.608 1.748 1.00 0.00 C ATOM 414 O ALA A 25 6.311 -20.985 0.975 1.00 0.00 O ATOM 415 CB ALA A 25 6.645 -21.404 4.218 1.00 0.00 C ATOM 0 H ALA A 25 7.494 -23.703 4.042 1.00 0.00 H new ATOM 0 HA ALA A 25 5.341 -22.364 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.219 -20.414 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.165 -21.869 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.715 -21.312 4.404 1.00 0.00 H new ATOM 421 N ASP A 26 8.347 -21.771 1.538 1.00 0.00 N ATOM 422 CA ASP A 26 9.043 -21.257 0.360 1.00 0.00 C ATOM 423 C ASP A 26 8.513 -21.919 -0.912 1.00 0.00 C ATOM 424 O ASP A 26 8.192 -21.240 -1.885 1.00 0.00 O ATOM 425 CB ASP A 26 10.559 -21.482 0.463 1.00 0.00 C ATOM 426 CG ASP A 26 11.292 -20.609 -0.570 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.286 -20.945 -1.775 1.00 0.00 O ATOM 428 OD2 ASP A 26 11.877 -19.575 -0.177 1.00 0.00 O ATOM 0 H ASP A 26 8.957 -22.267 2.188 1.00 0.00 H new ATOM 0 HA ASP A 26 8.854 -20.185 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.904 -21.238 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.791 -22.533 0.293 1.00 0.00 H new ATOM 433 N LYS A 27 8.336 -23.243 -0.899 1.00 0.00 N ATOM 434 CA LYS A 27 7.769 -24.002 -2.015 1.00 0.00 C ATOM 435 C LYS A 27 6.355 -23.523 -2.352 1.00 0.00 C ATOM 436 O LYS A 27 5.963 -23.519 -3.517 1.00 0.00 O ATOM 437 CB LYS A 27 7.868 -25.501 -1.668 1.00 0.00 C ATOM 438 CG LYS A 27 7.316 -26.477 -2.725 1.00 0.00 C ATOM 439 CD LYS A 27 5.829 -26.849 -2.558 1.00 0.00 C ATOM 440 CE LYS A 27 5.491 -27.560 -1.234 1.00 0.00 C ATOM 441 NZ LYS A 27 6.143 -28.885 -1.105 1.00 0.00 N ATOM 0 H LYS A 27 8.587 -23.826 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 27 8.334 -23.834 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.916 -25.744 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.337 -25.673 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.456 -26.036 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.909 -27.391 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.230 -25.941 -2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.534 -27.493 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.797 -26.928 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.411 -27.684 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.948 -29.277 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.769 -29.528 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.170 -28.780 -1.231 1.00 0.00 H new ATOM 455 N ARG A 28 5.581 -23.099 -1.353 1.00 0.00 N ATOM 456 CA ARG A 28 4.254 -22.506 -1.522 1.00 0.00 C ATOM 457 C ARG A 28 4.300 -20.978 -1.690 1.00 0.00 C ATOM 458 O ARG A 28 3.242 -20.366 -1.831 1.00 0.00 O ATOM 459 CB ARG A 28 3.390 -22.939 -0.321 1.00 0.00 C ATOM 460 CG ARG A 28 3.099 -24.450 -0.222 1.00 0.00 C ATOM 461 CD ARG A 28 2.089 -24.982 -1.251 1.00 0.00 C ATOM 462 NE ARG A 28 2.633 -25.046 -2.622 1.00 0.00 N ATOM 463 CZ ARG A 28 1.964 -25.427 -3.719 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.700 -25.826 -3.639 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.574 -25.403 -4.901 1.00 0.00 N ATOM 0 H ARG A 28 5.868 -23.160 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 28 3.810 -22.869 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.888 -22.622 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.440 -22.406 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.036 -24.994 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.726 -24.669 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.764 -25.978 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.206 -24.343 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 28 3.609 -24.775 -2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.227 -25.845 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.202 -26.114 -4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.544 -25.096 -4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.071 -25.692 -5.740 1.00 0.00 H new ATOM 479 N LYS A 29 5.491 -20.362 -1.703 1.00 0.00 N ATOM 480 CA LYS A 29 5.740 -18.915 -1.715 1.00 0.00 C ATOM 481 C LYS A 29 4.796 -18.148 -0.776 1.00 0.00 C ATOM 482 O LYS A 29 4.322 -17.059 -1.106 1.00 0.00 O ATOM 483 CB LYS A 29 5.774 -18.386 -3.165 1.00 0.00 C ATOM 484 CG LYS A 29 6.921 -18.963 -4.018 1.00 0.00 C ATOM 485 CD LYS A 29 8.311 -18.432 -3.613 1.00 0.00 C ATOM 486 CE LYS A 29 9.425 -19.050 -4.472 1.00 0.00 C ATOM 487 NZ LYS A 29 9.769 -20.431 -4.055 1.00 0.00 N ATOM 0 H LYS A 29 6.360 -20.896 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 29 6.730 -18.728 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.824 -18.618 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.863 -17.300 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.916 -20.050 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.740 -18.725 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.331 -17.347 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.495 -18.656 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.112 -19.057 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.315 -18.424 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.967 -21.009 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.610 -20.410 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.971 -20.844 -3.531 1.00 0.00 H new ATOM 501 N LEU A 30 4.511 -18.725 0.393 1.00 0.00 N ATOM 502 CA LEU A 30 3.778 -18.067 1.463 1.00 0.00 C ATOM 503 C LEU A 30 4.682 -17.037 2.139 1.00 0.00 C ATOM 504 O LEU A 30 5.908 -17.081 2.004 1.00 0.00 O ATOM 505 CB LEU A 30 3.318 -19.113 2.493 1.00 0.00 C ATOM 506 CG LEU A 30 2.248 -20.089 1.972 1.00 0.00 C ATOM 507 CD1 LEU A 30 1.946 -21.130 3.049 1.00 0.00 C ATOM 508 CD2 LEU A 30 0.944 -19.396 1.572 1.00 0.00 C ATOM 0 H LEU A 30 4.790 -19.679 0.621 1.00 0.00 H new ATOM 0 HA LEU A 30 2.904 -17.564 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.185 -19.685 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.925 -18.595 3.368 1.00 0.00 H new ATOM 0 HG LEU A 30 2.655 -20.555 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.188 -21.823 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.856 -21.680 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.578 -20.630 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.232 -20.139 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.526 -18.880 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.144 -18.674 0.780 1.00 0.00 H new ATOM 520 N ALA A 31 4.072 -16.158 2.931 1.00 0.00 N ATOM 521 CA ALA A 31 4.756 -15.355 3.936 1.00 0.00 C ATOM 522 C ALA A 31 4.282 -15.828 5.311 1.00 0.00 C ATOM 523 O ALA A 31 3.262 -16.513 5.391 1.00 0.00 O ATOM 524 CB ALA A 31 4.412 -13.885 3.717 1.00 0.00 C ATOM 0 H ALA A 31 3.068 -15.982 2.889 1.00 0.00 H new ATOM 0 HA ALA A 31 5.838 -15.466 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.920 -13.277 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.735 -13.580 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.335 -13.746 3.807 1.00 0.00 H new ATOM 530 N GLY A 32 4.996 -15.495 6.389 1.00 0.00 N ATOM 531 CA GLY A 32 4.646 -15.974 7.720 1.00 0.00 C ATOM 532 C GLY A 32 5.849 -16.143 8.635 1.00 0.00 C ATOM 533 O GLY A 32 6.943 -15.639 8.367 1.00 0.00 O ATOM 0 H GLY A 32 5.820 -14.895 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.946 -15.275 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.130 -16.930 7.630 1.00 0.00 H new ATOM 537 N TRP A 33 5.657 -16.882 9.722 1.00 0.00 N ATOM 538 CA TRP A 33 6.741 -17.332 10.566 1.00 0.00 C ATOM 539 C TRP A 33 6.446 -18.698 11.180 1.00 0.00 C ATOM 540 O TRP A 33 5.299 -19.158 11.188 1.00 0.00 O ATOM 541 CB TRP A 33 7.060 -16.272 11.633 1.00 0.00 C ATOM 542 CG TRP A 33 5.907 -15.832 12.486 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.506 -16.412 13.639 1.00 0.00 C ATOM 544 CD2 TRP A 33 4.987 -14.718 12.265 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.420 -15.731 14.153 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.062 -14.668 13.351 1.00 0.00 C ATOM 547 CE3 TRP A 33 4.846 -13.736 11.258 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.063 -13.685 13.441 1.00 0.00 C ATOM 549 CZ3 TRP A 33 3.836 -12.756 11.330 1.00 0.00 C ATOM 550 CH2 TRP A 33 2.949 -12.727 12.420 1.00 0.00 C ATOM 0 H TRP A 33 4.736 -17.184 10.039 1.00 0.00 H new ATOM 0 HA TRP A 33 7.629 -17.460 9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.840 -16.665 12.285 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.473 -15.395 11.134 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.966 -17.278 14.091 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.942 -15.983 15.018 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.525 -13.737 10.