USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 832 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 63 HIS : no HD1:sc= -2.53 K(o=-6.3,f=-5.5) USER MOD Set 1.2: A 79 TYR OH : rot -50:sc= -3.76! USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 HIS : no HD1:sc= -11.5! C(o=-11!,f=-15!) USER MOD Single : A 1 VAL N :NH3+ 140:sc= -1.72! (180deg=-2.54!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.38) USER MOD Single : A 8 SER OG : rot 45:sc= 0.511 USER MOD Single : A 10 SER OG : rot 180:sc= 0.137 USER MOD Single : A 11 ASN : amide:sc= -0.894 K(o=-0.89,f=-0.0059) USER MOD Single : A 15 ASN : amide:sc= -0.331 K(o=-0.33,f=-3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 169:sc= -0.918 USER MOD Single : A 22 THR OG1 : rot 52:sc= -0.753! USER MOD Single : A 25 SER OG : rot 130:sc= 0.2 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 29 TYR OH : rot -92:sc= -1.79! USER MOD Single : A 30 SER OG : rot 180:sc= 0.149 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -100:sc= -0.723 USER MOD Single : A 40 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.0062) USER MOD Single : A 41 SER OG : rot 180:sc= -0.202 USER MOD Single : A 46 SER OG : rot -59:sc= 0.609! USER MOD Single : A 51 SER OG : rot -10:sc= 0.371 USER MOD Single : A 55 THR OG1 : rot 175:sc= -6.74! USER MOD Single : A 57 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.84) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.14) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.106 USER MOD Single : A 80 SER OG : rot 11:sc= 0.872 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.57! C(o=-1.6!,f=-9!) USER MOD Single : A 84 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.22) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -66:sc= 1.14 USER MOD Single : A 98 SER OG : rot 76:sc= -2.9! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -43:sc= 1.02 USER MOD Single : A 101 SER OG : rot -124:sc= 0.37 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -130:sc=-0.00345 USER MOD Single : A 107 ASN : amide:sc= -4.72! C(o=-4.7!,f=-3.1!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -31.017 -44.928 14.193 1.00 0.00 N ATOM 2 CA VAL A 1 -30.030 -43.870 14.568 1.00 0.00 C ATOM 3 C VAL A 1 -29.664 -43.032 13.341 1.00 0.00 C ATOM 4 O VAL A 1 -29.972 -43.387 12.220 1.00 0.00 O ATOM 5 CB VAL A 1 -28.802 -44.622 15.085 1.00 0.00 C ATOM 6 CG1 VAL A 1 -29.164 -45.383 16.363 1.00 0.00 C ATOM 7 CG2 VAL A 1 -28.327 -45.612 14.019 1.00 0.00 C ATOM 0 H1 VAL A 1 -30.782 -45.812 14.687 1.00 0.00 H new ATOM 0 H2 VAL A 1 -31.973 -44.623 14.465 1.00 0.00 H new ATOM 0 H3 VAL A 1 -30.983 -45.086 13.166 1.00 0.00 H new ATOM 0 HA VAL A 1 -30.430 -43.187 15.317 1.00 0.00 H new ATOM 0 HB VAL A 1 -28.006 -43.910 15.303 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -28.287 -45.918 16.729 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -29.502 -44.678 17.123 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -29.960 -46.096 16.149 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -27.452 -46.149 14.385 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -29.124 -46.323 13.802 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -28.066 -45.070 13.110 1.00 0.00 H new ATOM 19 N LYS A 2 -29.007 -41.922 13.544 1.00 0.00 N ATOM 20 CA LYS A 2 -28.621 -41.060 12.389 1.00 0.00 C ATOM 21 C LYS A 2 -27.101 -40.861 12.359 1.00 0.00 C ATOM 22 O LYS A 2 -26.417 -41.088 13.337 1.00 0.00 O ATOM 23 CB LYS A 2 -29.333 -39.731 12.640 1.00 0.00 C ATOM 24 CG LYS A 2 -30.580 -39.643 11.757 1.00 0.00 C ATOM 25 CD LYS A 2 -31.718 -38.991 12.545 1.00 0.00 C ATOM 26 CE LYS A 2 -32.915 -38.759 11.620 1.00 0.00 C ATOM 27 NZ LYS A 2 -33.457 -37.431 12.023 1.00 0.00 N ATOM 0 H LYS A 2 -28.721 -41.575 14.459 1.00 0.00 H new ATOM 0 HA LYS A 2 -28.899 -41.499 11.431 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.612 -39.649 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -28.662 -38.900 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -30.364 -39.061 10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -30.876 -40.639 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -32.009 -39.629 13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -31.384 -38.044 12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -32.612 -38.761 10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -33.663 -39.543 11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -34.282 -37.199 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -33.743 -37.462 13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -32.725 -36.704 11.895 1.00 0.00 H new ATOM 41 N CYS A 3 -26.569 -40.436 11.243 1.00 0.00 N ATOM 42 CA CYS A 3 -25.093 -40.221 11.149 1.00 0.00 C ATOM 43 C CYS A 3 -24.793 -38.996 10.280 1.00 0.00 C ATOM 44 O CYS A 3 -24.429 -39.116 9.128 1.00 0.00 O ATOM 45 CB CYS A 3 -24.548 -41.487 10.487 1.00 0.00 C ATOM 46 SG CYS A 3 -23.795 -42.556 11.737 1.00 0.00 S ATOM 0 H CYS A 3 -27.092 -40.228 10.392 1.00 0.00 H new ATOM 0 HA CYS A 3 -24.640 -40.042 12.124 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -25.353 -42.018 9.978 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -23.811 -41.223 9.729 1.00 0.00 H new ATOM 51 N GLN A 4 -24.941 -37.819 10.824 1.00 0.00 N ATOM 52 CA GLN A 4 -24.663 -36.591 10.023 1.00 0.00 C ATOM 53 C GLN A 4 -23.219 -36.593 9.531 1.00 0.00 C ATOM 54 O GLN A 4 -22.453 -37.493 9.811 1.00 0.00 O ATOM 55 CB GLN A 4 -24.889 -35.422 10.980 1.00 0.00 C ATOM 56 CG GLN A 4 -24.211 -35.716 12.319 1.00 0.00 C ATOM 57 CD GLN A 4 -23.369 -34.509 12.738 1.00 0.00 C ATOM 58 OE1 GLN A 4 -23.787 -33.378 12.583 1.00 0.00 O ATOM 59 NE2 GLN A 4 -22.191 -34.703 13.265 1.00 0.00 N ATOM 0 H GLN A 4 -25.241 -37.654 11.785 1.00 0.00 H new ATOM 0 HA GLN A 4 -25.304 -36.529 9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -24.486 -34.505 10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -25.957 -35.262 11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -24.961 -35.931 13.080 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -23.581 -36.601 12.233 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.840 -35.652 13.395 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.621 -33.906 13.547 1.00 0.00 H new ATOM 68 N SER A 5 -22.846 -35.581 8.805 1.00 0.00 N ATOM 69 CA SER A 5 -21.449 -35.507 8.293 1.00 0.00 C ATOM 70 C SER A 5 -20.464 -35.698 9.448 1.00 0.00 C ATOM 71 O SER A 5 -20.721 -35.280 10.559 1.00 0.00 O ATOM 72 CB SER A 5 -21.318 -34.106 7.698 1.00 0.00 C ATOM 73 OG SER A 5 -20.825 -33.217 8.691 1.00 0.00 O ATOM 0 H SER A 5 -23.447 -34.800 8.542 1.00 0.00 H new ATOM 0 HA SER A 5 -21.232 -36.280 7.555 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.643 -34.124 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.286 -33.761 7.334 1.00 0.00 H new ATOM 0 HG SER A 5 -20.739 -32.318 8.311 1.00 0.00 H new ATOM 79 N PRO A 6 -19.366 -36.333 9.146 1.00 0.00 N ATOM 80 CA PRO A 6 -18.332 -36.588 10.176 1.00 0.00 C ATOM 81 C PRO A 6 -17.581 -35.295 10.499 1.00 0.00 C ATOM 82 O PRO A 6 -17.584 -34.369 9.718 1.00 0.00 O ATOM 83 CB PRO A 6 -17.404 -37.594 9.503 1.00 0.00 C ATOM 84 CG PRO A 6 -17.573 -37.358 8.038 1.00 0.00 C ATOM 85 CD PRO A 6 -18.985 -36.866 7.833 1.00 0.00 C ATOM 0 HA PRO A 6 -18.741 -36.952 11.118 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.369 -37.443 9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -17.670 -38.617 9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -16.852 -36.623 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -17.399 -38.276 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.033 -36.098 7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.648 -37.673 7.521 1.00 0.00 H new ATOM 93 N PRO A 7 -16.951 -35.276 11.639 1.00 0.00 N ATOM 94 CA PRO A 7 -16.177 -34.083 12.050 1.00 0.00 C ATOM 95 C PRO A 7 -14.904 -33.970 11.209 1.00 0.00 C ATOM 96 O PRO A 7 -14.553 -34.873 10.475 1.00 0.00 O ATOM 97 CB PRO A 7 -15.846 -34.355 13.513 1.00 0.00 C ATOM 98 CG PRO A 7 -15.898 -35.843 13.651 1.00 0.00 C ATOM 99 CD PRO A 7 -16.899 -36.345 12.642 1.00 0.00 C ATOM 0 HA PRO A 7 -16.718 -33.147 11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.861 -33.969 13.773 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.563 -33.872 14.176 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.916 -36.281 13.471 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.194 -36.126 14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.584 -37.291 12.202 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.875 -36.515 13.097 1.00 0.00 H new ATOM 107 N SER A 8 -14.211 -32.872 11.304 1.00 0.00 N ATOM 108 CA SER A 8 -12.964 -32.711 10.502 1.00 0.00 C ATOM 109 C SER A 8 -11.761 -33.254 11.274 1.00 0.00 C ATOM 110 O SER A 8 -11.284 -32.643 12.210 1.00 0.00 O ATOM 111 CB SER A 8 -12.823 -31.209 10.280 1.00 0.00 C ATOM 112 OG SER A 8 -12.986 -30.531 11.519 1.00 0.00 O ATOM 0 H SER A 8 -14.451 -32.080 11.900 1.00 0.00 H new ATOM 0 HA SER A 8 -13.009 -33.259 9.561 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.845 -30.983 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.569 -30.865 9.564 1.00 0.00 H new ATOM 0 HG SER A 8 -12.473 -30.993 12.215 1.00 0.00 H new ATOM 118 N ILE A 9 -11.270 -34.402 10.893 1.00 0.00 N ATOM 119 CA ILE A 9 -10.099 -34.982 11.616 1.00 0.00 C ATOM 120 C ILE A 9 -8.931 -34.023 11.627 1.00 0.00 C ATOM 121 O ILE A 9 -9.045 -32.864 11.278 1.00 0.00 O ATOM 122 CB ILE A 9 -9.702 -36.258 10.882 1.00 0.00 C ATOM 123 CG1 ILE A 9 -9.941 -36.127 9.375 1.00 0.00 C ATOM 124 CG2 ILE A 9 -10.517 -37.400 11.444 1.00 0.00 C ATOM 125 CD1 ILE A 9 -8.764 -36.760 8.626 1.00 0.00 C ATOM 0 H ILE A 9 -11.625 -34.961 10.118 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.369 -35.183 12.653 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.638 -36.444 11.028 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.873 -36.620 9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.042 -35.077 9.100 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.249 -38.324 10.933 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.313 -37.503 12.510 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.578 -37.198 11.295 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.926 -36.671 7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.842 -36.247 8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.686 -37.813 8.895 1.00 0.00 H new ATOM 137 N SER A 10 -7.807 -34.505 12.053 1.00 0.00 N ATOM 138 CA SER A 10 -6.617 -33.633 12.123 1.00 0.00 C ATOM 139 C SER A 10 -5.857 -33.615 10.792 1.00 0.00 C ATOM 140 O SER A 10 -5.669 -34.632 10.154 1.00 0.00 O ATOM 141 CB SER A 10 -5.749 -34.225 13.232 1.00 0.00 C ATOM 142 OG SER A 10 -6.024 -35.614 13.354 1.00 0.00 O ATOM 0 H SER A 10 -7.661 -35.468 12.356 1.00 0.00 H new ATOM 0 HA SER A 10 -6.894 -32.598 12.326 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.694 -34.070 13.005 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.950 -33.719 14.176 1.00 0.00 H new ATOM 0 HG SER A 10 -5.467 -35.997 14.064 1.00 0.00 H new ATOM 148 N ASN A 11 -5.409 -32.458 10.380 1.00 0.00 N ATOM 149 CA ASN A 11 -4.646 -32.348 9.102 1.00 0.00 C ATOM 150 C ASN A 11 -5.379 -33.066 7.963 1.00 0.00 C ATOM 151 O ASN A 11 -4.792 -33.409 6.956 1.00 0.00 O ATOM 152 CB ASN A 11 -3.302 -33.019 9.389 1.00 0.00 C ATOM 153 CG ASN A 11 -2.625 -32.328 10.577 1.00 0.00 C ATOM 154 OD1 ASN A 11 -1.841 -32.935 11.280 1.00 0.00 O ATOM 155 ND2 ASN A 11 -2.896 -31.077 10.835 1.00 0.00 N ATOM 0 H ASN A 11 -5.540 -31.578 10.878 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.529 -31.312 8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.451 -34.076 9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.661 -32.963 8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.450 -30.611 11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.554 -30.566 10.246 1.00 0.00 H new ATOM 162 N GLY A 12 -6.655 -33.286 8.107 1.00 0.00 N ATOM 163 CA GLY A 12 -7.419 -33.970 7.023 1.00 0.00 C ATOM 164 C GLY A 12 -8.893 -33.573 7.120 1.00 0.00 C ATOM 165 O GLY A 12 -9.366 -33.154 8.158 1.00 0.00 O ATOM 0 H GLY A 12 -7.203 -33.023 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.018 -33.692 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.314 -35.051 7.114 1.00 0.00 H new ATOM 169 N ARG A 13 -9.622 -33.691 6.045 1.00 0.00 N ATOM 170 CA ARG A 13 -11.064 -33.308 6.075 1.00 0.00 C ATOM 171 C ARG A 13 -11.955 -34.506 5.772 1.00 0.00 C ATOM 172 O ARG A 13 -11.534 -35.645 5.795 1.00 0.00 O ATOM 173 CB ARG A 13 -11.215 -32.248 4.983 1.00 0.00 C ATOM 174 CG ARG A 13 -11.414 -30.874 5.627 1.00 0.00 C ATOM 175 CD ARG A 13 -10.175 -30.009 5.382 1.00 0.00 C ATOM 176 NE ARG A 13 -10.275 -28.903 6.373 1.00 0.00 N ATOM 177 CZ ARG A 13 -9.503 -27.857 6.263 1.00 0.00 C ATOM 178 NH1 ARG A 13 -8.213 -28.010 6.135 1.00 0.00 N ATOM 179 NH2 ARG A 13 -10.020 -26.659 6.283 1.00 0.00 N ATOM 0 H ARG A 13 -9.283 -34.036 5.147 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.361 -32.940 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.330 -32.238 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.065 -32.488 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.297 -30.390 5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.587 -30.984 6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.259 -30.583 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.157 -29.625 4.362 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.947 -28.963 7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.809 -28.947 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.609 -27.193 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.028 -26.540 6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.416 -25.841 6.197 1.00 0.00 H new ATOM 193 N HIS A 14 -13.193 -34.238 5.502 1.00 0.00 N ATOM 194 CA HIS A 14 -14.163 -35.328 5.197 1.00 0.00 C ATOM 195 C HIS A 14 -15.257 -34.797 4.264 1.00 0.00 C ATOM 196 O HIS A 14 -15.825 -33.749 4.500 1.00 0.00 O ATOM 197 CB HIS A 14 -14.744 -35.713 6.555 1.00 0.00 C ATOM 198 CG HIS A 14 -15.743 -34.680 6.992 1.00 0.00 C ATOM 199 ND1 HIS A 14 -17.090 -34.797 6.701 1.00 0.00 N ATOM 200 CD2 HIS A 14 -15.615 -33.525 7.723 1.00 0.00 C ATOM 201 CE1 HIS A 14 -17.719 -33.753 7.257 1.00 0.00 C ATOM 202 NE2 HIS A 14 -16.867 -32.939 7.890 1.00 0.00 N ATOM 0 H HIS A 14 -13.586 -33.297 5.478 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.705 -36.180 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.222 -36.691 6.492 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -13.946 -35.795 7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -14.686 -33.132 8.109 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.785 -33.589 7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.087 -32.076 8.387 1.00 0.00 H new ATOM 210 N ASN A 15 -15.557 -35.499 3.207 1.00 0.00 N ATOM 211 CA ASN A 15 -16.613 -35.005 2.277 1.00 0.00 C ATOM 212 C ASN A 15 -17.237 -36.167 1.498 1.00 0.00 C ATOM 213 O ASN A 15 -17.391 -37.259 2.008 1.00 0.00 O ATOM 214 CB ASN A 15 -15.885 -34.050 1.331 1.00 0.00 C ATOM 215 CG ASN A 15 -16.707 -32.769 1.170 1.00 0.00 C ATOM 216 OD1 ASN A 15 -17.829 -32.691 1.629 1.00 0.00 O ATOM 217 ND2 ASN A 15 -16.191 -31.753 0.535 1.00 0.00 N ATOM 0 H ASN A 15 -15.122 -36.385 2.948 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.430 -34.516 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.896 -33.814 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.737 -34.524 0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.730 -30.894 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.249 -31.818 0.149 1.00 0.00 H new ATOM 224 N GLY A 16 -17.602 -35.935 0.266 1.00 0.00 N ATOM 225 CA GLY A 16 -18.223 -37.019 -0.548 1.00 0.00 C ATOM 226 C GLY A 16 -19.521 -36.508 -1.180 1.00 0.00 C ATOM 227 O GLY A 16 -20.244 -37.247 -1.818 1.00 0.00 O ATOM 0 H GLY A 16 -17.497 -35.040 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.532 -37.345 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.429 -37.886 0.079 1.00 0.00 H new ATOM 231 N TYR A 17 -19.823 -35.246 -1.010 1.00 0.00 N ATOM 232 CA TYR A 17 -21.075 -34.684 -1.602 1.00 0.00 C ATOM 233 C TYR A 17 -22.302 -35.220 -0.857 1.00 0.00 C ATOM 234 O TYR A 17 -23.392 -35.268 -1.392 1.00 0.00 O ATOM 235 CB TYR A 17 -21.080 -35.152 -3.059 1.00 0.00 C ATOM 236 CG TYR A 17 -21.865 -34.174 -3.898 1.00 0.00 C ATOM 237 CD1 TYR A 17 -21.230 -33.052 -4.445 1.00 0.00 C ATOM 238 CD2 TYR A 17 -23.229 -34.386 -4.128 1.00 0.00 C ATOM 239 CE1 TYR A 17 -21.960 -32.144 -5.221 1.00 0.00 C ATOM 240 CE2 TYR A 17 -23.959 -33.479 -4.905 1.00 0.00 C ATOM 241 CZ TYR A 17 -23.324 -32.357 -5.451 1.00 0.00 C ATOM 242 OH TYR A 17 -24.043 -31.461 -6.215 1.00 0.00 O ATOM 0 H TYR A 17 -19.256 -34.579 -0.486 1.00 0.00 H new ATOM 0 HA TYR A 17 -21.110 -33.597 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.058 -35.229 -3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -21.521 -36.146 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.177 -32.887 -4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -23.719 -35.251 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.470 -31.279 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -25.011 -33.645 -5.083 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.975 -31.758 -6.277 1.00 0.00 H new ATOM 252 N GLU A 18 -22.132 -35.622 0.373 1.00 0.00 N ATOM 253 CA GLU A 18 -23.286 -36.155 1.154 1.00 0.00 C ATOM 254 C GLU A 18 -23.419 -35.398 2.477 1.00 0.00 C ATOM 255 O GLU A 18 -22.547 -34.645 2.863 1.00 0.00 O ATOM 256 CB GLU A 18 -22.971 -37.635 1.415 1.00 0.00 C ATOM 257 CG GLU A 18 -21.454 -37.865 1.460 1.00 0.00 C ATOM 258 CD GLU A 18 -20.835 -37.015 2.572 1.00 0.00 C ATOM 259 OE1 GLU A 18 -21.167 -37.246 3.723 1.00 0.00 O ATOM 260 OE2 GLU A 18 -20.038 -36.148 2.254 1.00 0.00 O ATOM 0 H GLU A 18 -21.243 -35.605 0.872 1.00 0.00 H new ATOM 0 HA GLU A 18 -24.226 -36.037 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -23.420 -37.947 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -23.414 -38.250 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -21.242 -38.920 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.009 -37.605 0.500 1.00 0.00 H new ATOM 267 N ASP A 19 -24.506 -35.591 3.172 1.00 0.00 N ATOM 268 CA ASP A 19 -24.696 -34.880 4.469 1.00 0.00 C ATOM 269 C ASP A 19 -25.176 -35.854 5.550 1.00 0.00 C ATOM 270 O ASP A 19 -24.876 -35.695 6.716 1.00 0.00 O ATOM 271 CB ASP A 19 -25.767 -33.825 4.188 1.00 0.00 C ATOM 272 CG ASP A 19 -25.096 -32.494 3.842 1.00 0.00 C ATOM 273 OD1 ASP A 19 -24.697 -31.798 4.761 1.00 0.00 O ATOM 274 OD2 ASP A 19 -24.995 -32.194 2.664 1.00 0.00 O ATOM 0 H ASP A 19 -25.270 -36.209 2.899 1.00 0.00 H new ATOM 0 HA ASP A 19 -23.769 -34.438 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -26.403 -34.148 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -26.411 -33.704 5.059 1.00 0.00 H new ATOM 279 N PHE A 20 -25.918 -36.862 5.176 1.00 0.00 N ATOM 280 CA PHE A 20 -26.412 -37.838 6.192 1.00 0.00 C ATOM 281 C PHE A 20 -25.883 -39.238 5.876 1.00 0.00 C ATOM 282 O PHE A 20 -25.832 -39.650 4.734 1.00 0.00 O ATOM 283 CB PHE A 20 -27.937 -37.799 6.079 1.00 0.00 C ATOM 284 CG PHE A 20 -28.507 -37.020 7.241 1.00 0.00 C ATOM 285 CD1 PHE A 20 -28.206 -35.660 7.382 1.00 0.00 C ATOM 286 CD2 PHE A 20 -29.334 -37.654 8.176 1.00 0.00 C ATOM 287 CE1 PHE A 20 -28.730 -34.935 8.458 1.00 0.00 C ATOM 288 CE2 PHE A 20 -29.859 -36.928 9.253 1.00 0.00 C ATOM 289 CZ PHE A 20 -29.557 -35.568 9.393 1.00 0.00 C ATOM 0 H PHE A 20 -26.203 -37.052 4.215 1.00 0.00 H new ATOM 0 HA PHE A 20 -26.076 -37.591 7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -28.231 -37.336 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -28.338 -38.812 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -27.569 -35.170 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -29.567 -38.703 8.067 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -28.496 -33.886 8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -30.496 -37.417 9.975 1.00 0.00 H new ATOM 0 HZ PHE A 20 -29.962 -35.007 10.222 1.00 0.00 H new ATOM 299 N TYR A 21 -25.481 -39.971 6.878 1.00 0.00 N ATOM 300 CA TYR A 21 -24.948 -41.340 6.630 1.00 0.00 C ATOM 301 C TYR A 21 -25.738 -42.385 7.415 1.00 0.00 C ATOM 302 O TYR A 21 -25.543 -43.574 7.260 1.00 0.00 O ATOM 303 CB TYR A 21 -23.511 -41.290 7.115 1.00 0.00 C ATOM 304 CG TYR A 21 -22.622 -41.106 5.917 1.00 0.00 C ATOM 305 CD1 TYR A 21 -22.829 -40.024 5.058 1.00 0.00 C ATOM 306 CD2 TYR A 21 -21.609 -42.026 5.653 1.00 0.00 C ATOM 307 CE1 TYR A 21 -22.016 -39.861 3.936 1.00 0.00 C ATOM 308 CE2 TYR A 21 -20.797 -41.866 4.530 1.00 0.00 C ATOM 309 CZ TYR A 21 -20.998 -40.782 3.668 1.00 0.00 C ATOM 310 OH TYR A 21 -20.194 -40.622 2.559 1.00 0.00 O ATOM 0 H TYR A 21 -25.499 -39.682 7.856 1.00 0.00 H new ATOM 0 HA TYR A 21 -25.024 -41.621 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -23.375 -40.470 7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -23.255 -42.209 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -23.617 -39.315 5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -21.453 -42.863 6.318 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -22.173 -39.023 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -20.012 -42.579 4.326 1.00 0.00 H new ATOM 0 HH TYR A 21 -19.434 -41.238 2.614 1.00 0.00 H new ATOM 320 N THR A 22 -26.622 -41.949 8.260 1.00 0.00 N ATOM 321 CA THR A 22 -27.430 -42.905 9.067 1.00 0.00 C ATOM 322 C THR A 22 -26.563 -44.043 9.620 1.00 0.00 C ATOM 323 O THR A 22 -25.941 -43.910 10.655 1.00 0.00 O ATOM 324 CB THR A 22 -28.490 -43.446 8.105 1.00 0.00 C ATOM 325 OG1 THR A 22 -27.916 -43.614 6.817 1.00 0.00 O ATOM 326 CG2 THR A 22 -29.656 -42.460 8.022 1.00 0.00 C ATOM 0 H THR A 22 -26.824 -40.964 8.430 1.00 0.00 H new ATOM 0 HA THR A 22 -27.875 -42.419 9.935 1.00 0.00 H new ATOM 0 HB THR A 22 -28.855 -44.407 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 22 -27.095 -44.143 6.891 1.00 0.00 H new ATOM 0 HG21 THR A 22 -30.411 -42.846 7.337 1.00 0.00 H new ATOM 0 HG22 THR A 22 -30.096 -42.332 9.011 1.00 0.00 H new ATOM 0 HG23 THR A 22 -29.294 -41.498 7.659 1.00 0.00 H new ATOM 334 N ASP A 23 -26.533 -45.167 8.959 1.00 0.00 N ATOM 335 CA ASP A 23 -25.722 -46.306 9.475 1.00 0.00 C ATOM 336 C ASP A 23 -25.292 -47.218 8.324 1.00 0.00 C ATOM 337 O ASP A 23 -26.057 -47.507 7.426 1.00 0.00 O ATOM 338 CB ASP A 23 -26.668 -47.039 10.430 1.00 0.00 C ATOM 339 CG ASP A 23 -26.081 -48.401 10.814 1.00 0.00 C ATOM 340 OD1 ASP A 23 -24.987 -48.705 10.370 1.00 0.00 O ATOM 341 OD2 ASP A 23 -26.739 -49.118 11.550 1.00 0.00 O ATOM 0 H ASP A 23 -27.032 -45.346 8.088 1.00 0.00 H new ATOM 0 HA ASP A 23 -24.806 -45.983 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -26.829 -46.439 11.325 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.641 -47.174 9.957 1.00 0.00 H new ATOM 346 N GLY A 24 -24.069 -47.675 8.348 1.00 0.00 N ATOM 347 CA GLY A 24 -23.583 -48.569 7.259 1.00 0.00 C ATOM 348 C GLY A 24 -23.029 -47.722 6.113 1.00 0.00 C ATOM 349 O GLY A 24 -23.195 -48.045 4.954 1.00 0.00 O ATOM 0 H GLY A 24 -23.385 -47.467 9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.809 -49.236 