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.390 -13.666 14.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.743 -12.023 10.543 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.181 -11.969 12.472 1.00 0.00 H new ATOM 561 N VAL A 34 7.484 -19.322 11.739 1.00 0.00 N ATOM 562 CA VAL A 34 7.391 -20.567 12.498 1.00 0.00 C ATOM 563 C VAL A 34 8.241 -20.446 13.759 1.00 0.00 C ATOM 564 O VAL A 34 9.328 -19.866 13.717 1.00 0.00 O ATOM 565 CB VAL A 34 7.803 -21.768 11.613 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.234 -21.680 11.056 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.652 -23.104 12.358 1.00 0.00 C ATOM 0 H VAL A 34 8.437 -18.965 11.674 1.00 0.00 H new ATOM 0 HA VAL A 34 6.361 -20.747 12.805 1.00 0.00 H new ATOM 0 HB VAL A 34 7.115 -21.724 10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.442 -22.560 10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.332 -20.784 10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.944 -21.634 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.951 -23.922 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.285 -23.100 13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.612 -23.239 12.655 1.00 0.00 H new ATOM 577 N LYS A 35 7.779 -21.039 14.861 1.00 0.00 N ATOM 578 CA LYS A 35 8.553 -21.231 16.081 1.00 0.00 C ATOM 579 C LYS A 35 8.254 -22.621 16.635 1.00 0.00 C ATOM 580 O LYS A 35 7.241 -23.232 16.281 1.00 0.00 O ATOM 581 CB LYS A 35 8.262 -20.113 17.099 1.00 0.00 C ATOM 582 CG LYS A 35 6.796 -20.030 17.556 1.00 0.00 C ATOM 583 CD LYS A 35 6.654 -19.008 18.691 1.00 0.00 C ATOM 584 CE LYS A 35 5.177 -18.804 19.046 1.00 0.00 C ATOM 585 NZ LYS A 35 5.006 -17.964 20.256 1.00 0.00 N ATOM 0 H LYS A 35 6.830 -21.408 14.928 1.00 0.00 H new ATOM 0 HA LYS A 35 9.619 -21.169 15.863 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.894 -20.263 17.974 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.547 -19.157 16.660 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.161 -19.744 16.717 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.456 -21.009 17.893 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.201 -19.352 19.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.097 -18.058 18.391 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.664 -18.337 18.205 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.706 -19.774 19.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.992 -17.852 20.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.473 -18.421 21.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.432 -17.029 20.093 1.00 0.00 H new ATOM 599 N ASN A 36 9.120 -23.120 17.515 1.00 0.00 N ATOM 600 CA ASN A 36 8.989 -24.451 18.096 1.00 0.00 C ATOM 601 C ASN A 36 9.014 -24.279 19.611 1.00 0.00 C ATOM 602 O ASN A 36 9.998 -23.787 20.167 1.00 0.00 O ATOM 603 CB ASN A 36 10.081 -25.390 17.548 1.00 0.00 C ATOM 604 CG ASN A 36 9.604 -26.835 17.462 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.614 -27.197 18.090 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.245 -27.671 16.669 1.00 0.00 N ATOM 0 H ASN A 36 9.937 -22.607 17.846 1.00 0.00 H new ATOM 0 HA ASN A 36 8.050 -24.931 17.820 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.388 -25.050 16.559 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.960 -25.336 18.190 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.919 -28.633 16.571 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.067 -27.356 16.153 1.00 0.00 H new ATOM 613 N ARG A 37 7.875 -24.532 20.255 1.00 0.00 N ATOM 614 CA ARG A 37 7.531 -24.012 21.576 1.00 0.00 C ATOM 615 C ARG A 37 8.126 -24.896 22.666 1.00 0.00 C ATOM 616 O ARG A 37 8.276 -26.104 22.479 1.00 0.00 O ATOM 617 CB ARG A 37 5.997 -23.965 21.718 1.00 0.00 C ATOM 618 CG ARG A 37 5.300 -23.058 20.680 1.00 0.00 C ATOM 619 CD ARG A 37 3.772 -23.214 20.703 1.00 0.00 C ATOM 620 NE ARG A 37 3.222 -23.051 22.057 1.00 0.00 N ATOM 621 CZ ARG A 37 2.732 -21.944 22.624 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.486 -20.832 21.935 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.500 -21.980 23.930 1.00 0.00 N ATOM 0 H ARG A 37 7.144 -25.123 19.859 1.00 0.00 H new ATOM 0 HA ARG A 37 7.941 -23.008 21.684 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.602 -24.977 21.625 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.745 -23.615 22.719 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.560 -22.018 20.877 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.673 -23.297 19.684 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.322 -22.477 20.038 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.502 -24.197 20.318 1.00 0.00 H new ATOM 0 HE ARG A 37 3.213 -23.890 22.638 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.672 -20.802 20.933 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.112 -20.010 22.410 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.696 -22.830 24.459 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.126 -21.158 24.404 1.00 0.00 H new ATOM 637 N ASP A 38 8.391 -24.322 23.839 1.00 0.00 N ATOM 638 CA ASP A 38 8.943 -25.067 24.974 1.00 0.00 C ATOM 639 C ASP A 38 7.972 -26.135 25.487 1.00 0.00 C ATOM 640 O ASP A 38 8.400 -27.183 25.966 1.00 0.00 O ATOM 641 CB ASP A 38 9.314 -24.103 26.105 1.00 0.00 C ATOM 642 CG ASP A 38 9.864 -24.858 27.328 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.016 -25.346 27.276 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.165 -24.931 28.363 1.00 0.00 O ATOM 0 H ASP A 38 8.231 -23.333 24.031 1.00 0.00 H new ATOM 0 HA ASP A 38 9.839 -25.581 24.625 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.059 -23.392 25.749 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.436 -23.526 26.396 1.00 0.00 H new ATOM 649 N ASP A 39 6.664 -25.899 25.334 1.00 0.00 N ATOM 650 CA ASP A 39 5.619 -26.869 25.672 1.00 0.00 C ATOM 651 C ASP A 39 5.610 -28.100 24.753 1.00 0.00 C ATOM 652 O ASP A 39 4.934 -29.084 25.068 1.00 0.00 O ATOM 653 CB ASP A 39 4.231 -26.211 25.741 1.00 0.00 C ATOM 654 CG ASP A 39 3.636 -25.767 24.401 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.626 -26.519 23.405 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.096 -24.639 24.354 1.00 0.00 O ATOM 0 H ASP A 39 6.299 -25.020 24.968 1.00 0.00 H new ATOM 0 HA ASP A 39 5.867 -27.236 26.668 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.540 -26.912 26.209 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.294 -25.341 26.395 1.00 0.00 H new ATOM 661 N GLY A 40 6.369 -28.081 23.651 1.00 0.00 N ATOM 662 CA GLY A 40 6.572 -29.224 22.771 1.00 0.00 C ATOM 663 C GLY A 40 5.944 -29.042 21.389 1.00 0.00 C ATOM 664 O GLY A 40 6.360 -29.714 20.442 1.00 0.00 O ATOM 0 H GLY A 40 6.869 -27.247 23.344 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.642 -29.400 22.656 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.151 -30.114 23.239 1.00 0.00 H new ATOM 668 N ARG A 41 4.940 -28.168 21.250 1.00 0.00 N ATOM 669 CA ARG A 41 4.237 -27.983 19.989 1.00 0.00 C ATOM 670 C ARG A 41 5.064 -27.125 19.044 1.00 0.00 C ATOM 671 O ARG A 41 5.830 -26.265 19.477 1.00 0.00 O ATOM 672 CB ARG A 41 2.869 -27.333 20.243 1.00 0.00 C ATOM 673 CG ARG A 41 1.928 -28.274 21.015 1.00 0.00 C ATOM 674 CD ARG A 41 0.641 -27.568 21.446 1.00 0.00 C ATOM 675 NE ARG A 41 0.910 -26.525 22.451 1.00 0.00 N ATOM 676 CZ ARG A 41 0.002 -25.696 22.978 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.279 -25.769 22.620 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.385 -24.793 23.870 1.00 0.00 N ATOM 0 H ARG A 41 4.599 -27.576 22.007 1.00 0.00 H new ATOM 0 HA ARG A 41 4.083 -28.957 19.524 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.004 -26.410 20.807 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.412 -27.062 19.291 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.679 -29.132 20.390 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.443 -28.660 21.895 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.160 -27.121 20.576 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.057 -28.298 21.855 1.00 0.00 H new ATOM 0 HE ARG A 41 1.873 -26.426 22.773 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.579 -26.464 21.936 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.960 -25.130 23.030 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.364 -24.735 24.149 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.300 -24.156 24.278 1.00 0.00 H new ATOM 692 N VAL A 42 4.842 -27.282 17.749 1.00 0.00 N ATOM 693 CA VAL A 42 5.250 -26.300 16.752 1.00 0.00 C ATOM 694 C VAL A 42 4.075 -25.336 16.616 1.00 0.00 C ATOM 695 O VAL A 42 2.917 -25.758 16.729 1.00 0.00 O ATOM 696 CB VAL A 42 5.585 -26.959 15.392 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.442 -26.027 14.520 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.316 -28.301 15.520 1.00 0.00 C ATOM 0 H VAL A 42 4.372 -28.097 17.356 1.00 0.00 H new ATOM 0 HA VAL A 42 6.161 -25.789 17.062 1.00 0.00 H new ATOM 0 HB VAL A 42 4.618 -27.145 14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.662 -26.517 13.571 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.898 -25.101 14.333 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.375 -25.802 15.036 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.517 -28.702 14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.257 -28.153 16.049 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.694 -29.003 16.075 1.00 0.00 H new ATOM 708 N GLU A 43 4.358 -24.069 16.324 1.00 0.00 N ATOM 709 CA GLU A 43 3.352 -23.072 15.995 1.00 0.00 C ATOM 710 C GLU A 43 3.837 -22.310 14.766 1.00 0.00 C ATOM 711 O GLU A 43 5.009 -21.943 14.662 1.00 0.00 O ATOM 712 CB GLU A 43 3.096 -22.188 17.224 1.00 0.00 C ATOM 713 CG GLU A 43 2.166 -20.985 16.985 1.00 0.00 C ATOM 714 CD GLU A 43 1.624 -20.414 18.312 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.426 -20.241 19.259 1.00 0.00 O ATOM 716 OE2 GLU A 43 0.404 -20.143 18.412 1.00 0.00 O ATOM 0 H GLU A 43 5.310 -23.704 16.310 1.00 0.00 H new ATOM 0 HA GLU A 43 2.389 -23.517 15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.668 -22.806 18.013 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.053 -21.819 17.592 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.708 -20.207 16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.333 -21.289 16.352 1.00 0.00 H new ATOM 723 N ILE A 44 2.927 -22.108 13.819 1.00 0.00 N ATOM 724 CA ILE A 44 3.174 -21.527 12.513 1.00 0.00 C ATOM 725 C ILE A 44 2.062 -20.499 12.319 1.00 0.00 C ATOM 726 O ILE A 44 0.919 -20.771 12.692 1.00 0.00 O ATOM 727 CB ILE A 44 3.096 -22.606 11.396 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.662 -24.000 11.775 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.782 -22.059 10.134 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.504 -25.076 10.690 1.00 0.00 C ATOM 0 H ILE A 44 1.948 -22.360 13.953 1.00 0.00 H new ATOM 0 HA ILE A 44 4.169 -21.085 12.455 1.00 0.00 H new ATOM 0 HB ILE A 44 2.036 -22.792 11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.721 -23.895 12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.166 -24.344 12.683 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.735 -22.806 9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.274 -21.151 9.808 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.824 -21.831 10.356 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.928 -26.015 11.045 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.446 -25.216 10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.025 -24.761 9.786 1.00 0.00 H new ATOM 742 N LEU A 45 2.351 -19.363 11.694 1.00 0.00 N ATOM 743 CA LEU A 45 1.340 -18.409 11.254 1.00 0.00 C ATOM 744 C LEU A 45 1.777 -17.965 9.872 1.00 0.00 C ATOM 745 O LEU A 45 2.925 -17.559 9.709 1.00 0.00 O ATOM 746 CB LEU A 45 1.222 -17.261 12.272 1.00 0.00 C ATOM 747 CG LEU A 45 0.010 -16.333 12.035 1.00 0.00 C ATOM 748 CD1 LEU A 45 -0.332 -15.598 13.337 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.250 -15.286 10.936 1.00 0.00 C ATOM 0 H LEU A 45 3.305 -19.075 11.476 1.00 0.00 H new ATOM 0 HA LEU A 45 0.338 -18.835 11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.152 -17.684 13.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.134 -16.665 12.240 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.810 -16.972 11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.187 -14.943 13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.577 -16.325 14.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.524 -15.003 13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.641 -14.668 10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.096 -14.656 11.212 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.465 -15.790 9.994 1.00 0.00 H new ATOM 761 N ALA A 46 0.907 -18.093 8.872 1.00 0.00 N ATOM 762 CA ALA A 46 1.247 -17.874 7.475 1.00 0.00 C ATOM 763 C ALA A 46 0.125 -17.122 6.775 1.00 0.00 C ATOM 764 O ALA A 46 -1.019 -17.147 7.227 1.00 0.00 O ATOM 765 CB ALA A 46 1.521 -19.217 6.788 1.00 0.00 C ATOM 0 H ALA A 46 -0.068 -18.356 9.016 1.00 0.00 H new ATOM 0 HA ALA A 46 2.151 -17.267 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.775 -19.045 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.352 -19.718 7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.631 -19.844 6.847 1.00 0.00 H new ATOM 771 N GLU A 47 0.445 -16.478 5.657 1.00 0.00 N ATOM 772 CA GLU A 47 -0.471 -15.663 4.878 1.00 0.00 C ATOM 773 C GLU A 47 -0.214 -15.940 3.401 1.00 0.00 C ATOM 774 O GLU A 47 0.938 -16.147 3.000 1.00 0.00 O ATOM 775 CB GLU A 47 -0.283 -14.167 5.192 1.00 0.00 C ATOM 776 CG GLU A 47 -0.515 -13.838 6.676 1.00 0.00 C ATOM 777 CD GLU A 47 -0.701 -12.342 6.959 1.00 0.00 C ATOM 778 OE1 GLU A 47 -0.127 -11.486 6.252 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.462 -12.002 7.891 1.00 0.00 O ATOM 0 H GLU A 47 1.383 -16.513 5.257 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.499 -15.918 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.726 -13.865 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.972 -13.583 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.397 -14.376 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.332 -14.205 7.256 1.00 0.00 H new ATOM 786 N GLY A 48 -1.278 -15.950 2.594 1.00 0.00 N ATOM 787 CA GLY A 48 -1.189 -16.315 1.183 1.00 0.00 C ATOM 788 C GLY A 48 -2.556 -16.631 0.578 1.00 0.00 C ATOM 789 O GLY A 48 -3.578 -16.382 1.223 1.00 0.00 O ATOM 0 H GLY A 48 -2.220 -15.706 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.728 -15.498 0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.537 -17.182 1.075 1.00 0.00 H new ATOM 793 N PRO A 49 -2.612 -17.142 -0.663 1.00 0.00 N ATOM 794 CA PRO A 49 -3.851 -17.616 -1.263 1.00 0.00 C ATOM 795 C PRO A 49 -4.301 -18.932 -0.612 1.00 0.00 C ATOM 796 O PRO A 49 -3.485 -19.724 -0.132 1.00 0.00 O ATOM 797 CB PRO A 49 -3.544 -17.770 -2.755 1.00 0.00 C ATOM 798 CG PRO A 49 -2.048 -18.073 -2.788 1.00 0.00 C ATOM 799 CD PRO A 49 -1.490 -17.323 -1.577 1.00 0.00 C ATOM 0 HA PRO A 49 -4.680 -16.925 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.126 -18.576 -3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.781 -16.861 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.856 -19.144 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.592 -17.728 -3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.688 -17.889 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.069 -16.362 -1.873 1.00 0.00 H new ATOM 807 N GLU A 50 -5.612 -19.184 -0.625 1.00 0.00 N ATOM 808 CA GLU A 50 -6.232 -20.288 0.108 1.00 0.00 C ATOM 809 C GLU A 50 -5.724 -21.654 -0.367 1.00 0.00 C ATOM 810 O GLU A 50 -5.595 -22.574 0.438 1.00 0.00 O ATOM 811 CB GLU A 50 -7.760 -20.179 -0.031 1.00 0.00 C ATOM 812 CG GLU A 50 -8.506 -21.137 0.910 1.00 0.00 C ATOM 813 CD GLU A 50 -10.034 -20.966 0.834 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.636 -21.286 -0.216 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.649 -20.528 1.834 1.00 0.00 O ATOM 0 H GLU A 50 -6.280 -18.620 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.954 -20.211 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.069 -19.155 0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.044 -20.392 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.246 -22.165 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.175 -20.966 1.934 1.00 0.00 H new ATOM 822 N ASN A 51 -5.425 -21.822 -1.659 1.00 0.00 N ATOM 823 CA ASN A 51 -4.931 -23.106 -2.166 1.00 0.00 C ATOM 824 C ASN A 51 -3.522 -23.404 -1.656 1.00 0.00 C ATOM 825 O ASN A 51 -3.220 -24.540 -1.283 1.00 0.00 O ATOM 826 CB ASN A 51 -4.945 -23.126 -3.699 1.00 0.00 C ATOM 827 CG ASN A 51 -4.410 -24.457 -4.224 1.00 0.00 C ATOM 828 OD1 ASN A 51 -5.016 -25.505 -4.018 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.274 -24.455 -4.902 1.00 0.00 N ATOM 0 H ASN A 51 -5.515 -21.093 -2.367 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.600 -23.882 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.961 -22.968 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.338 -22.307 -4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.892 -25.330 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.780 -23.578 -5.067 1.00 0.00 H new ATOM 836 N ALA A 52 -2.663 -22.383 -1.612 1.00 0.00 N ATOM 837 CA ALA A 52 -1.303 -22.522 -1.106 1.00 0.00 C ATOM 838 C ALA A 52 -1.331 -22.804 0.396 1.00 0.00 C ATOM 839 O ALA A 52 -0.578 -23.647 0.876 1.00 0.00 O ATOM 840 CB ALA A 52 -0.496 -21.255 -1.403 1.00 0.00 C ATOM 0 H ALA A 52 -2.894 -21.440 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.821 -23.361 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.518 -21.371 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.461 -21.090 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.970 -20.400 -0.921 1.00 0.00 H new ATOM 846 N LEU A 53 -2.214 -22.126 1.136 1.00 0.00 N ATOM 847 CA LEU A 53 -2.367 -22.328 2.570 1.00 0.00 C ATOM 848 C LEU A 53 -2.903 -23.734 2.863 1.00 0.00 C ATOM 849 O LEU A 53 -2.390 -24.401 3.759 1.00 0.00 O ATOM 850 CB LEU A 53 -3.287 -21.239 3.143 1.00 0.00 C ATOM 851 CG LEU A 53 -2.636 -19.841 3.201 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.705 -18.781 3.467 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.567 -19.742 4.296 1.00 0.00 C ATOM 0 H LEU A 53 -2.842 -21.421 0.751 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.394 -22.248 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.191 -21.184 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.595 -21.528 4.148 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.155 -19.673 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.239 -17.796 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.444 -18.801 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.195 -18.989 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.139 -18.740 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.021 -19.943 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.781 -20.472 4.104 1.00 0.00 H new ATOM 865 N GLN A 54 -3.882 -24.223 2.095 1.00 0.00 N ATOM 866 CA GLN A 54 -4.391 -25.584 2.233 1.00 0.00 C ATOM 867 C GLN A 54 -3.278 -26.606 1.999 1.00 0.00 C ATOM 868 O GLN A 54 -3.065 -27.482 2.837 1.00 0.00 O ATOM 869 CB GLN A 54 -5.535 -25.816 1.234 1.00 0.00 C ATOM 870 CG GLN A 54 -6.877 -25.269 1.733 1.00 0.00 C ATOM 871 CD GLN A 54 -7.934 -25.379 0.635 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.797 -26.253 0.651 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.862 -24.506 -0.355 1.00 0.00 N ATOM 0 H GLN A 54 -4.341 -23.683 1.361 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.766 -25.712 3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.285 -25.342 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.632 -26.884 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.199 -25.824 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.764 -24.228 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.138 -23.788 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.531 -24.551 -1.124 1.00 0.00 H new ATOM 882 N SER A 55 -2.547 -26.501 0.889 1.00 0.00 N ATOM 883 CA SER A 55 -1.502 -27.473 0.578 1.00 0.00 C ATOM 884 C SER A 55 -0.347 -27.393 1.587 1.00 0.00 C ATOM 885 O SER A 55 0.247 -28.418 1.927 1.00 0.00 O ATOM 886 CB SER A 55 -1.044 -27.327 -0.878 1.00 0.00 C ATOM 887 OG SER A 55 -0.903 -25.973 -1.285 1.00 0.00 O ATOM 0 H SER A 55 -2.658 -25.760 0.197 1.00 0.00 H new ATOM 0 HA SER A 55 -1.916 -28.476 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.091 -27.840 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.763 -27.823 -1.530 1.00 0.00 H new ATOM 0 HG SER A 55 -1.790 -25.571 -1.397 1.00 0.00 H new ATOM 893 N PHE A 56 -0.066 -26.206 2.130 1.00 0.00 N ATOM 894 CA PHE A 56 0.874 -26.034 3.225 1.00 0.00 C ATOM 895 C PHE A 56 0.398 -26.785 4.470 1.00 0.00 C ATOM 896 O PHE A 56 1.208 -27.482 5.079 1.00 0.00 O ATOM 897 CB PHE A 56 1.069 -24.541 3.496 1.00 0.00 C ATOM 898 CG PHE A 56 2.056 -24.172 4.586 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.411 -24.537 4.473 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.637 -23.366 5.663 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.343 -24.076 5.420 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.574 -22.888 6.594 1.00 0.00 C ATOM 903 CZ PHE A 56 3.929 -23.230 6.462 1.00 0.00 C ATOM 0 H PHE A 56 -0.491 -25.334 1.815 1.00 0.00 H new ATOM 0 HA PHE A 56 1.839 -26.460 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.391 -24.066 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.101 -24.112 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.734 -25.170 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.592 -23.115 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.379 -24.373 5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.252 -22.258 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.654 -22.842 7.162 1.00 0.00 H new ATOM 913 N VAL A 57 -0.893 -26.723 4.826 1.00 0.00 N ATOM 914 CA VAL A 57 -1.427 -27.537 5.917 1.00 0.00 C ATOM 915 C VAL A 57 -1.164 -29.010 5.605 1.00 0.00 C ATOM 916 O VAL A 57 -0.602 -29.691 6.458 1.00 0.00 O ATOM 917 CB VAL A 57 -2.919 -27.240 6.199 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.550 -28.243 7.182 1.00 0.00 C ATOM 919 CG2 VAL A 57 -3.106 -25.847 6.809 1.00 0.00 C ATOM 0 H VAL A 57 -1.580 -26.120 4.374 