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -24.397 -49.198 6.900 1.00 0.00 H new ATOM 353 N SER A 25 -22.373 -46.637 6.427 1.00 0.00 N ATOM 354 CA SER A 25 -21.810 -45.768 5.351 1.00 0.00 C ATOM 355 C SER A 25 -20.376 -45.357 5.707 1.00 0.00 C ATOM 356 O SER A 25 -19.961 -45.466 6.843 1.00 0.00 O ATOM 357 CB SER A 25 -22.752 -44.567 5.300 1.00 0.00 C ATOM 358 OG SER A 25 -24.057 -45.015 4.955 1.00 0.00 O ATOM 0 H SER A 25 -22.202 -46.315 7.380 1.00 0.00 H new ATOM 0 HA SER A 25 -21.748 -46.265 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 25 -22.771 -44.062 6.266 1.00 0.00 H new ATOM 0 HB3 SER A 25 -22.397 -43.842 4.568 1.00 0.00 H new ATOM 0 HG SER A 25 -24.706 -44.654 5.594 1.00 0.00 H new ATOM 364 N VAL A 26 -19.599 -44.919 4.745 1.00 0.00 N ATOM 365 CA VAL A 26 -18.184 -44.552 5.060 1.00 0.00 C ATOM 366 C VAL A 26 -17.779 -43.217 4.436 1.00 0.00 C ATOM 367 O VAL A 26 -18.234 -42.839 3.375 1.00 0.00 O ATOM 368 CB VAL A 26 -17.356 -45.697 4.475 1.00 0.00 C ATOM 369 CG1 VAL A 26 -15.886 -45.285 4.372 1.00 0.00 C ATOM 370 CG2 VAL A 26 -17.482 -46.922 5.380 1.00 0.00 C ATOM 0 H VAL A 26 -19.878 -44.801 3.771 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.034 -44.423 6.132 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.726 -45.935 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.306 -46.108 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.797 -44.413 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.506 -45.040 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.893 -47.741 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -17.115 -46.677 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -18.528 -47.222 5.442 1.00 0.00 H new ATOM 380 N VAL A 27 -16.914 -42.503 5.106 1.00 0.00 N ATOM 381 CA VAL A 27 -16.466 -41.180 4.582 1.00 0.00 C ATOM 382 C VAL A 27 -14.979 -41.162 4.303 1.00 0.00 C ATOM 383 O VAL A 27 -14.168 -41.307 5.195 1.00 0.00 O ATOM 384 CB VAL A 27 -16.783 -40.194 5.695 1.00 0.00 C ATOM 385 CG1 VAL A 27 -16.052 -38.869 5.459 1.00 0.00 C ATOM 386 CG2 VAL A 27 -18.269 -39.946 5.696 1.00 0.00 C ATOM 0 H VAL A 27 -16.498 -42.780 5.995 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.962 -40.943 3.641 1.00 0.00 H new ATOM 0 HB VAL A 27 -16.459 -40.605 6.651 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.289 -38.174 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.977 -39.046 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.369 -38.443 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -18.520 -39.240 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -18.570 -39.533 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -18.795 -40.885 5.868 1.00 0.00 H new ATOM 396 N THR A 28 -14.610 -40.933 3.082 1.00 0.00 N ATOM 397 CA THR A 28 -13.171 -40.855 2.779 1.00 0.00 C ATOM 398 C THR A 28 -12.648 -39.537 3.330 1.00 0.00 C ATOM 399 O THR A 28 -12.875 -38.482 2.772 1.00 0.00 O ATOM 400 CB THR A 28 -13.055 -40.906 1.255 1.00 0.00 C ATOM 401 OG1 THR A 28 -14.342 -41.098 0.685 1.00 0.00 O ATOM 402 CG2 THR A 28 -12.140 -42.061 0.857 1.00 0.00 C ATOM 0 H THR A 28 -15.238 -40.798 2.290 1.00 0.00 H new ATOM 0 HA THR A 28 -12.592 -41.665 3.224 1.00 0.00 H new ATOM 0 HB THR A 28 -12.637 -39.968 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.266 -41.129 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.055 -42.100 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.153 -41.910 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.558 -42.999 1.222 1.00 0.00 H new ATOM 410 N TYR A 29 -11.974 -39.585 4.438 1.00 0.00 N ATOM 411 CA TYR A 29 -11.465 -38.331 5.045 1.00 0.00 C ATOM 412 C TYR A 29 -10.368 -37.733 4.160 1.00 0.00 C ATOM 413 O TYR A 29 -9.405 -38.392 3.822 1.00 0.00 O ATOM 414 CB TYR A 29 -10.871 -38.761 6.389 1.00 0.00 C ATOM 415 CG TYR A 29 -11.897 -38.663 7.496 1.00 0.00 C ATOM 416 CD1 TYR A 29 -13.237 -38.361 7.216 1.00 0.00 C ATOM 417 CD2 TYR A 29 -11.496 -38.885 8.818 1.00 0.00 C ATOM 418 CE1 TYR A 29 -14.167 -38.279 8.257 1.00 0.00 C ATOM 419 CE2 TYR A 29 -12.425 -38.803 9.858 1.00 0.00 C ATOM 420 CZ TYR A 29 -13.762 -38.497 9.579 1.00 0.00 C ATOM 421 OH TYR A 29 -14.680 -38.414 10.606 1.00 0.00 O ATOM 0 H TYR A 29 -11.753 -40.439 4.951 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.245 -37.578 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.506 -39.786 6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.013 -38.133 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.551 -38.192 6.197 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.465 -39.121 9.035 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -15.199 -38.047 8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.112 -38.976 10.877 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.689 -37.502 10.963 1.00 0.00 H new ATOM 431 N SER A 30 -10.495 -36.490 3.788 1.00 0.00 N ATOM 432 CA SER A 30 -9.445 -35.866 2.937 1.00 0.00 C ATOM 433 C SER A 30 -8.169 -35.685 3.758 1.00 0.00 C ATOM 434 O SER A 30 -8.186 -35.756 4.971 1.00 0.00 O ATOM 435 CB SER A 30 -10.015 -34.512 2.518 1.00 0.00 C ATOM 436 OG SER A 30 -11.434 -34.581 2.519 1.00 0.00 O ATOM 0 H SER A 30 -11.276 -35.882 4.035 1.00 0.00 H new ATOM 0 HA SER A 30 -9.192 -36.475 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.677 -33.734 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.653 -34.243 1.526 1.00 0.00 H new ATOM 0 HG SER A 30 -11.804 -33.714 2.252 1.00 0.00 H new ATOM 442 N CYS A 31 -7.060 -35.463 3.114 1.00 0.00 N ATOM 443 CA CYS A 31 -5.790 -35.291 3.872 1.00 0.00 C ATOM 444 C CYS A 31 -4.994 -34.107 3.319 1.00 0.00 C ATOM 445 O CYS A 31 -5.057 -33.798 2.146 1.00 0.00 O ATOM 446 CB CYS A 31 -5.028 -36.598 3.650 1.00 0.00 C ATOM 447 SG CYS A 31 -4.669 -37.368 5.246 1.00 0.00 S ATOM 0 H CYS A 31 -6.977 -35.393 2.100 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.962 -35.087 4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.619 -37.275 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.100 -36.403 3.112 1.00 0.00 H new ATOM 452 N ASN A 32 -4.241 -33.447 4.155 1.00 0.00 N ATOM 453 CA ASN A 32 -3.435 -32.287 3.678 1.00 0.00 C ATOM 454 C ASN A 32 -2.377 -32.760 2.675 1.00 0.00 C ATOM 455 O ASN A 32 -1.813 -33.827 2.812 1.00 0.00 O ATOM 456 CB ASN A 32 -2.771 -31.724 4.935 1.00 0.00 C ATOM 457 CG ASN A 32 -3.098 -30.236 5.061 1.00 0.00 C ATOM 458 OD1 ASN A 32 -4.108 -29.869 5.627 1.00 0.00 O ATOM 459 ND2 ASN A 32 -2.280 -29.356 4.551 1.00 0.00 N ATOM 0 H ASN A 32 -4.149 -33.660 5.148 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.043 -31.539 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.123 -32.260 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.692 -31.867 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.489 -28.361 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.432 -29.664 4.076 1.00 0.00 H new ATOM 466 N SER A 33 -2.106 -31.976 1.667 1.00 0.00 N ATOM 467 CA SER A 33 -1.085 -32.385 0.658 1.00 0.00 C ATOM 468 C SER A 33 0.290 -32.524 1.317 1.00 0.00 C ATOM 469 O SER A 33 0.934 -31.546 1.643 1.00 0.00 O ATOM 470 CB SER A 33 -1.073 -31.256 -0.373 1.00 0.00 C ATOM 471 OG SER A 33 -0.598 -31.758 -1.614 1.00 0.00 O ATOM 0 H SER A 33 -2.546 -31.071 1.498 1.00 0.00 H new ATOM 0 HA SER A 33 -1.317 -33.349 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.076 -30.847 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.436 -30.441 -0.029 1.00 0.00 H new ATOM 0 HG SER A 33 -0.591 -31.037 -2.277 1.00 0.00 H new ATOM 477 N GLY A 34 0.749 -33.731 1.512 1.00 0.00 N ATOM 478 CA GLY A 34 2.084 -33.924 2.146 1.00 0.00 C ATOM 479 C GLY A 34 1.970 -34.905 3.316 1.00 0.00 C ATOM 480 O GLY A 34 2.960 -35.365 3.848 1.00 0.00 O ATOM 0 H GLY A 34 0.258 -34.589 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.794 -34.303 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.470 -32.968 2.499 1.00 0.00 H new ATOM 484 N TYR A 35 0.773 -35.226 3.725 1.00 0.00 N ATOM 485 CA TYR A 35 0.606 -36.172 4.868 1.00 0.00 C ATOM 486 C TYR A 35 -0.051 -37.475 4.399 1.00 0.00 C ATOM 487 O TYR A 35 -0.880 -37.479 3.510 1.00 0.00 O ATOM 488 CB TYR A 35 -0.305 -35.441 5.854 1.00 0.00 C ATOM 489 CG TYR A 35 0.535 -34.759 6.908 1.00 0.00 C ATOM 490 CD1 TYR A 35 1.314 -33.646 6.571 1.00 0.00 C ATOM 491 CD2 TYR A 35 0.532 -35.239 8.223 1.00 0.00 C ATOM 492 CE1 TYR A 35 2.091 -33.014 7.550 1.00 0.00 C ATOM 493 CE2 TYR A 35 1.309 -34.608 9.201 1.00 0.00 C ATOM 494 CZ TYR A 35 2.088 -33.495 8.865 1.00 0.00 C ATOM 495 OH TYR A 35 2.854 -32.873 9.831 1.00 0.00 O ATOM 0 H TYR A 35 -0.095 -34.876 3.319 1.00 0.00 H new ATOM 0 HA TYR A 35 1.562 -36.446 5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.913 -34.706 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.992 -36.146 6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.316 -33.275 5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.070 -36.097 8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.693 -32.155 7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.307 -34.980 10.215 1.00 0.00 H new ATOM 0 HH TYR A 35 2.736 -33.333 10.688 1.00 0.00 H new ATOM 505 N SER A 36 0.311 -38.581 4.993 1.00 0.00 N ATOM 506 CA SER A 36 -0.295 -39.882 4.582 1.00 0.00 C ATOM 507 C SER A 36 -1.626 -40.107 5.293 1.00 0.00 C ATOM 508 O SER A 36 -1.783 -39.797 6.458 1.00 0.00 O ATOM 509 CB SER A 36 0.700 -40.953 5.016 1.00 0.00 C ATOM 510 OG SER A 36 0.653 -42.032 4.091 1.00 0.00 O ATOM 0 H SER A 36 0.999 -38.640 5.744 1.00 0.00 H new ATOM 0 HA SER A 36 -0.489 -39.905 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.707 -40.537 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.459 -41.306 6.019 1.00 0.00 H new ATOM 0 HG SER A 36 0.109 -42.757 4.462 1.00 0.00 H new ATOM 516 N LEU A 37 -2.577 -40.672 4.606 1.00 0.00 N ATOM 517 CA LEU A 37 -3.888 -40.950 5.248 1.00 0.00 C ATOM 518 C LEU A 37 -3.925 -42.412 5.681 1.00 0.00 C ATOM 519 O LEU A 37 -4.247 -43.293 4.908 1.00 0.00 O ATOM 520 CB LEU A 37 -4.939 -40.674 4.173 1.00 0.00 C ATOM 521 CG LEU A 37 -6.325 -41.028 4.715 1.00 0.00 C ATOM 522 CD1 LEU A 37 -7.168 -39.758 4.830 1.00 0.00 C ATOM 523 CD2 LEU A 37 -7.007 -42.009 3.758 1.00 0.00 C ATOM 0 H LEU A 37 -2.503 -40.953 3.628 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.065 -40.337 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.908 -39.625 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.725 -41.261 3.280 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.226 -41.486 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.156 -40.011 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.681 -39.058 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.270 -39.298 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.995 -42.264 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.106 -41.549 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.406 -42.914 3.675 1.00 0.00 H new ATOM 535 N ILE A 38 -3.593 -42.675 6.910 1.00 0.00 N ATOM 536 CA ILE A 38 -3.603 -44.086 7.398 1.00 0.00 C ATOM 537 C ILE A 38 -5.035 -44.469 7.757 1.00 0.00 C ATOM 538 O ILE A 38 -5.831 -43.627 8.111 1.00 0.00 O ATOM 539 CB ILE A 38 -2.712 -44.134 8.655 1.00 0.00 C ATOM 540 CG1 ILE A 38 -1.675 -42.996 8.657 1.00 0.00 C ATOM 541 CG2 ILE A 38 -1.972 -45.466 8.704 1.00 0.00 C ATOM 542 CD1 ILE A 38 -0.974 -42.930 7.299 1.00 0.00 C ATOM 0 H ILE A 38 -3.315 -41.978 7.601 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.233 -44.778 6.642 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.358 -44.019 9.525 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.165 -42.046 8.870 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.942 -43.161 9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.342 -45.500 9.593 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.694 -46.282 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.350 -45.570 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.241 -42.123 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.469 -43.876 7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.711 -42.744 6.518 1.00 0.00 H new ATOM 554 N GLY A 39 -5.377 -45.721 7.669 1.00 0.00 N ATOM 555 CA GLY A 39 -6.770 -46.127 8.010 1.00 0.00 C ATOM 556 C GLY A 39 -7.362 -46.948 6.865 1.00 0.00 C ATOM 557 O GLY A 39 -6.667 -47.681 6.190 1.00 0.00 O ATOM 0 H GLY A 39 -4.759 -46.478 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.774 -46.712 8.930 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.382 -45.244 8.192 1.00 0.00 H new ATOM 561 N ASN A 40 -8.642 -46.830 6.639 1.00 0.00 N ATOM 562 CA ASN A 40 -9.275 -47.603 5.534 1.00 0.00 C ATOM 563 C ASN A 40 -9.924 -46.653 4.534 1.00 0.00 C ATOM 564 O ASN A 40 -11.084 -46.783 4.198 1.00 0.00 O ATOM 565 CB ASN A 40 -10.326 -48.484 6.208 1.00 0.00 C ATOM 566 CG ASN A 40 -9.679 -49.268 7.351 1.00 0.00 C ATOM 567 OD1 ASN A 40 -8.986 -50.239 7.122 1.00 0.00 O ATOM 568 ND2 ASN A 40 -9.877 -48.884 8.583 1.00 0.00 N ATOM 0 H ASN A 40 -9.275 -46.233 7.171 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.550 -48.199 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.140 -47.869 6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.760 -49.171 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.450 -49.399 9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.459 -48.069 8.776 1.00 0.00 H new ATOM 575 N SER A 41 -9.160 -45.712 4.057 1.00 0.00 N ATOM 576 CA SER A 41 -9.671 -44.719 3.059 1.00 0.00 C ATOM 577 C SER A 41 -11.181 -44.491 3.205 1.00 0.00 C ATOM 578 O SER A 41 -11.913 -44.529 2.237 1.00 0.00 O ATOM 579 CB SER A 41 -9.360 -45.338 1.697 1.00 0.00 C ATOM 580 OG SER A 41 -9.984 -46.612 1.607 1.00 0.00 O ATOM 0 H SER A 41 -8.183 -45.583 4.319 1.00 0.00 H new ATOM 0 HA SER A 41 -9.205 -43.743 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.718 -44.688 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.282 -45.438 1.568 1.00 0.00 H new ATOM 0 HG SER A 41 -9.788 -47.011 0.734 1.00 0.00 H new ATOM 586 N GLY A 42 -11.659 -44.255 4.397 1.00 0.00 N ATOM 587 CA GLY A 42 -13.124 -44.027 4.563 1.00 0.00 C ATOM 588 C GLY A 42 -13.559 -44.334 5.996 1.00 0.00 C ATOM 589 O GLY A 42 -13.343 -45.419 6.500 1.00 0.00 O ATOM 0 H GLY A 42 -11.107 -44.210 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.366 -42.993 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.677 -44.658 3.867 1.00 0.00 H new ATOM 593 N VAL A 43 -14.199 -43.399 6.651 1.00 0.00 N ATOM 594 CA VAL A 43 -14.671 -43.669 8.040 1.00 0.00 C ATOM 595 C VAL A 43 -15.835 -44.647 7.951 1.00 0.00 C ATOM 596 O VAL A 43 -16.222 -45.039 6.873 1.00 0.00 O ATOM 597 CB VAL A 43 -15.154 -42.335 8.619 1.00 0.00 C ATOM 598 CG1 VAL A 43 -15.070 -42.397 10.146 1.00 0.00 C ATOM 599 CG2 VAL A 43 -14.279 -41.184 8.123 1.00 0.00 C ATOM 0 H VAL A 43 -14.413 -42.470 6.288 1.00 0.00 H new ATOM 0 HA VAL A 43 -13.887 -44.090 8.669 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.181 -42.163 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.412 -41.452 10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.701 -43.207 10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.038 -42.576 10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.638 -40.246 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.248 -41.351 8.434 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.326 -41.134 7.035 1.00 0.00 H new ATOM 609 N LEU A 44 -16.411 -45.044 9.046 1.00 0.00 N ATOM 610 CA LEU A 44 -17.554 -45.992 8.945 1.00 0.00 C ATOM 611 C LEU A 44 -18.632 -45.669 9.973 1.00 0.00 C ATOM 612 O LEU A 44 -18.607 -46.158 11.085 1.00 0.00 O ATOM 613 CB LEU A 44 -16.967 -47.378 9.227 1.00 0.00 C ATOM 614 CG LEU A 44 -17.893 -48.486 8.685 1.00 0.00 C ATOM 615 CD1 LEU A 44 -17.809 -49.705 9.603 1.00 0.00 C ATOM 616 CD2 LEU A 44 -19.353 -48.011 8.634 1.00 0.00 C ATOM 0 H LEU A 44 -16.149 -44.761 9.990 1.00 0.00 H new ATOM 0 HA LEU A 44 -18.024 -45.932 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -15.983 -47.462 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -16.827 -47.507 10.300 1.00 0.00 H new ATOM 0 HG LEU A 44 -17.569 -48.739 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.462 -50.491 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.782 -50.069 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.123 -49.426 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.983 -48.812 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.683 -47.741 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -19.430 -47.142 7.981 1.00 0.00 H new ATOM 628 N CYS A 45 -19.602 -44.882 9.607 1.00 0.00 N ATOM 629 CA CYS A 45 -20.688 -44.583 10.572 1.00 0.00 C ATOM 630 C CYS A 45 -21.654 -45.762 10.590 1.00 0.00 C ATOM 631 O CYS A 45 -22.401 -45.987 9.653 1.00 0.00 O ATOM 632 CB CYS A 45 -21.375 -43.318 10.067 1.00 0.00 C ATOM 633 SG CYS A 45 -21.810 -42.282 11.489 1.00 0.00 S ATOM 0 H CYS A 45 -19.689 -44.438 8.693 1.00 0.00 H new ATOM 0 HA CYS A 45 -20.320 -44.430 11.587 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -20.715 -42.774 9.392 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.270 -43.575 9.500 1.00 0.00 H new ATOM 638 N SER A 46 -21.625 -46.530 11.640 1.00 0.00 N ATOM 639 CA SER A 46 -22.523 -47.713 11.722 1.00 0.00 C ATOM 640 C SER A 46 -23.175 -47.788 13.106 1.00 0.00 C ATOM 641 O SER A 46 -22.553 -48.176 14.075 1.00 0.00 O ATOM 642 CB SER A 46 -21.608 -48.915 11.490 1.00 0.00 C ATOM 643 OG SER A 46 -22.004 -49.979 12.343 1.00 0.00 O ATOM 0 H SER A 46 -21.017 -46.390 12.447 1.00 0.00 H new ATOM 0 HA SER A 46 -23.334 -47.671 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 46 -21.660 -49.230 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.572 -48.641 11.688 1.00 0.00 H new ATOM 0 HG SER A 46 -21.955 -49.685 13.277 1.00 0.00 H new ATOM 649 N GLY A 47 -24.421 -47.416 13.206 1.00 0.00 N ATOM 650 CA GLY A 47 -25.108 -47.463 14.527 1.00 0.00 C ATOM 651 C GLY A 47 -25.195 -46.050 15.106 1.00 0.00 C ATOM 652 O GLY A 47 -25.529 -45.861 16.258 1.00 0.00 O ATOM 0 H GLY A 47 -24.993 -47.082 12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -26.107 -47.884 14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.563 -48.115 15.210 1.00 0.00 H new ATOM 656 N GLY A 48 -24.896 -45.055 14.316 1.00 0.00 N ATOM 657 CA GLY A 48 -24.962 -43.657 14.826 1.00 0.00 C ATOM 658 C GLY A 48 -23.653 -43.310 15.536 1.00 0.00 C ATOM 659 O GLY A 48 -23.588 -42.382 16.318 1.00 0.00 O ATOM 0 H GLY A 48 -24.610 -45.150 13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -25.135 -42.966 14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -25.801 -43.549 15.514 1.00 0.00 H new ATOM 663 N GLU A 49 -22.609 -44.048 15.273 1.00 0.00 N ATOM 664 CA GLU A 49 -21.305 -43.759 15.938 1.00 0.00 C ATOM 665 C GLU A 49 -20.152 -43.908 14.943 1.00 0.00 C ATOM 666 O GLU A 49 -19.598 -44.977 14.777 1.00 0.00 O ATOM 667 CB GLU A 49 -21.186 -44.801 17.048 1.00 0.00 C ATOM 668 CG GLU A 49 -22.260 -44.544 18.106 1.00 0.00 C ATOM 669 CD GLU A 49 -21.718 -44.912 19.488 1.00 0.00 C ATOM 670 OE1 GLU A 49 -21.745 -46.085 19.820 1.00 0.00 O ATOM 671 OE2 GLU A 49 -21.288 -44.013 20.193 1.00 0.00 O ATOM 0 H GLU A 49 -22.602 -44.838 14.627 1.00 0.00 H new ATOM 0 HA GLU A 49 -21.260 -42.741 16.324 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -21.300 -45.803 16.634 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -20.196 -44.754 17.501 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.558 -43.496 18.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -23.150 -45.132 17.885 1.00 0.00 H new ATOM 678 N TRP A 50 -19.781 -42.844 14.286 1.00 0.00 N ATOM 679 CA TRP A 50 -18.656 -42.924 13.309 1.00 0.00 C ATOM 680 C TRP A 50 -17.511 -43.751 13.900 1.00 0.00 C ATOM 681 O TRP A 50 -17.154 -43.595 15.050 1.00 0.00 O ATOM 682 CB TRP A 50 -18.215 -41.473 13.101 1.00 0.00 C ATOM 683 CG TRP A 50 -19.130 -40.809 12.125 1.00 0.00 C ATOM 684 CD1 TRP A 50 -20.066 -39.882 12.434 1.00 0.00 C ATOM 685 CD2 TRP A 50 -19.212 -41.010 10.688 1.00 0.00 C ATOM 686 NE1 TRP A 50 -20.718 -39.502 11.274 1.00 0.00 N ATOM 687 CE2 TRP A 50 -20.227 -40.171 10.170 1.00 0.00 C ATOM 688 CE3 TRP A 50 -18.509 -41.833 9.794 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -20.534 -40.153 8.810 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -18.813 -41.818 8.427 1.00 0.00 C ATOM 691 CH2 TRP A 50 -19.824 -40.979 7.937 1.00 0.00 C ATOM 0 H TRP A 50 -20.207 -41.922 14.383 1.00 0.00 H new ATOM 0 HA TRP A 50 -18.948 -43.401 12.373 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -18.229 -40.938 14.051 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -17.189 -41.443 12.733 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -20.271 -39.501 13.424 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -21.469 -38.813 11.239 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -17.729 -42.482 10.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -21.314 -39.506 8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -18.267 -42.455 7.747 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -20.054 -40.972 6.882 1.00 0.00 H new ATOM 702 N SER A 51 -16.935 -44.633 13.128 1.00 0.00 N ATOM 703 CA SER A 51 -15.820 -45.466 13.662 1.00 0.00 C ATOM 704 C SER A 51 -14.806 -45.799 12.562 1.00 0.00 C ATOM 705 O SER A 51 -15.061 -45.626 11.386 1.00 0.00 O ATOM 706 CB SER A 51 -16.491 -46.741 14.172 1.00 0.00 C ATOM 707 OG SER A 51 -17.301 -47.292 13.141 1.00 0.00 O ATOM 0 H SER A 51 -17.187 -44.812 12.156 1.00 0.00 H new ATOM 0 HA SER A 51 -15.266 -44.947 14.444 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.736 -47.464 14.482 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.099 -46.519 15.049 1.00 0.00 H new ATOM 0 HG SER A 51 -17.369 -46.653 12.401 1.00 0.00 H new ATOM 713 N ASP A 52 -13.656 -46.281 12.949 1.00 0.00 N ATOM 714 CA ASP A 52 -12.601 -46.641 11.955 1.00 0.00 C ATOM 715 C ASP A 52 -12.230 -45.442 11.080 1.00 0.00 C ATOM 716 O ASP A 52 -12.428 -45.453 9.882 1.00 0.00 O ATOM 717 CB ASP A 52 -13.210 -47.762 11.111 1.00 0.00 C ATOM 718 CG ASP A 52 -12.550 -49.094 11.477 1.00 0.00 C ATOM 719 OD1 ASP A 52 -12.978 -49.698 12.447 1.00 0.00 O ATOM 720 OD2 ASP A 52 -11.628 -49.486 10.781 1.00 0.00 O ATOM 0 H ASP A 52 -13.399 -46.443 13.923 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.679 -46.953 12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.285 -47.818 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.067 -47.552 10.051 1.00 0.00 H new ATOM 725 N PRO A 53 -11.684 -44.452 11.724 1.00 0.00 N ATOM 726 CA PRO A 53 -11.244 -43.222 11.039 1.00 0.00 C ATOM 727 C PRO A 53 -9.768 -43.338 10.646 1.00 0.00 C ATOM 728 O PRO A 53 -8.986 -43.932 11.361 1.00 0.00 O ATOM 729 CB PRO A 53 -11.413 -42.160 12.116 1.00 0.00 C ATOM 730 CG PRO A 53 -11.311 -42.895 13.430 1.00 0.00 C ATOM 731 CD PRO A 53 -11.434 -44.380 13.156 1.00 0.00 C ATOM 0 HA PRO A 53 -11.798 -43.010 10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.642 -41.393 12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.375 -41.656 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.360 -42.676 13.915 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.098 -42.568 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.524 -44.914 13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.249 -44.825 13.727 1.00 0.00 H new ATOM 739 N PRO A 54 -9.429 -42.756 9.530 1.00 0.00 N ATOM 740 CA PRO A 54 -8.031 -42.788 9.060 1.00 0.00 C ATOM 741 C PRO A 54 -7.231 -41.663 9.723 1.00 0.00 C ATOM 742 O PRO A 54 -7.766 -40.870 10.472 1.00 0.00 O ATOM 743 CB PRO A 54 -8.157 -42.561 7.561 1.00 0.00 C ATOM 744 CG PRO A 54 -9.447 -41.815 7.374 1.00 0.00 C ATOM 745 CD PRO A 54 -10.299 -42.027 8.606 1.00 0.00 C ATOM 0 HA PRO A 54 -7.511 -43.715 9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.313 -41.987 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.169 -43.508 7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.253 -40.753 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.968 -42.173 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.624 -41.078 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.198 -42.597 8.374 1.00 0.00 H new ATOM 753 N THR A 55 -5.955 -41.589 9.464 1.00 0.00 N ATOM 754 CA THR A 55 -5.134 -40.513 10.098 1.00 0.00 C ATOM 755 C THR A 55 -4.290 -39.772 9.067 1.00 0.00 C ATOM 756 O THR A 55 -3.729 -40.361 8.165 1.00 0.00 O ATOM 757 CB THR A 55 -4.200 -41.238 11.066 1.00 0.00 C ATOM 758 OG1 THR A 55 -3.552 -42.292 10.384 1.00 0.00 O ATOM 759 CG2 THR A 55 -4.996 -41.806 12.235 1.00 0.00 C ATOM 0 H THR A 55 -5.446 -42.221 8.846 1.00 0.00 H new ATOM 0 HA THR A 55 -5.774 -39.776 10.584 1.00 0.00 H new ATOM 0 HB THR A 55 -3.462 -40.533 11.448 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.892 -42.708 10.977 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.321 -42.321 12.919 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.497 -40.994 12.762 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.740 -42.510 11.861 1.00 0.00 H new ATOM 767 N CYS A 56 -4.157 -38.487 9.226 1.00 0.00 N ATOM 768 CA CYS A 56 -3.305 -37.712 8.290 1.00 0.00 C ATOM 769 C CYS A 56 -1.969 -37.465 8.963 1.00 0.00 C ATOM 770 O CYS A 56 -1.768 -36.483 9.650 1.00 0.00 O ATOM 771 CB CYS A 56 -4.046 -36.402 8.034 1.00 0.00 C ATOM 772 SG CYS A 56 -3.796 -35.896 6.316 1.00 0.00 S ATOM 0 H CYS A 56 -4.602 -37.941 9.964 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.120 -38.230 7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.110 -36.528 8.237 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.682 -35.628 8.709 1.00 0.00 H new ATOM 777 N GLN A 57 -1.066 -38.379 8.792 1.00 0.00 N ATOM 778 CA GLN A 57 0.256 -38.245 9.440 1.00 0.00 C ATOM 779 C GLN A 57 1.366 -38.220 8.388 1.00 0.00 C ATOM 780 O GLN A 57 1.119 -38.059 7.211 1.00 0.00 O ATOM 781 CB GLN A 57 0.377 -39.495 10.307 1.00 0.00 C ATOM 782 CG GLN A 57 -0.946 -39.766 11.032 1.00 0.00 C ATOM 783 CD GLN A 57 -1.229 -38.635 12.021 1.00 0.00 C ATOM 784 OE1 GLN A 57 -0.323 -38.112 12.640 1.00 0.00 O ATOM 785 NE2 GLN A 57 -2.458 -38.234 12.199 1.00 0.00 N ATOM 0 H GLN A 57 -1.189 -39.219 8.227 1.00 0.00 H new ATOM 0 HA GLN A 57 0.348 -37.324 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.643 -40.352 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.179 -39.366 11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.759 -39.843 10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.895 -40.719 11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.218 -38.673 11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.659 -37.481 12.858 1.00 0.00 H new ATOM 794 N ILE A 58 2.586 -38.396 8.806 1.00 0.00 N ATOM 795 CA ILE A 58 3.716 -38.405 7.832 1.00 0.00 C ATOM 796 C ILE A 58 4.348 -39.796 7.834 1.00 0.00 C ATOM 797 O ILE A 58 5.035 -40.176 8.761 1.00 0.00 O ATOM 798 CB ILE A 58 4.730 -37.348 8.308 1.00 0.00 C ATOM 799 CG1 ILE A 58 4.118 -36.433 9.379 1.00 0.00 C ATOM 800 CG2 ILE A 58 5.152 -36.491 7.114 1.00 0.00 C ATOM 801 CD1 ILE A 58 4.274 -37.080 10.757 1.00 0.00 C ATOM 0 H ILE A 58 2.853 -38.534 9.781 1.00 0.00 H new ATOM 0 HA ILE A 58 3.385 -38.176 6.819 1.00 0.00 H new ATOM 0 HB ILE A 58 5.588 -37.864 8.739 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.610 -35.460 9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.063 -36.260 9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.870 -35.739 7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.611 -37.125 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.276 -35.997 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.839 -36.429 11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.762 -38.042 10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.332 -37.230 10.971 1.00 0.00 H new ATOM 813 N VAL A 59 4.091 -40.572 6.819 1.00 0.00 N ATOM 814 CA VAL A 59 4.646 -41.957 6.782 1.00 0.00 C ATOM 815 C VAL A 59 5.969 -42.013 6.049 1.00 0.00 C ATOM 816 O VAL A 59 6.198 -42.880 5.234 1.00 0.00 O ATOM 817 CB VAL A 59 3.606 -42.772 6.032 1.00 0.00 C ATOM 818 CG1 VAL A 59 2.244 -42.571 6.691 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.558 -42.294 4.579 1.00 0.00 C ATOM 0 H VAL A 59 3.522 -40.310 6.014 1.00 0.00 H new ATOM 0 HA VAL A 59 4.838 -42.331 7.788 1.00 0.00 H new ATOM 0 HB VAL A 59 3.864 -43.831 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.492 -43.153 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.290 -42.901 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.976 -41.515 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.815 -42.872 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.289 -41.238 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.536 -42.431 4.118 1.00 0.00 H new ATOM 829 N LYS A 60 6.850 -41.129 6.353 1.00 0.00 N ATOM 830 CA LYS A 60 8.172 -41.171 5.678 1.00 0.00 C ATOM 831 C LYS A 60 9.100 -42.080 6.491 1.00 0.00 C ATOM 832 O LYS A 60 9.662 -41.679 7.490 1.00 0.00 O ATOM 833 CB LYS A 60 8.680 -39.728 5.676 1.00 0.00 C ATOM 834 CG LYS A 60 7.987 -38.938 4.564 1.00 0.00 C ATOM 835 CD LYS A 60 8.368 -37.460 4.680 1.00 0.00 C ATOM 836 CE LYS A 60 8.297 -36.799 3.302 1.00 0.00 C ATOM 837 NZ LYS A 60 8.966 -35.479 3.476 1.00 0.00 N ATOM 0 H LYS A 60 6.724 -40.380 7.033 1.00 0.00 H new ATOM 0 HA LYS A 60 8.123 -41.562 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.485 -39.262 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.760 -39.713 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.282 -39.326 3.589 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.906 -39.054 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.694 -36.954 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.374 -37.365 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.803 -37.402 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.264 -36.679 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.958 -34.964 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.459 -34.925 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.949 -35.626 3.782 1.00 0.00 H new ATOM 851 N CYS A 61 9.230 -43.310 6.087 1.00 0.00 N ATOM 852 CA CYS A 61 10.080 -44.271 6.849 1.00 0.00 C ATOM 853 C CYS A 61 11.566 -43.936 6.740 1.00 0.00 C ATOM 854 O CYS A 61 11.987 -43.197 5.871 1.00 0.00 O ATOM 855 CB CYS A 61 9.781 -45.621 6.212 1.00 0.00 C ATOM 856 SG CYS A 61 7.989 -45.854 6.173 1.00 0.00 S ATOM 0 H CYS A 61 8.782 -43.696 5.256 1.00 0.00 H new ATOM 0 HA CYS A 61 9.859 -44.246 7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.190 -45.662 5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 61 10.255 -46.421 6.781 1.00 0.00 H new ATOM 861 N PRO A 62 12.305 -44.504 7.653 1.00 0.00 N ATOM 862 CA PRO A 62 13.772 -44.290 7.709 1.00 0.00 C ATOM 863 C PRO A 62 14.469 -45.009 6.554 1.00 0.00 C ATOM 864 O PRO A 62 14.661 -44.464 5.485 1.00 0.00 O ATOM 865 CB PRO A 62 14.168 -44.919 9.044 1.00 0.00 C ATOM 866 CG PRO A 62 13.104 -45.928 9.330 1.00 0.00 C ATOM 867 CD PRO A 62 11.837 -45.401 8.718 1.00 0.00 C ATOM 0 HA PRO A 62 14.052 -43.240 7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 62 15.150 -45.388 8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.222 -44.169 9.833 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.365 -46.897 8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.985 -46.072 10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.221 -46.207 8.319 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.231 -44.869 9.451 1.00 0.00 H new ATOM 875 N HIS A 63 14.853 -46.232 6.775 1.00 0.00 N ATOM 876 CA HIS A 63 15.544 -47.019 5.727 1.00 0.00 C ATOM 877 C HIS A 63 15.449 -48.492 6.099 1.00 0.00 C ATOM 878 O HIS A 63 15.679 -48.855 7.236 1.00 0.00 O ATOM 879 CB HIS A 63 16.991 -46.556 5.784 1.00 0.00 C ATOM 880 CG HIS A 63 17.405 -45.973 4.462 1.00 0.00 C ATOM 881 ND1 HIS A 63 18.463 -45.086 4.353 1.00 0.00 N ATOM 882 CD2 HIS A 63 16.934 -46.154 3.186 1.00 0.00 C ATOM 883 CE1 HIS A 63 18.596 -44.771 3.053 1.00 0.00 C ATOM 884 NE2 HIS A 63 17.688 -45.394 2.297 1.00 0.00 N ATOM 0 H HIS A 63 14.713 -46.727 7.656 1.00 0.00 H new ATOM 0 HA HIS A 63 15.119 -46.886 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 63 17.111 -45.811 6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 63 17.639 -47.395 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.104 -46.789 2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 63 19.346 -44.096 2.667 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.572 -45.327 1.286 1.00 0.00 H new ATOM 892 N PRO A 64 15.103 -49.295 5.146 1.00 0.00 N ATOM 893 CA PRO A 64 14.970 -50.735 5.413 1.00 0.00 C ATOM 894 C PRO A 64 16.352 -51.382 5.458 1.00 0.00 C ATOM 895 O PRO A 64 16.699 -52.201 4.633 1.00 0.00 O ATOM 896 CB PRO A 64 14.155 -51.240 4.236 1.00 0.00 C ATOM 897 CG PRO A 64 14.408 -50.266 3.126 1.00 0.00 C ATOM 898 CD PRO A 64 14.811 -48.953 3.753 1.00 0.00 C ATOM 0 HA PRO A 64 14.497 -50.964 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.459 -52.247 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.095 -51.286 4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.195 -50.633 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.514 -50.140 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.682 -48.526 3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.011 -48.216 3.683 1.00 0.00 H new ATOM 906 N THR A 65 17.140 -51.011 6.423 1.00 0.00 N ATOM 907 CA THR A 65 18.504 -51.592 6.542 1.00 0.00 C ATOM 908 C THR A 65 18.436 -52.934 7.265 1.00 0.00 C ATOM 909 O THR A 65 17.406 -53.316 7.783 1.00 0.00 O ATOM 910 CB THR A 65 19.288 -50.583 7.376 1.00 0.00 C ATOM 911 OG1 THR A 65 18.381 -49.777 8.115 1.00 0.00 O ATOM 912 CG2 THR A 65 20.123 -49.704 6.453 1.00 0.00 C ATOM 0 H THR A 65 16.898 -50.326 7.139 1.00 0.00 H new ATOM 0 HA THR A 65 18.966 -51.770 5.571 1.00 0.00 H new ATOM 0 HB THR A 65 19.947 -51.110 8.066 1.00 0.00 H new ATOM 0 HG1 THR A 65 18.882 -49.129 8.653 1.00 0.00 H new ATOM 0 HG21 THR A 65 20.684 -48.982 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 65 20.817 -50.326 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.466 -49.174 5.763 1.00 0.00 H new ATOM 920 N ILE A 66 19.521 -53.653 7.312 1.00 0.00 N ATOM 921 CA ILE A 66 19.495 -54.965 8.014 1.00 0.00 C ATOM 922 C ILE A 66 20.909 -55.554 8.106 1.00 0.00 C ATOM 923 O ILE A 66 21.829 -55.102 7.453 1.00 0.00 O ATOM 924 CB ILE A 66 18.545 -55.864 7.190 1.00 0.00 C ATOM 925 CG1 ILE A 66 18.991 -57.329 7.257 1.00 0.00 C ATOM 926 CG2 ILE A 66 18.507 -55.421 5.728 1.00 0.00 C ATOM 927 CD1 ILE A 66 17.945 -58.203 6.561 1.00 0.00 C ATOM 0 H ILE A 66 20.417 -53.393 6.899 1.00 0.00 H new ATOM 0 HA ILE A 66 19.142 -54.874 9.041 1.00 0.00 H new ATOM 0 HB ILE A 66 17.548 -55.769 7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 66 19.962 -57.449 6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 66 19.109 -57.639 8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 66 17.832 -56.069 