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.912 -27.278 6.842 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.410 -27.315 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.597 -27.986 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.483 -29.249 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.017 -28.205 8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.165 -25.670 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.558 -25.785 7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.728 -25.093 6.118 1.00 0.00 H new ATOM 929 N GLU A 58 -1.496 -29.497 4.401 1.00 0.00 N ATOM 930 CA GLU A 58 -1.318 -30.908 4.037 1.00 0.00 C ATOM 931 C GLU A 58 0.141 -31.352 4.207 1.00 0.00 C ATOM 932 O GLU A 58 0.414 -32.449 4.697 1.00 0.00 O ATOM 933 CB GLU A 58 -1.793 -31.190 2.601 1.00 0.00 C ATOM 934 CG GLU A 58 -3.303 -30.998 2.415 1.00 0.00 C ATOM 935 CD GLU A 58 -3.766 -31.481 1.029 1.00 0.00 C ATOM 936 OE1 GLU A 58 -3.667 -30.717 0.043 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.249 -32.631 0.914 1.00 0.00 O ATOM 0 H GLU A 58 -1.894 -28.926 3.655 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.937 -31.489 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.262 -30.531 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.527 -32.212 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.839 -31.546 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.555 -29.945 2.537 1.00 0.00 H new ATOM 944 N ALA A 59 1.079 -30.479 3.849 1.00 0.00 N ATOM 945 CA ALA A 59 2.505 -30.728 3.989 1.00 0.00 C ATOM 946 C ALA A 59 2.893 -30.821 5.466 1.00 0.00 C ATOM 947 O ALA A 59 3.623 -31.730 5.861 1.00 0.00 O ATOM 948 CB ALA A 59 3.306 -29.628 3.288 1.00 0.00 C ATOM 0 H ALA A 59 0.863 -29.566 3.448 1.00 0.00 H new ATOM 0 HA ALA A 59 2.739 -31.682 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.372 -29.826 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.050 -29.610 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.067 -28.663 3.735 1.00 0.00 H new ATOM 954 N VAL A 60 2.381 -29.911 6.297 1.00 0.00 N ATOM 955 CA VAL A 60 2.611 -29.934 7.733 1.00 0.00 C ATOM 956 C VAL A 60 1.966 -31.182 8.361 1.00 0.00 C ATOM 957 O VAL A 60 2.543 -31.712 9.309 1.00 0.00 O ATOM 958 CB VAL A 60 2.160 -28.594 8.357 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.308 -28.579 9.884 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.019 -27.425 7.832 1.00 0.00 C ATOM 0 H VAL A 60 1.794 -29.137 5.987 1.00 0.00 H new ATOM 0 HA VAL A 60 3.676 -30.022 7.948 1.00 0.00 H new ATOM 0 HB VAL A 60 1.112 -28.484 8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.978 -27.616 10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.699 -29.373 10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.353 -28.738 10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.682 -26.493 8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.064 -27.597 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.919 -27.358 6.749 1.00 0.00 H new ATOM 970 N LYS A 61 0.851 -31.723 7.834 1.00 0.00 N ATOM 971 CA LYS A 61 0.319 -33.004 8.316 1.00 0.00 C ATOM 972 C LYS A 61 1.362 -34.105 8.132 1.00 0.00 C ATOM 973 O LYS A 61 1.567 -34.910 9.040 1.00 0.00 O ATOM 974 CB LYS A 61 -0.976 -33.458 7.613 1.00 0.00 C ATOM 975 CG LYS A 61 -2.125 -32.449 7.544 1.00 0.00 C ATOM 976 CD LYS A 61 -3.411 -33.120 7.037 1.00 0.00 C ATOM 977 CE LYS A 61 -4.558 -32.102 6.961 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.838 -32.730 6.544 1.00 0.00 N ATOM 0 H LYS A 61 0.309 -31.296 7.083 1.00 0.00 H new ATOM 0 HA LYS A 61 0.081 -32.838 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.722 -33.751 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.341 -34.351 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.298 -32.020 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.853 -31.627 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.237 -33.554 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.687 -33.938 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.687 -31.629 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.295 -31.313 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.584 -32.006 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.724 -33.159 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.104 -33.465 7.230 1.00 0.00 H new ATOM 992 N ASN A 62 1.996 -34.159 6.954 1.00 0.00 N ATOM 993 CA ASN A 62 2.983 -35.185 6.640 1.00 0.00 C ATOM 994 C ASN A 62 4.241 -35.026 7.497 1.00 0.00 C ATOM 995 O ASN A 62 4.792 -36.021 7.971 1.00 0.00 O ATOM 996 CB ASN A 62 3.337 -35.160 5.146 1.00 0.00 C ATOM 997 CG ASN A 62 4.282 -36.302 4.786 1.00 0.00 C ATOM 998 OD1 ASN A 62 5.452 -36.092 4.485 1.00 0.00 O ATOM 999 ND2 ASN A 62 3.801 -37.536 4.795 1.00 0.00 N ATOM 0 H ASN A 62 1.836 -33.493 6.198 1.00 0.00 H new ATOM 0 HA ASN A 62 2.541 -36.154 6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.426 -35.237 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.802 -34.207 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.405 -38.321 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.827 -37.702 5.047 1.00 0.00 H new ATOM 1006 N GLY A 63 4.654 -33.780 7.738 1.00 0.00 N ATOM 1007 CA GLY A 63 5.835 -33.448 8.526 1.00 0.00 C ATOM 1008 C GLY A 63 7.133 -33.780 7.784 1.00 0.00 C ATOM 1009 O GLY A 63 7.118 -34.301 6.663 1.00 0.00 O ATOM 0 H GLY A 63 4.164 -32.959 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.820 -32.386 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.807 -33.994 9.469 1.00 0.00 H new ATOM 1013 N SER A 64 8.269 -33.454 8.403 1.00 0.00 N ATOM 1014 CA SER A 64 9.587 -33.707 7.829 1.00 0.00 C ATOM 1015 C SER A 64 9.844 -35.223 7.708 1.00 0.00 C ATOM 1016 O SER A 64 9.322 -35.992 8.522 1.00 0.00 O ATOM 1017 CB SER A 64 10.686 -33.026 8.667 1.00 0.00 C ATOM 1018 OG SER A 64 10.165 -32.234 9.731 1.00 0.00 O ATOM 0 H SER A 64 8.298 -33.006 9.319 1.00 0.00 H new ATOM 0 HA SER A 64 9.614 -33.278 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.346 -33.789 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.293 -32.397 8.017 1.00 0.00 H new ATOM 0 HG SER A 64 10.905 -31.828 10.229 1.00 0.00 H new ATOM 1024 N PRO A 65 10.688 -35.679 6.761 1.00 0.00 N ATOM 1025 CA PRO A 65 11.062 -37.089 6.632 1.00 0.00 C ATOM 1026 C PRO A 65 11.635 -37.708 7.917 1.00 0.00 C ATOM 1027 O PRO A 65 11.453 -38.901 8.165 1.00 0.00 O ATOM 1028 CB PRO A 65 12.095 -37.140 5.501 1.00 0.00 C ATOM 1029 CG PRO A 65 11.766 -35.912 4.655 1.00 0.00 C ATOM 1030 CD PRO A 65 11.286 -34.897 5.688 1.00 0.00 C ATOM 0 HA PRO A 65 10.172 -37.682 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.114 -37.099 5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.010 -38.060 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.639 -35.551 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.996 -36.128 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.115 -34.294 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.560 -34.209 5.253 1.00 0.00 H new ATOM 1038 N PHE A 66 12.321 -36.900 8.733 1.00 0.00 N ATOM 1039 CA PHE A 66 12.985 -37.321 9.967 1.00 0.00 C ATOM 1040 C PHE A 66 12.070 -37.166 11.196 1.00 0.00 C ATOM 1041 O PHE A 66 12.535 -37.299 12.331 1.00 0.00 O ATOM 1042 CB PHE A 66 14.292 -36.514 10.096 1.00 0.00 C ATOM 1043 CG PHE A 66 15.284 -36.998 11.142 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.763 -38.324 11.121 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.772 -36.103 12.115 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.713 -38.749 12.068 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.722 -36.528 13.060 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.196 -37.851 13.036 1.00 0.00 C ATOM 0 H PHE A 66 12.432 -35.904 8.545 1.00 0.00 H new ATOM 