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 66 18.154 -54.391 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 66 19.508 -55.486 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 66 18.256 -59.247 6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.984 -58.089 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 66 17.849 -57.896 5.519 1.00 0.00 H new ATOM 939 N SER A 67 21.082 -56.553 8.930 1.00 0.00 N ATOM 940 CA SER A 67 22.429 -57.174 9.093 1.00 0.00 C ATOM 941 C SER A 67 22.774 -58.058 7.893 1.00 0.00 C ATOM 942 O SER A 67 22.207 -59.116 7.706 1.00 0.00 O ATOM 943 CB SER A 67 22.323 -58.023 10.359 1.00 0.00 C ATOM 944 OG SER A 67 22.811 -57.280 11.468 1.00 0.00 O ATOM 0 H SER A 67 20.345 -56.968 9.500 1.00 0.00 H new ATOM 0 HA SER A 67 23.213 -56.420 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 67 21.286 -58.313 10.530 1.00 0.00 H new ATOM 0 HB3 SER A 67 22.897 -58.943 10.243 1.00 0.00 H new ATOM 0 HG SER A 67 22.742 -57.823 12.281 1.00 0.00 H new ATOM 950 N ASN A 68 23.713 -57.636 7.089 1.00 0.00 N ATOM 951 CA ASN A 68 24.117 -58.450 5.905 1.00 0.00 C ATOM 952 C ASN A 68 22.897 -59.106 5.253 1.00 0.00 C ATOM 953 O ASN A 68 22.971 -60.206 4.744 1.00 0.00 O ATOM 954 CB ASN A 68 25.060 -59.514 6.467 1.00 0.00 C ATOM 955 CG ASN A 68 26.426 -58.889 6.750 1.00 0.00 C ATOM 956 OD1 ASN A 68 27.391 -59.173 6.069 1.00 0.00 O ATOM 957 ND2 ASN A 68 26.551 -58.042 7.736 1.00 0.00 N ATOM 0 H ASN A 68 24.220 -56.758 7.202 1.00 0.00 H new ATOM 0 HA ASN A 68 24.590 -57.842 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 68 24.645 -59.936 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 68 25.164 -60.334 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 68 27.458 -57.620 7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 68 25.741 -57.803 8.309 1.00 0.00 H new ATOM 964 N GLY A 69 21.775 -58.443 5.260 1.00 0.00 N ATOM 965 CA GLY A 69 20.562 -59.040 4.634 1.00 0.00 C ATOM 966 C GLY A 69 19.744 -57.941 3.960 1.00 0.00 C ATOM 967 O GLY A 69 18.534 -58.011 3.880 1.00 0.00 O ATOM 0 H GLY A 69 21.645 -57.518 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 69 20.851 -59.794 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 69 19.960 -59.544 5.390 1.00 0.00 H new ATOM 971 N TYR A 70 20.408 -56.921 3.493 1.00 0.00 N ATOM 972 CA TYR A 70 19.709 -55.786 2.823 1.00 0.00 C ATOM 973 C TYR A 70 18.670 -56.254 1.824 1.00 0.00 C ATOM 974 O TYR A 70 18.363 -57.418 1.696 1.00 0.00 O ATOM 975 CB TYR A 70 20.797 -55.017 2.077 1.00 0.00 C ATOM 976 CG TYR A 70 21.244 -55.801 0.857 1.00 0.00 C ATOM 977 CD1 TYR A 70 21.791 -57.086 0.996 1.00 0.00 C ATOM 978 CD2 TYR A 70 21.106 -55.238 -0.420 1.00 0.00 C ATOM 979 CE1 TYR A 70 22.197 -57.801 -0.137 1.00 0.00 C ATOM 980 CE2 TYR A 70 21.514 -55.956 -1.551 1.00 0.00 C ATOM 981 CZ TYR A 70 22.059 -57.236 -1.409 1.00 0.00 C ATOM 982 OH TYR A 70 22.461 -57.943 -2.524 1.00 0.00 O ATOM 0 H TYR A 70 21.422 -56.823 3.548 1.00 0.00 H new ATOM 0 HA TYR A 70 19.183 -55.185 3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.420 -54.040 1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 70 21.646 -54.840 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 70 21.899 -57.523 1.978 1.00 0.00 H new ATOM 0 HD2 TYR A 70 20.685 -54.250 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 70 22.617 -58.790 -0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 70 21.408 -55.521 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 70 22.295 -57.408 -3.328 1.00 0.00 H new ATOM 992 N LEU A 71 18.156 -55.321 1.094 1.00 0.00 N ATOM 993 CA LEU A 71 17.144 -55.652 0.056 1.00 0.00 C ATOM 994 C LEU A 71 17.692 -55.308 -1.330 1.00 0.00 C ATOM 995 O LEU A 71 18.603 -54.518 -1.472 1.00 0.00 O ATOM 996 CB LEU A 71 15.871 -54.843 0.402 1.00 0.00 C ATOM 997 CG LEU A 71 16.169 -53.369 0.723 1.00 0.00 C ATOM 998 CD1 LEU A 71 16.692 -53.249 2.150 1.00 0.00 C ATOM 999 CD2 LEU A 71 17.192 -52.784 -0.253 1.00 0.00 C ATOM 0 H LEU A 71 18.392 -54.331 1.167 1.00 0.00 H new ATOM 0 HA LEU A 71 16.907 -56.716 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.175 -54.894 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.375 -55.303 1.257 1.00 0.00 H new ATOM 0 HG LEU A 71 15.242 -52.805 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.902 -52.203 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.942 -53.625 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.607 -53.833 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.381 -51.741 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.122 -53.348 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.802 -52.846 -1.269 1.00 0.00 H new ATOM 1011 N SER A 72 17.162 -55.910 -2.354 1.00 0.00 N ATOM 1012 CA SER A 72 17.673 -55.623 -3.722 1.00 0.00 C ATOM 1013 C SER A 72 16.523 -55.660 -4.731 1.00 0.00 C ATOM 1014 O SER A 72 16.718 -55.938 -5.898 1.00 0.00 O ATOM 1015 CB SER A 72 18.674 -56.741 -4.012 1.00 0.00 C ATOM 1016 OG SER A 72 19.715 -56.237 -4.839 1.00 0.00 O ATOM 0 H SER A 72 16.400 -56.586 -2.305 1.00 0.00 H new ATOM 0 HA SER A 72 18.131 -54.636 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 72 19.088 -57.125 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.173 -57.574 -4.505 1.00 0.00 H new ATOM 0 HG SER A 72 20.359 -56.951 -5.026 1.00 0.00 H new ATOM 1022 N SER A 73 15.325 -55.392 -4.290 1.00 0.00 N ATOM 1023 CA SER A 73 14.164 -55.422 -5.226 1.00 0.00 C ATOM 1024 C SER A 73 13.633 -54.009 -5.473 1.00 0.00 C ATOM 1025 O SER A 73 13.828 -53.438 -6.528 1.00 0.00 O ATOM 1026 CB SER A 73 13.111 -56.273 -4.518 1.00 0.00 C ATOM 1027 OG SER A 73 12.639 -57.274 -5.410 1.00 0.00 O ATOM 0 H SER A 73 15.099 -55.154 -3.324 1.00 0.00 H new ATOM 0 HA SER A 73 14.435 -55.828 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.538 -56.735 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.283 -55.646 -4.186 1.00 0.00 H new ATOM 0 HG SER A 73 11.964 -57.823 -4.958 1.00 0.00 H new ATOM 1033 N GLY A 74 12.958 -53.443 -4.512 1.00 0.00 N ATOM 1034 CA GLY A 74 12.409 -52.071 -4.698 1.00 0.00 C ATOM 1035 C GLY A 74 12.844 -51.171 -3.542 1.00 0.00 C ATOM 1036 O GLY A 74 12.071 -50.857 -2.658 1.00 0.00 O ATOM 0 H GLY A 74 12.763 -53.870 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.758 -51.656 -5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.321 -52.110 -4.749 1.00 0.00 H new ATOM 1040 N PHE A 75 14.074 -50.745 -3.551 1.00 0.00 N ATOM 1041 CA PHE A 75 14.565 -49.852 -2.463 1.00 0.00 C ATOM 1042 C PHE A 75 14.664 -48.414 -2.984 1.00 0.00 C ATOM 1043 O PHE A 75 14.615 -48.172 -4.174 1.00 0.00 O ATOM 1044 CB PHE A 75 15.948 -50.398 -2.094 1.00 0.00 C ATOM 1045 CG PHE A 75 16.755 -49.326 -1.398 1.00 0.00 C ATOM 1046 CD1 PHE A 75 17.362 -48.313 -2.149 1.00 0.00 C ATOM 1047 CD2 PHE A 75 16.897 -49.345 -0.005 1.00 0.00 C ATOM 1048 CE1 PHE A 75 18.111 -47.319 -1.509 1.00 0.00 C ATOM 1049 CE2 PHE A 75 17.647 -48.350 0.636 1.00 0.00 C ATOM 1050 CZ PHE A 75 18.254 -47.337 -0.117 1.00 0.00 C ATOM 0 H PHE A 75 14.764 -50.976 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 75 13.900 -49.834 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 75 15.844 -51.267 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 75 16.468 -50.732 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 75 17.252 -48.298 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 75 16.429 -50.126 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 75 18.579 -46.538 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 75 17.757 -48.364 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 75 18.832 -46.570 0.377 1.00 0.00 H new ATOM 1060 N LYS A 76 14.800 -47.460 -2.107 1.00 0.00 N ATOM 1061 CA LYS A 76 14.899 -46.043 -2.561 1.00 0.00 C ATOM 1062 C LYS A 76 15.461 -45.164 -1.440 1.00 0.00 C ATOM 1063 O LYS A 76 15.471 -45.546 -0.287 1.00 0.00 O ATOM 1064 CB LYS A 76 13.463 -45.637 -2.894 1.00 0.00 C ATOM 1065 CG LYS A 76 13.470 -44.604 -4.022 1.00 0.00 C ATOM 1066 CD LYS A 76 12.358 -43.581 -3.784 1.00 0.00 C ATOM 1067 CE LYS A 76 11.414 -43.566 -4.989 1.00 0.00 C ATOM 1068 NZ LYS A 76 10.097 -43.133 -4.444 1.00 0.00 N ATOM 0 H LYS A 76 14.847 -47.598 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 76 15.566 -45.927 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.887 -46.513 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.978 -45.222 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.437 -44.103 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.325 -45.098 -4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.806 -43.832 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.787 -42.590 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.767 -42.879 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.346 -44.552 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.397 -43.099 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.782 -43.809 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.191 -42.188 -4.019 1.00 0.00 H new ATOM 1082 N ARG A 77 15.927 -43.990 -1.769 1.00 0.00 N ATOM 1083 CA ARG A 77 16.486 -43.088 -0.722 1.00 0.00 C ATOM 1084 C ARG A 77 15.438 -42.836 0.362 1.00 0.00 C ATOM 1085 O ARG A 77 15.750 -42.728 1.532 1.00 0.00 O ATOM 1086 CB ARG A 77 16.822 -41.793 -1.459 1.00 0.00 C ATOM 1087 CG ARG A 77 18.154 -41.958 -2.191 1.00 0.00 C ATOM 1088 CD ARG A 77 18.447 -40.701 -3.013 1.00 0.00 C ATOM 1089 NE ARG A 77 19.282 -39.846 -2.124 1.00 0.00 N ATOM 1090 CZ ARG A 77 19.088 -38.556 -2.091 1.00 0.00 C ATOM 1091 NH1 ARG A 77 17.895 -38.081 -1.861 1.00 0.00 N ATOM 1092 NH2 ARG A 77 20.088 -37.740 -2.288 1.00 0.00 N ATOM 0 H ARG A 77 15.945 -43.616 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 77 17.360 -43.512 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.032 -41.550 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.882 -40.965 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.956 -42.131 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.117 -42.831 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.975 -40.946 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.526 -40.193 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 77 20.005 -40.268 -1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.113 -38.718 -1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.744 -37.073 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.021 -38.111 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.936 -36.732 -2.262 1.00 0.00 H new ATOM 1106 N SER A 78 14.198 -42.747 -0.022 1.00 0.00 N ATOM 1107 CA SER A 78 13.119 -42.509 0.978 1.00 0.00 C ATOM 1108 C SER A 78 11.892 -43.356 0.635 1.00 0.00 C ATOM 1109 O SER A 78 11.790 -43.913 -0.440 1.00 0.00 O ATOM 1110 CB SER A 78 12.793 -41.019 0.870 1.00 0.00 C ATOM 1111 OG SER A 78 11.631 -40.736 1.638 1.00 0.00 O ATOM 0 H SER A 78 13.882 -42.829 -0.988 1.00 0.00 H new ATOM 0 HA SER A 78 13.424 -42.782 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.633 -40.424 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.630 -40.745 -0.172 1.00 0.00 H new ATOM 0 HG SER A 78 11.420 -39.781 1.572 1.00 0.00 H new ATOM 1117 N TYR A 79 10.960 -43.459 1.540 1.00 0.00 N ATOM 1118 CA TYR A 79 9.740 -44.270 1.267 1.00 0.00 C ATOM 1119 C TYR A 79 8.504 -43.538 1.795 1.00 0.00 C ATOM 1120 O TYR A 79 8.589 -42.410 2.238 1.00 0.00 O ATOM 1121 CB TYR A 79 9.966 -45.580 2.020 1.00 0.00 C ATOM 1122 CG TYR A 79 11.360 -46.092 1.730 1.00 0.00 C ATOM 1123 CD1 TYR A 79 12.457 -45.603 2.456 1.00 0.00 C ATOM 1124 CD2 TYR A 79 11.557 -47.058 0.735 1.00 0.00 C ATOM 1125 CE1 TYR A 79 13.745 -46.083 2.184 1.00 0.00 C ATOM 1126 CE2 TYR A 79 12.844 -47.536 0.466 1.00 0.00 C ATOM 1127 CZ TYR A 79 13.938 -47.049 1.189 1.00 0.00 C ATOM 1128 OH TYR A 79 15.207 -47.522 0.924 1.00 0.00 O ATOM 0 H TYR A 79 10.990 -43.016 2.458 1.00 0.00 H new ATOM 0 HA TYR A 79 9.574 -44.442 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.840 -45.423 3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.225 -46.319 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.309 -44.858 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.714 -47.434 0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 79 14.590 -45.707 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.993 -48.282 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 79 15.821 -46.766 0.810 1.00 0.00 H new ATOM 1138 N SER A 80 7.354 -44.157 1.751 1.00 0.00 N ATOM 1139 CA SER A 80 6.134 -43.461 2.255 1.00 0.00 C ATOM 1140 C SER A 80 4.942 -44.431 2.365 1.00 0.00 C ATOM 1141 O SER A 80 4.342 -44.803 1.376 1.00 0.00 O ATOM 1142 CB SER A 80 5.842 -42.386 1.210 1.00 0.00 C ATOM 1143 OG SER A 80 6.646 -41.243 1.473 1.00 0.00 O ATOM 0 H SER A 80 7.207 -45.101 1.393 1.00 0.00 H new ATOM 0 HA SER A 80 6.289 -43.049 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.050 -42.768 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.786 -42.116 1.235 1.00 0.00 H new ATOM 0 HG SER A 80 7.318 -41.465 2.150 1.00 0.00 H new ATOM 1149 N TYR A 81 4.576 -44.812 3.562 1.00 0.00 N ATOM 1150 CA TYR A 81 3.404 -45.722 3.756 1.00 0.00 C ATOM 1151 C TYR A 81 3.419 -46.929 2.788 1.00 0.00 C ATOM 1152 O TYR A 81 2.430 -47.619 2.644 1.00 0.00 O ATOM 1153 CB TYR A 81 2.194 -44.804 3.521 1.00 0.00 C ATOM 1154 CG TYR A 81 1.002 -45.581 3.017 1.00 0.00 C ATOM 1155 CD1 TYR A 81 0.202 -46.300 3.914 1.00 0.00 C ATOM 1156 CD2 TYR A 81 0.693 -45.577 1.652 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -0.906 -47.015 3.445 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -0.415 -46.293 1.183 1.00 0.00 C ATOM 1159 CZ TYR A 81 -1.215 -47.011 2.079 1.00 0.00 C ATOM 1160 OH TYR A 81 -2.307 -47.715 1.615 1.00 0.00 O ATOM 0 H TYR A 81 5.044 -44.529 4.423 1.00 0.00 H new ATOM 0 HA TYR A 81 3.398 -46.184 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.934 -44.298 4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.457 -44.030 2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.440 -46.303 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.309 -45.022 0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.523 -47.570 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.652 -46.291 0.129 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.379 -47.605 0.644 1.00 0.00 H new ATOM 1170 N ASN A 82 4.526 -47.231 2.152 1.00 0.00 N ATOM 1171 CA ASN A 82 4.535 -48.425 1.248 1.00 0.00 C ATOM 1172 C ASN A 82 5.928 -48.694 0.666 1.00 0.00 C ATOM 1173 O ASN A 82 6.874 -48.915 1.390 1.00 0.00 O ATOM 1174 CB ASN A 82 3.538 -48.105 0.142 1.00 0.00 C ATOM 1175 CG ASN A 82 3.160 -49.393 -0.591 1.00 0.00 C ATOM 1176 OD1 ASN A 82 4.012 -50.082 -1.115 1.00 0.00 O ATOM 1177 ND2 ASN A 82 1.906 -49.750 -0.649 1.00 0.00 N ATOM 0 H ASN A 82 5.404 -46.716 2.216 1.00 0.00 H new ATOM 0 HA ASN A 82 4.266 -49.329 1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.647 -47.639 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.971 -47.390 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.642 -50.607 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.190 -49.172 -0.209 1.00 0.00 H new ATOM 1184 N ASP A 83 6.062 -48.724 -0.635 1.00 0.00 N ATOM 1185 CA ASP A 83 7.395 -49.027 -1.221 1.00 0.00 C ATOM 1186 C ASP A 83 7.951 -50.285 -0.553 1.00 0.00 C ATOM 1187 O ASP A 83 8.799 -50.220 0.315 1.00 0.00 O ATOM 1188 CB ASP A 83 8.264 -47.810 -0.907 1.00 0.00 C ATOM 1189 CG ASP A 83 8.181 -46.812 -2.064 1.00 0.00 C ATOM 1190 OD1 ASP A 83 7.276 -46.945 -2.871 1.00 0.00 O ATOM 1191 OD2 ASP A 83 9.025 -45.933 -2.124 1.00 0.00 O ATOM 0 H ASP A 83 5.314 -48.554 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 83 7.358 -49.211 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.930 -47.340 0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.298 -48.118 -0.752 1.00 0.00 H new ATOM 1196 N ASN A 84 7.457 -51.431 -0.936 1.00 0.00 N ATOM 1197 CA ASN A 84 7.930 -52.696 -0.308 1.00 0.00 C ATOM 1198 C ASN A 84 9.377 -53.002 -0.706 1.00 0.00 C ATOM 1199 O ASN A 84 9.753 -52.905 -1.857 1.00 0.00 O ATOM 1200 CB ASN A 84 6.989 -53.777 -0.843 1.00 0.00 C ATOM 1201 CG ASN A 84 7.296 -54.041 -2.318 1.00 0.00 C ATOM 1202 OD1 ASN A 84 6.935 -53.259 -3.176 1.00 0.00 O ATOM 1203 ND2 ASN A 84 7.949 -55.120 -2.653 1.00 0.00 N ATOM 0 H ASN A 84 6.745 -51.545 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 84 7.917 -52.636 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.108 -54.694 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.952 -53.460 -0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.156 -55.307 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.252 -55.777 -1.934 1.00 0.00 H new ATOM 1210 N VAL A 85 10.183 -53.390 0.245 1.00 0.00 N ATOM 1211 CA VAL A 85 11.601 -53.728 -0.052 1.00 0.00 C ATOM 1212 C VAL A 85 11.844 -55.209 0.236 1.00 0.00 C ATOM 1213 O VAL A 85 11.673 -55.670 1.347 1.00 0.00 O ATOM 1214 CB VAL A 85 12.443 -52.870 0.887 1.00 0.00 C ATOM 1215 CG1 VAL A 85 12.401 -51.412 0.426 1.00 0.00 C ATOM 1216 CG2 VAL A 85 11.900 -52.971 2.313 1.00 0.00 C ATOM 0 H VAL A 85 9.915 -53.488 1.224 1.00 0.00 H new ATOM 0 HA VAL A 85 11.853 -53.541 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 85 13.473 -53.228 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.003 -50.800 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.799 -51.339 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.371 -51.056 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.506 -52.356 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.868 -52.621 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.938 -54.009 2.644 1.00 0.00 H new ATOM 1226 N ASP A 86 12.250 -55.956 -0.747 1.00 0.00 N ATOM 1227 CA ASP A 86 12.512 -57.403 -0.510 1.00 0.00 C ATOM 1228 C ASP A 86 13.934 -57.561 0.020 1.00 0.00 C ATOM 1229 O ASP A 86 14.866 -56.999 -0.516 1.00 0.00 O ATOM 1230 CB ASP A 86 12.358 -58.071 -1.876 1.00 0.00 C ATOM 1231 CG ASP A 86 11.517 -59.339 -1.731 1.00 0.00 C ATOM 1232 OD1 ASP A 86 11.085 -59.616 -0.624 1.00 0.00 O ATOM 1233 OD2 ASP A 86 11.318 -60.012 -2.728 1.00 0.00 O ATOM 0 H ASP A 86 12.412 -55.632 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 86 11.835 -57.848 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.883 -57.385 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.338 -58.317 -2.285 1.00 0.00 H new ATOM 1238 N PHE A 87 14.111 -58.286 1.085 1.00 0.00 N ATOM 1239 CA PHE A 87 15.478 -58.420 1.653 1.00 0.00 C ATOM 1240 C PHE A 87 16.243 -59.604 1.066 1.00 0.00 C ATOM 1241 O PHE A 87 15.770 -60.723 1.017 1.00 0.00 O ATOM 1242 CB PHE A 87 15.260 -58.567 3.152 1.00 0.00 C ATOM 1243 CG PHE A 87 14.866 -57.214 3.673 1.00 0.00 C ATOM 1244 CD1 PHE A 87 15.852 -56.253 3.908 1.00 0.00 C ATOM 1245 CD2 PHE A 87 13.517 -56.905 3.880 1.00 0.00 C ATOM 1246 CE1 PHE A 87 15.493 -54.979 4.351 1.00 0.00 C ATOM 1247 CE2 PHE A 87 13.158 -55.632 4.331 1.00 0.00 C ATOM 1248 CZ PHE A 87 14.147 -54.669 4.563 1.00 0.00 C ATOM 0 H PHE A 87 13.376 -58.788 1.584 1.00 0.00 H new ATOM 0 HA PHE A 87 16.098 -57.557 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 87 14.481 -59.301 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.168 -58.919 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.892 -56.496 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 87 12.756 -57.648 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.254 -54.234 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.119 -55.391 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.869 -53.684 4.907 1.00 0.00 H new ATOM 1258 N LYS A 88 17.438 -59.334 0.624 1.00 0.00 N ATOM 1259 CA LYS A 88 18.306 -60.382 0.029 1.00 0.00 C ATOM 1260 C LYS A 88 19.390 -60.775 1.031 1.00 0.00 C ATOM 1261 O LYS A 88 20.445 -60.173 1.073 1.00 0.00 O ATOM 1262 CB LYS A 88 18.942 -59.689 -1.173 1.00 0.00 C ATOM 1263 CG LYS A 88 19.055 -60.671 -2.342 1.00 0.00 C ATOM 1264 CD LYS A 88 17.929 -60.404 -3.343 1.00 0.00 C ATOM 1265 CE LYS A 88 17.891 -61.525 -4.384 1.00 0.00 C ATOM 1266 NZ LYS A 88 16.461 -61.937 -4.453 1.00 0.00 N ATOM 0 H LYS A 88 17.859 -58.405 0.652 1.00 0.00 H new ATOM 0 HA LYS A 88 17.762 -61.287 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 88 18.342 -58.828 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 88 19.930 -59.313 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 88 20.023 -60.562 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.996 -61.696 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.973 -60.344 -2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.085 -59.443 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.249 -61.176 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.528 -62.359 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.354 -62.704 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.150 -62.270 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.879 -61.125 -4.742 1.00 0.00 H new ATOM 1280 N CYS A 89 19.152 -61.768 1.841 1.00 0.00 N ATOM 1281 CA CYS A 89 20.193 -62.163 2.829 1.00 0.00 C ATOM 1282 C CYS A 89 21.558 -62.216 2.142 1.00 0.00 C ATOM 1283 O CYS A 89 21.719 -62.848 1.118 1.00 0.00 O ATOM 1284 CB CYS A 89 19.782 -63.543 3.333 1.00 0.00 C ATOM 1285 SG CYS A 89 19.941 -63.573 5.135 1.00 0.00 S ATOM 0 H CYS A 89 18.293 -62.317 1.862 1.00 0.00 H new ATOM 0 HA CYS A 89 20.273 -61.454 3.653 1.00 0.00 H new ATOM 0 HB2 CYS A 89 18.755 -63.762 3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 89 20.412 -64.312 2.885 1.00 0.00 H new ATOM 1290 N LYS A 90 22.532 -61.538 2.691 1.00 0.00 N ATOM 1291 CA LYS A 90 23.890 -61.527 2.063 1.00 0.00 C ATOM 1292 C LYS A 90 24.226 -62.901 1.468 1.00 0.00 C ATOM 1293 O LYS A 90 23.973 -63.162 0.308 1.00 0.00 O ATOM 1294 CB LYS A 90 24.857 -61.186 3.197 1.00 0.00 C ATOM 1295 CG LYS A 90 25.053 -59.669 3.258 1.00 0.00 C ATOM 1296 CD LYS A 90 25.869 -59.214 2.047 1.00 0.00 C ATOM 1297 CE LYS A 90 25.945 -57.685 2.025 1.00 0.00 C ATOM 1298 NZ LYS A 90 26.948 -57.338 3.070 1.00 0.00 N ATOM 0 H LYS A 90 22.447 -60.991 3.548 1.00 0.00 H new ATOM 0 HA LYS A 90 23.949 -60.809 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 90 24.465 -61.552 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 90 25.814 -61.681 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.086 -59.166 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 90 25.565 -59.394 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 90 26.872 -59.638 2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 90 25.410 -59.579 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.252 -57.318 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 90 24.975 -57.238 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.515 -56.701 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.269 -58.206 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 27.761 -56.865 2.627 1.00 0.00 H new ATOM 1312 N TYR A 91 24.791 -63.781 2.250 1.00 0.00 N ATOM 1313 CA TYR A 91 25.139 -65.135 1.723 1.00 0.00 C ATOM 1314 C TYR A 91 25.289 -66.134 2.873 1.00 0.00 C ATOM 1315 O TYR A 91 25.892 -65.841 3.884 1.00 0.00 O ATOM 1316 CB TYR A 91 26.474 -64.951 1.005 1.00 0.00 C ATOM 1317 CG TYR A 91 26.669 -66.076 0.016 1.00 0.00 C ATOM 1318 CD1 TYR A 91 26.023 -66.036 -1.226 1.00 0.00 C ATOM 1319 CD2 TYR A 91 27.494 -67.160 0.342 1.00 0.00 C ATOM 