0 HA PHE A 66 13.218 -38.385 9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 66 14.790 -36.513 9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.034 -35.479 10.322 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.400 -39.016 10.376 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.414 -35.084 12.135 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.072 -39.767 12.051 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.088 -35.837 13.805 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.929 -38.177 13.759 1.00 0.00 H new ATOM 1058 N SER A 67 10.778 -36.902 10.993 1.00 0.00 N ATOM 1059 CA SER A 67 9.832 -36.467 12.017 1.00 0.00 C ATOM 1060 C SER A 67 8.583 -37.361 11.988 1.00 0.00 C ATOM 1061 O SER A 67 8.391 -38.148 11.054 1.00 0.00 O ATOM 1062 CB SER A 67 9.471 -34.999 11.740 1.00 0.00 C ATOM 1063 OG SER A 67 10.643 -34.227 11.549 1.00 0.00 O ATOM 0 H SER A 67 10.347 -36.990 10.073 1.00 0.00 H new ATOM 0 HA SER A 67 10.273 -36.550 13.010 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.838 -34.935 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.895 -34.597 12.573 1.00 0.00 H new ATOM 0 HG SER A 67 10.427 -33.428 11.025 1.00 0.00 H new ATOM 1069 N LYS A 68 7.718 -37.245 13.001 1.00 0.00 N ATOM 1070 CA LYS A 68 6.436 -37.948 13.064 1.00 0.00 C ATOM 1071 C LYS A 68 5.457 -37.039 13.792 1.00 0.00 C ATOM 1072 O LYS A 68 5.436 -36.996 15.021 1.00 0.00 O ATOM 1073 CB LYS A 68 6.589 -39.329 13.740 1.00 0.00 C ATOM 1074 CG LYS A 68 5.265 -40.096 13.941 1.00 0.00 C ATOM 1075 CD LYS A 68 4.456 -40.383 12.667 1.00 0.00 C ATOM 1076 CE LYS A 68 5.228 -41.307 11.716 1.00 0.00 C ATOM 1077 NZ LYS A 68 4.444 -41.654 10.503 1.00 0.00 N ATOM 0 H LYS A 68 7.893 -36.651 13.811 1.00 0.00 H new ATOM 0 HA LYS A 68 6.056 -38.159 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.261 -39.941 13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.066 -39.193 14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.488 -41.045 14.428 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.638 -39.526 14.626 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.505 -40.844 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.226 -39.446 12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.158 -40.822 11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.500 -42.221 12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.008 -42.279 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.569 -42.141 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.206 -40.785 9.983 1.00 0.00 H new ATOM 1091 N VAL A 69 4.669 -36.290 13.028 1.00 0.00 N ATOM 1092 CA VAL A 69 3.505 -35.587 13.549 1.00 0.00 C ATOM 1093 C VAL A 69 2.518 -36.649 14.049 1.00 0.00 C ATOM 1094 O VAL A 69 2.332 -37.675 13.390 1.00 0.00 O ATOM 1095 CB VAL A 69 2.904 -34.719 12.422 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.621 -33.994 12.851 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.929 -33.680 11.943 1.00 0.00 C ATOM 0 H VAL A 69 4.821 -36.154 12.029 1.00 0.00 H new ATOM 0 HA VAL A 69 3.758 -34.922 14.375 1.00 0.00 H new ATOM 0 HB VAL A 69 2.648 -35.401 11.611 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.244 -33.399 12.019 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.869 -34.727 13.144 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.838 -33.340 13.696 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.491 -33.076 11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.210 -33.036 12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.815 -34.190 11.564 1.00 0.00 H new ATOM 1107 N THR A 70 1.861 -36.391 15.179 1.00 0.00 N ATOM 1108 CA THR A 70 0.830 -37.256 15.740 1.00 0.00 C ATOM 1109 C THR A 70 -0.463 -36.474 16.018 1.00 0.00 C ATOM 1110 O THR A 70 -1.519 -37.091 16.178 1.00 0.00 O ATOM 1111 CB THR A 70 1.376 -37.963 16.994 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.782 -37.010 17.957 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.592 -38.842 16.664 1.00 0.00 C ATOM 0 H THR A 70 2.036 -35.557 15.740 1.00 0.00 H new ATOM 0 HA THR A 70 0.567 -38.023 15.012 1.00 0.00 H new ATOM 0 HB THR A 70 0.571 -38.587 17.382 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.125 -37.472 18.750 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.950 -39.325 17.574 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.305 -39.603 15.938 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.386 -38.223 16.246 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.427 -35.133 16.011 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.608 -34.275 16.090 1.00 0.00 C ATOM 1123 C ASP A 71 -1.310 -32.946 15.397 1.00 0.00 C ATOM 1124 O ASP A 71 -0.159 -32.504 15.364 1.00 0.00 O ATOM 1125 CB ASP A 71 -1.996 -34.028 17.556 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.237 -33.130 17.672 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.265 -33.433 17.024 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.199 -32.136 18.431 1.00 0.00 O ATOM 0 H ASP A 71 0.445 -34.608 15.949 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.443 -34.769 15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.190 -34.982 18.047 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.161 -33.564 18.080 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.341 -32.309 14.841 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.254 -31.032 14.146 1.00 0.00 C ATOM 1135 C ILE A 72 -3.602 -30.314 14.310 1.00 0.00 C ATOM 1136 O ILE A 72 -4.650 -30.968 14.361 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.841 -31.261 12.666 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.569 -29.918 11.949 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.844 -32.141 11.890 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.114 -30.056 10.492 1.00 0.00 C ATOM 0 H ILE A 72 -3.290 -32.683 14.865 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.481 -30.391 14.570 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.907 -31.823 12.683 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.477 -29.315 11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.806 -29.372 12.504 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.501 -32.265 10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.917 -33.118 12.368 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.824 -31.663 11.890 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.946 -29.066 10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.188 -30.629 10.453 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.884 -30.571 9.918 1.00 0.00 H new ATOM 1152 N SER A 73 -3.581 -28.983 14.369 1.00 0.00 N ATOM 1153 CA SER A 73 -4.755 -28.119 14.457 1.00 0.00 C ATOM 1154 C SER A 73 -4.494 -26.848 13.640 1.00 0.00 C ATOM 1155 O SER A 73 -3.340 -26.530 13.339 1.00 0.00 O ATOM 1156 CB SER A 73 -5.044 -27.766 15.928 1.00 0.00 C ATOM 1157 OG SER A 73 -5.117 -28.916 16.759 1.00 0.00 O ATOM 0 H SER A 73 -2.708 -28.456 14.356 1.00 0.00 H new ATOM 0 HA SER A 73 -5.627 -28.636 14.056 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.263 -27.102 16.299 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.984 -27.217 15.989 1.00 0.00 H new ATOM 0 HG SER A 73 -5.300 -28.642 17.682 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.555 -26.119 13.285 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.502 -24.943 12.418 1.00 0.00 C ATOM 1165 C VAL A 74 -6.437 -23.873 13.005 1.00 0.00 C ATOM 1166 O VAL A 74 -7.453 -24.198 13.626 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.883 -25.336 10.965 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.696 -24.183 9.964 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -5.062 -26.529 10.439 1.00 0.00 C ATOM 0 H VAL A 74 -6.499 -26.338 13.602 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.493 -24.533 12.374 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.938 -25.604 11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.978 -24.518 8.966 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.325 -23.342 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.652 -23.870 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.369 -26.761 9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.002 -26.274 10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.233 -27.397 11.076 1.00 0.00 H new ATOM 1179 N THR A 75 -6.100 -22.601 12.799 1.00 0.00 N ATOM 1180 CA THR A 75 -6.915 -21.426 13.097 1.00 0.00 C ATOM 1181 C THR A 75 -6.842 -20.524 11.848 1.00 0.00 C ATOM 1182 O THR A 75 -5.936 -20.687 11.027 1.00 0.00 O ATOM 1183 CB THR A 75 -6.390 -20.706 14.365 1.00 0.00 C ATOM 1184 OG1 THR A 75 -5.710 -21.573 15.269 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.514 -20.034 15.157 1.00 0.00 C ATOM 0 H THR A 75 -5.198 -22.349 12.396 1.00 0.00 H new ATOM 0 HA THR A 75 -7.949 -21.694 13.311 1.00 0.00 H new ATOM 0 HB THR A 75 -5.693 -19.965 13.975 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.355 -22.180 15.688 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.096 -19.543 16.036 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.009 -19.294 14.529 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.238 -20.786 15.471 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.761 -19.571 11.676 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.838 -18.740 10.474 1.00 0.00 C ATOM 1195 C GLU A 76 -8.185 -17.294 10.828 1.00 0.00 C ATOM 1196 O GLU A 76 -8.838 -17.028 11.842 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.926 -19.276 9.523 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.471 -20.473 8.686 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.556 -20.885 7.673 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -9.922 -20.064 6.799 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.061 -22.029 7.754 1.00 0.00 O ATOM 0 H GLU A 76 -8.476 -19.354 12.370 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.862 -18.774 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.799 -19.563 10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.240 -18.474 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.551 -20.222 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.243 -21.314 9.341 1.00 0.00 H new ATOM 1208 N SER A 77 -7.836 -16.396 9.905 1.00 0.00 N ATOM 1209 CA SER A 77 -8.433 -15.082 9.733 1.00 0.00 C ATOM 1210 C SER A 77 -8.658 -14.936 8.225 1.00 0.00 C ATOM 1211 O SER A 77 -7.807 -15.325 7.419 1.00 0.00 O ATOM 1212 CB SER A 77 -7.516 -13.973 10.279 1.00 0.00 C ATOM 1213 OG SER A 77 -7.024 -14.260 11.578 1.00 0.00 O ATOM 0 H SER A 77 -7.095 -16.579 9.229 1.00 0.00 H new ATOM 0 HA SER A 77 -9.366 -14.986 10.288 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.675 -13.835 9.599 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.065 -13.032 10.303 1.00 0.00 H new ATOM 0 HG SER A 77 -6.050 -14.155 11.589 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.805 -14.389 7.811 1.00 0.00 N ATOM 1220 CA ARG A 78 -10.191 -14.332 6.396 1.00 0.00 C ATOM 1221 C ARG A 78 -9.673 -13.045 5.730 1.00 0.00 C ATOM 1222 O ARG A 78 -10.218 -12.593 4.721 1.00 0.00 O ATOM 1223 CB ARG A 78 -11.712 -14.548 6.242 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.240 -15.875 6.828 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.662 -17.143 6.176 1.00 0.00 C ATOM 1226 NE ARG A 78 -12.054 -17.280 4.762 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.717 -18.295 3.954 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.029 -19.347 4.377 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -12.058 -18.281 2.673 1.00 0.00 N ATOM 0 H ARG A 78 -10.490 -13.975 8.443 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.711 -15.150 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.233 -13.721 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.965 -14.509 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.018 -15.899 7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.325 -15.894 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.575 -17.121 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.000 -18.019 6.730 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.631 -16.539 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.735 -19.406 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.794 -20.097 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.582 -17.493 2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.796 -19.059 2.067 1.00 0.00 H new ATOM 1243 N SER A 79 -8.614 -12.480 6.302 1.00 0.00 N ATOM 1244 CA SER A 79 -7.871 -11.311 5.849 1.00 0.00 C ATOM 1245 C SER A 79 -6.386 -11.583 6.139 1.00 0.00 C ATOM 1246 O SER A 79 -6.051 -12.637 6.684 1.00 0.00 O ATOM 1247 CB SER A 79 -8.374 -10.063 6.596 1.00 0.00 C ATOM 1248 OG SER A 79 -9.780 -9.903 6.467 1.00 0.00 O ATOM 0 H SER A 79 -8.223 -12.860 7.164 1.00 0.00 H new ATOM 0 HA SER A 79 -8.011 -11.129 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.112 -10.141 7.651 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.870 -9.178 6.207 1.00 0.00 H new ATOM 0 HG SER A 79 -10.064 -9.102 6.955 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.490 -10.655 5.797 1.00 0.00 N ATOM 1255 CA LEU A 80 -4.049 -10.775 6.013 1.00 0.00 C ATOM 1256 C LEU A 80 -3.469 -9.400 6.346 1.00 0.00 C ATOM 1257 O LEU A 80 -4.079 -8.385 6.000 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.361 -11.411 4.791 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.200 -10.548 3.523 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.286 -11.302 2.552 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.535 -10.244 2.831 1.00 0.00 C ATOM 0 H LEU A 80 -5.755 -9.777 5.351 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.863 -11.438 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.369 -11.740 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.923 -12.304 4.518 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.775 -9.589 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.155 -10.713 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.316 -11.468 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.736 -12.262 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.355 -9.634 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.013 -11.178 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.186 -9.704 3.518 1.00 0.00 H new ATOM 1273 N GLU A 81 -2.322 -9.356 7.030 1.00 0.00 N ATOM 1274 CA GLU A 81 -1.851 -8.134 7.687 1.00 0.00 C ATOM 1275 C GLU A 81 -0.321 -7.982 7.762 1.00 0.00 C ATOM 1276 O GLU A 81 0.144 -6.932 8.215 1.00 0.00 O ATOM 1277 CB GLU A 81 -2.482 -8.049 9.093 1.00 0.00 C ATOM 1278 CG GLU A 81 -1.893 -9.052 10.100 1.00 0.00 C ATOM 1279 CD GLU A 81 -2.712 -9.114 11.400 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -2.641 -8.170 12.221 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -3.414 -10.126 11.623 1.00 0.00 O ATOM 0 H GLU A 81 -1.700 -10.157 7.143 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.174 -7.302 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.349 -7.039 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.555 -8.220 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.858 -10.042 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.866 -8.771 10.332 1.00 0.00 H new ATOM 1288 N GLY A 82 0.472 -8.974 7.341 1.00 0.00 N ATOM 1289 CA GLY A 82 1.919 -8.988 7.572 1.00 0.00 C ATOM 1290 C GLY A 82 2.753 -9.590 6.437 1.00 0.00 C ATOM 1291 O GLY A 82 3.981 -9.582 6.532 1.00 0.00 O ATOM 0 H GLY A 82 0.128 -9.788 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.254 -7.965 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.120 -9.547 8.486 1.00 0.00 H new ATOM 1295 N HIS A 83 2.115 -10.101 5.381 1.00 0.00 N ATOM 1296 CA HIS A 83 2.744 -10.760 4.242 1.00 0.00 C ATOM 1297 C HIS A 83 3.915 -9.942 3.674 1.00 0.00 C ATOM 1298 O HIS A 83 3.704 -8.862 3.116 1.00 0.00 O ATOM 1299 CB HIS A 83 1.663 -11.049 3.185 1.00 0.00 C ATOM 1300 CG HIS A 83 2.150 -11.759 1.943 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.927 -11.222 0.939 1.00 0.00 N ATOM 1302 CD2 HIS A 83 1.858 -13.047 1.576 1.00 0.00 C ATOM 1303 CE1 HIS A 83 3.112 -12.168 0.004 1.00 0.00 C ATOM 1304 NE2 HIS A 83 2.479 -13.305 0.347 1.00 0.00 N ATOM 0 H HIS A 83 1.099 -10.063 5.296 1.00 0.00 H new ATOM 0 HA HIS A 83 3.184 -11.702 4.568 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.880 -11.652 3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.206 -10.105 2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.253 -13.743 2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.689 -12.035 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.456 -14.178 -0.181 1.00 0.00 H new ATOM 1312 N HIS A 84 5.140 -10.468 3.795 1.00 0.00 N ATOM 1313 CA HIS A 84 6.348 -9.895 3.199 1.00 0.00 C ATOM 1314 C HIS A 84 7.381 -10.987 2.884 1.00 0.00 C ATOM 1315 O HIS A 84 7.885 -11.047 1.761 1.00 0.00 O ATOM 1316 CB HIS A 84 6.936 -8.837 4.152 1.00 0.00 C ATOM 1317 CG HIS A 84 8.185 -8.169 3.625 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.406 -8.099 4.260 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.314 -7.507 2.431 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.251 -7.420 3.466 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.631 -7.035 2.333 1.00 0.00 N ATOM 0 H HIS A 84 5.320 -11.322 4.322 1.00 0.00 H new ATOM 0 HA HIS A 84 6.085 -9.417 2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.181 -8.075 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.163 -9.309 5.108 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.536 -7.372 1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.284 -7.212 3.703 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.037 -6.507 1.561 1.00 0.00 H new ATOM 1329 N ARG A 85 7.675 -11.872 3.846 1.00 0.00 N ATOM 1330 CA ARG A 85 8.596 -13.005 3.708 1.00 0.00 C ATOM 1331 C ARG A 85 8.180 -14.106 4.685 1.00 0.00 C ATOM 1332 O ARG A 85 7.217 -13.910 5.428 1.00 0.00 O ATOM 1333 CB ARG A 85 10.051 -12.551 3.956 1.00 0.00 C ATOM 1334 CG ARG A 85 10.305 -11.965 5.361 1.00 0.00 C ATOM 1335 CD ARG A 85 11.799 -11.954 5.710 1.00 0.00 C ATOM 1336 NE ARG A 85 12.291 -13.329 5.917 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.371 -13.896 5.368 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.269 -13.169 4.707 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.531 -15.208 5.485 1.00 0.00 N ATOM 0 H ARG A 85 7.261 -11.815 4.777 1.00 0.00 H new ATOM 0 HA ARG A 85 8.548 -13.399 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.715 -13.402 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.317 -11.803 3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.913 -10.949 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.762 -12.551 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.362 -11.477 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.964 -11.363 6.611 1.00 0.00 H new ATOM 0 HE ARG A 85 11.746 -13.914 6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.140 -12.162 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.086 -13.619 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.838 -15.764 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.347 -15.661 5.074 1.00 0.00 H new ATOM 1353 N PHE A 86 8.900 -15.232 4.726 1.00 0.00 N ATOM 1354 CA PHE A 86 8.680 -16.279 5.719 1.00 0.00 C ATOM 1355 C PHE A 86 9.922 -16.400 6.604 1.00 0.00 C ATOM 1356 O PHE A 86 11.039 -16.365 6.076 1.00 0.00 O ATOM 1357 CB PHE A 86 8.311 -17.610 5.051 1.00 0.00 C ATOM 1358 CG PHE A 86 7.724 -18.600 6.039 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.569 -19.407 6.825 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.329 -18.682 6.213 1.00 0.00 C ATOM 1361 CE1 PHE A 86 8.022 -20.277 7.783 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.783 -19.540 7.182 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.630 -20.336 7.969 1.00 0.00 C ATOM 0 H PHE A 86 9.652 -15.440 4.069 1.00 0.00 H new ATOM 0 HA PHE A 86 7.833 -16.010 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.593 -17.427 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.199 -18.042 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.640 -19.357 6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.675 -18.082 5.598 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.672 -20.902 8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.713 -19.587 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.212 -20.993 8.717 1.00 0.00 H new ATOM 1373 N SER A 87 9.754 -16.547 7.922 1.00 0.00 N ATOM 1374 CA SER A 87 10.879 -16.493 8.863 1.00 0.00 C ATOM 1375 C SER A 87 10.778 -17.537 9.985 1.00 0.00 C ATOM 1376 O SER A 87 9.714 -17.767 10.558 1.00 0.00 O ATOM 1377 CB SER A 87 10.942 -15.080 9.458 1.00 0.00 C ATOM 1378 OG SER A 87 11.011 -14.098 8.431 1.00 0.00 O ATOM 0 H SER A 87 8.848 -16.705 8.363 1.00 0.00 H new ATOM 0 HA SER A 87 11.790 -16.728 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.063 -14.903 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.813 -14.994 10.108 1.00 0.00 H new ATOM 0 HG SER A 87 11.049 -13.205 8.834 1.00 0.00 H new ATOM 1384 N ILE A 88 11.901 -18.155 10.351 1.00 0.00 N ATOM 1385 CA ILE A 88 11.999 -18.892 11.608 1.00 0.00 C ATOM 1386 C ILE A 88 12.169 -17.834 12.709 1.00 0.00 C ATOM 1387 O ILE A 88 12.915 -16.866 12.532 1.00 0.00 O ATOM 1388 CB ILE A 88 13.164 -19.907 11.535 1.00 0.00 C ATOM 1389 CG1 ILE A 88 12.898 -20.945 10.415 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.352 -20.625 12.885 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.137 -21.747 10.011 1.00 0.00 C ATOM 0 H ILE A 88 12.755 -18.159 9.794 1.00 0.00 H new ATOM 0 HA ILE A 88 11.113 -19.490 11.821 1.00 0.00 H new ATOM 0 HB ILE A 88 14.079 -19.360 11.306 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.123 -21.635 10.748 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.509 -20.428 9.538 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.177 -21.334 12.809 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.575 -19.891 13.660 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.438 -21.159 13.143 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.873 -22.452 9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.907 -21.067 9.646 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.515 -22.293 10.875 1.00 0.00 H new ATOM 1403 N VAL A 89 11.478 -18.005 13.834 1.00 0.00 N ATOM 1404 CA VAL A 89 11.516 -17.110 14.984 1.00 0.00 C ATOM 1405 C VAL A 89 11.479 -17.965 16.264 1.00 0.00 C ATOM 1406 O VAL A 89 11.345 -19.191 16.198 1.00 0.00 O ATOM 1407 CB VAL A 89 10.388 -16.057 14.826 1.00 0.00 C ATOM 1408 CG1 VAL A 89 8.979 -16.605 15.098 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.623 -14.796 15.671 1.00 0.00 C ATOM 0 H VAL A 89 10.854 -18.800 13.973 1.00 0.00 H new ATOM 0 HA VAL A 89 12.436 -16.530 15.054 1.00 0.00 H new ATOM 0 HB VAL A 89 10.435 -15.784 13.772 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.247 -15.808 14.967 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.763 -17.415 14.401 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.926 -16.982 16.119 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.801 -14.097 15.518 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.676 -15.069 16.725 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.559 -14.326 15.370 1.00 0.00 H new