1320 CE1 TYR A 91 26.202 -67.079 -2.141 1.00 0.00 C ATOM 1321 CE2 TYR A 91 27.673 -68.203 -0.574 1.00 0.00 C ATOM 1322 CZ TYR A 91 27.027 -68.163 -1.816 1.00 0.00 C ATOM 1323 OH TYR A 91 27.204 -69.191 -2.719 1.00 0.00 O ATOM 0 H TYR A 91 25.027 -63.623 3.230 1.00 0.00 H new ATOM 0 HA TYR A 91 24.367 -65.526 1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 91 26.493 -63.991 0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 91 27.290 -64.941 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 91 25.387 -65.200 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 91 27.992 -67.191 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 91 25.704 -67.048 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 91 28.309 -69.039 -0.323 1.00 0.00 H new ATOM 0 HH TYR A 91 27.807 -69.862 -2.336 1.00 0.00 H new ATOM 1333 N GLY A 92 24.746 -67.313 2.728 1.00 0.00 N ATOM 1334 CA GLY A 92 24.860 -68.322 3.819 1.00 0.00 C ATOM 1335 C GLY A 92 24.199 -67.766 5.080 1.00 0.00 C ATOM 1336 O GLY A 92 24.734 -67.851 6.167 1.00 0.00 O ATOM 0 H GLY A 92 24.230 -67.620 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 92 24.380 -69.254 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 92 25.908 -68.551 4.013 1.00 0.00 H new ATOM 1340 N TYR A 93 23.041 -67.184 4.934 1.00 0.00 N ATOM 1341 CA TYR A 93 22.336 -66.602 6.111 1.00 0.00 C ATOM 1342 C TYR A 93 20.830 -66.565 5.848 1.00 0.00 C ATOM 1343 O TYR A 93 20.390 -66.448 4.721 1.00 0.00 O ATOM 1344 CB TYR A 93 22.889 -65.185 6.224 1.00 0.00 C ATOM 1345 CG TYR A 93 24.311 -65.221 6.726 1.00 0.00 C ATOM 1346 CD1 TYR A 93 24.628 -65.910 7.902 1.00 0.00 C ATOM 1347 CD2 TYR A 93 25.315 -64.559 6.010 1.00 0.00 C ATOM 1348 CE1 TYR A 93 25.951 -65.937 8.360 1.00 0.00 C ATOM 1349 CE2 TYR A 93 26.637 -64.587 6.468 1.00 0.00 C ATOM 1350 CZ TYR A 93 26.955 -65.276 7.643 1.00 0.00 C ATOM 1351 OH TYR A 93 28.258 -65.303 8.096 1.00 0.00 O ATOM 0 H TYR A 93 22.550 -67.086 4.045 1.00 0.00 H new ATOM 0 HA TYR A 93 22.489 -67.180 7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 93 22.851 -64.693 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 93 22.270 -64.598 6.903 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.854 -66.420 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 93 25.069 -64.026 5.103 1.00 0.00 H new ATOM 0 HE1 TYR A 93 26.197 -66.468 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 93 27.411 -64.077 5.914 1.00 0.00 H new ATOM 0 HH TYR A 93 28.829 -64.796 7.481 1.00 0.00 H new ATOM 1361 N LYS A 94 20.037 -66.654 6.877 1.00 0.00 N ATOM 1362 CA LYS A 94 18.561 -66.613 6.683 1.00 0.00 C ATOM 1363 C LYS A 94 17.983 -65.383 7.386 1.00 0.00 C ATOM 1364 O LYS A 94 18.218 -65.156 8.556 1.00 0.00 O ATOM 1365 CB LYS A 94 18.031 -67.904 7.310 1.00 0.00 C ATOM 1366 CG LYS A 94 18.444 -67.978 8.782 1.00 0.00 C ATOM 1367 CD LYS A 94 17.974 -69.308 9.373 1.00 0.00 C ATOM 1368 CE LYS A 94 18.792 -70.450 8.766 1.00 0.00 C ATOM 1369 NZ LYS A 94 18.394 -71.660 9.538 1.00 0.00 N ATOM 0 H LYS A 94 20.346 -66.753 7.844 1.00 0.00 H new ATOM 0 HA LYS A 94 18.280 -66.542 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.945 -67.940 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 94 18.421 -68.767 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.527 -67.889 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.008 -67.147 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.090 -69.299 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.914 -69.456 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.576 -70.570 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.862 -70.260 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.914 -72.487 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.618 -71.519 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.372 -71.820 9.430 1.00 0.00 H new ATOM 1383 N LEU A 95 17.242 -64.580 6.677 1.00 0.00 N ATOM 1384 CA LEU A 95 16.663 -63.356 7.298 1.00 0.00 C ATOM 1385 C LEU A 95 15.820 -63.716 8.521 1.00 0.00 C ATOM 1386 O LEU A 95 14.776 -64.328 8.412 1.00 0.00 O ATOM 1387 CB LEU A 95 15.788 -62.734 6.209 1.00 0.00 C ATOM 1388 CG LEU A 95 16.679 -62.118 5.130 1.00 0.00 C ATOM 1389 CD1 LEU A 95 16.269 -62.655 3.758 1.00 0.00 C ATOM 1390 CD2 LEU A 95 16.527 -60.597 5.145 1.00 0.00 C ATOM 0 H LEU A 95 17.012 -64.718 5.693 1.00 0.00 H new ATOM 0 HA LEU A 95 17.437 -62.671 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 95 15.140 -63.493 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 95 15.140 -61.971 6.640 1.00 0.00 H new ATOM 0 HG LEU A 95 17.718 -62.381 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 95 16.905 -62.215 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 95 16.380 -63.739 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.229 -62.394 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 95 17.163 -60.160 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.488 -60.333 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 95 16.822 -60.211 6.121 1.00 0.00 H new ATOM 1402 N SER A 96 16.261 -63.326 9.684 1.00 0.00 N ATOM 1403 CA SER A 96 15.483 -63.628 10.916 1.00 0.00 C ATOM 1404 C SER A 96 14.494 -62.495 11.186 1.00 0.00 C ATOM 1405 O SER A 96 14.832 -61.497 11.790 1.00 0.00 O ATOM 1406 CB SER A 96 16.519 -63.706 12.036 1.00 0.00 C ATOM 1407 OG SER A 96 15.978 -63.124 13.215 1.00 0.00 O ATOM 0 H SER A 96 17.128 -62.810 9.834 1.00 0.00 H new ATOM 0 HA SER A 96 14.911 -64.552 10.831 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.794 -64.744 12.222 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.429 -63.183 11.743 1.00 0.00 H new ATOM 0 HG SER A 96 15.835 -62.165 13.070 1.00 0.00 H new ATOM 1413 N GLY A 97 13.278 -62.634 10.738 1.00 0.00 N ATOM 1414 CA GLY A 97 12.278 -61.557 10.972 1.00 0.00 C ATOM 1415 C GLY A 97 11.386 -61.401 9.742 1.00 0.00 C ATOM 1416 O GLY A 97 10.196 -61.183 9.853 1.00 0.00 O ATOM 0 H GLY A 97 12.934 -63.444 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.670 -61.796 11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.786 -60.617 11.185 1.00 0.00 H new ATOM 1420 N SER A 98 11.947 -61.504 8.568 1.00 0.00 N ATOM 1421 CA SER A 98 11.117 -61.351 7.335 1.00 0.00 C ATOM 1422 C SER A 98 11.996 -61.324 6.080 1.00 0.00 C ATOM 1423 O SER A 98 13.200 -61.457 6.142 1.00 0.00 O ATOM 1424 CB SER A 98 10.399 -60.013 7.523 1.00 0.00 C ATOM 1425 OG SER A 98 9.089 -60.258 8.020 1.00 0.00 O ATOM 0 H SER A 98 12.938 -61.686 8.408 1.00 0.00 H new ATOM 0 HA SER A 98 10.424 -62.181 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.954 -59.382 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.348 -59.476 6.576 1.00 0.00 H new ATOM 0 HG SER A 98 9.138 -60.488 8.971 1.00 0.00 H new ATOM 1431 N SER A 99 11.392 -61.160 4.939 1.00 0.00 N ATOM 1432 CA SER A 99 12.179 -61.123 3.669 1.00 0.00 C ATOM 1433 C SER A 99 11.588 -60.079 2.718 1.00 0.00 C ATOM 1434 O SER A 99 11.947 -60.001 1.559 1.00 0.00 O ATOM 1435 CB SER A 99 12.049 -62.525 3.076 1.00 0.00 C ATOM 1436 OG SER A 99 10.753 -62.676 2.511 1.00 0.00 O ATOM 0 H SER A 99 10.384 -61.049 4.827 1.00 0.00 H new ATOM 0 HA SER A 99 13.221 -60.851 3.836 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.812 -62.682 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.211 -63.276 3.849 1.00 0.00 H new ATOM 0 HG SER A 99 10.666 -63.574 2.128 1.00 0.00 H new ATOM 1442 N SER A 100 10.686 -59.277 3.206 1.00 0.00 N ATOM 1443 CA SER A 100 10.061 -58.229 2.352 1.00 0.00 C ATOM 1444 C SER A 100 9.248 -57.282 3.236 1.00 0.00 C ATOM 1445 O SER A 100 8.268 -57.672 3.840 1.00 0.00 O ATOM 1446 CB SER A 100 9.153 -58.988 1.384 1.00 0.00 C ATOM 1447 OG SER A 100 7.800 -58.841 1.794 1.00 0.00 O ATOM 0 H SER A 100 10.351 -59.302 4.169 1.00 0.00 H new ATOM 0 HA SER A 100 10.793 -57.626 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.282 -58.605 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.426 -60.043 1.363 1.00 0.00 H new ATOM 0 HG SER A 100 7.740 -58.941 2.767 1.00 0.00 H new ATOM 1453 N SER A 101 9.656 -56.048 3.335 1.00 0.00 N ATOM 1454 CA SER A 101 8.907 -55.091 4.205 1.00 0.00 C ATOM 1455 C SER A 101 8.480 -53.857 3.420 1.00 0.00 C ATOM 1456 O SER A 101 8.989 -53.576 2.359 1.00 0.00 O ATOM 1457 CB SER A 101 9.887 -54.707 5.314 1.00 0.00 C ATOM 1458 OG SER A 101 10.346 -55.884 5.969 1.00 0.00 O ATOM 0 H SER A 101 10.469 -55.660 2.856 1.00 0.00 H new ATOM 0 HA SER A 101 7.994 -55.537 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.731 -54.159 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.401 -54.045 6.031 1.00 0.00 H new ATOM 0 HG SER A 101 10.160 -55.818 6.929 1.00 0.00 H new ATOM 1464 N THR A 102 7.539 -53.120 3.936 1.00 0.00 N ATOM 1465 CA THR A 102 7.073 -51.907 3.219 1.00 0.00 C ATOM 1466 C THR A 102 7.081 -50.699 4.155 1.00 0.00 C ATOM 1467 O THR A 102 6.757 -50.798 5.323 1.00 0.00 O ATOM 1468 CB THR A 102 5.646 -52.238 2.773 1.00 0.00 C ATOM 1469 OG1 THR A 102 5.498 -53.648 2.678 1.00 0.00 O ATOM 1470 CG2 THR A 102 5.369 -51.602 1.408 1.00 0.00 C ATOM 0 H THR A 102 7.073 -53.307 4.824 1.00 0.00 H new ATOM 0 HA THR A 102 7.715 -51.652 2.376 1.00 0.00 H new ATOM 0 HB THR A 102 4.939 -51.843 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.585 -53.863 2.394 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.352 -51.840 1.095 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.482 -50.520 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.075 -51.992 0.675 1.00 0.00 H new ATOM 1478 N CYS A 103 7.444 -49.559 3.641 1.00 0.00 N ATOM 1479 CA CYS A 103 7.468 -48.332 4.480 1.00 0.00 C ATOM 1480 C CYS A 103 6.055 -48.048 5.003 1.00 0.00 C ATOM 1481 O CYS A 103 5.329 -47.263 4.437 1.00 0.00 O ATOM 1482 CB CYS A 103 7.926 -47.223 3.523 1.00 0.00 C ATOM 1483 SG CYS A 103 7.526 -45.611 4.231 1.00 0.00 S ATOM 0 H CYS A 103 7.727 -49.424 2.670 1.00 0.00 H new ATOM 0 HA CYS A 103 8.123 -48.416 5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 103 8.999 -47.299 3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 103 7.437 -47.338 2.556 1.00 0.00 H new ATOM 1488 N SER A 104 5.655 -48.682 6.069 1.00 0.00 N ATOM 1489 CA SER A 104 4.280 -48.446 6.600 1.00 0.00 C ATOM 1490 C SER A 104 4.154 -47.039 7.176 1.00 0.00 C ATOM 1491 O SER A 104 5.133 -46.334 7.322 1.00 0.00 O ATOM 1492 CB SER A 104 4.092 -49.491 7.697 1.00 0.00 C ATOM 1493 OG SER A 104 3.336 -50.580 7.184 1.00 0.00 O ATOM 0 H SER A 104 6.217 -49.351 6.595 1.00 0.00 H new ATOM 0 HA SER A 104 3.525 -48.530 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.061 -49.841 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.581 -49.049 8.552 1.00 0.00 H new ATOM 0 HG SER A 104 2.598 -50.783 7.796 1.00 0.00 H new ATOM 1499 N PRO A 105 2.937 -46.677 7.482 1.00 0.00 N ATOM 1500 CA PRO A 105 2.671 -45.340 8.044 1.00 0.00 C ATOM 1501 C PRO A 105 3.135 -45.271 9.495 1.00 0.00 C ATOM 1502 O PRO A 105 2.796 -46.101 10.315 1.00 0.00 O ATOM 1503 CB PRO A 105 1.160 -45.185 7.922 1.00 0.00 C ATOM 1504 CG PRO A 105 0.622 -46.579 7.886 1.00 0.00 C ATOM 1505 CD PRO A 105 1.712 -47.470 7.335 1.00 0.00 C ATOM 0 HA PRO A 105 3.204 -44.541 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.752 -44.628 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.893 -44.637 7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.329 -46.903 8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.269 -46.631 7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.776 -48.408 7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.527 -47.726 6.292 1.00 0.00 H new ATOM 1513 N GLY A 106 3.927 -44.288 9.805 1.00 0.00 N ATOM 1514 CA GLY A 106 4.448 -44.149 11.187 1.00 0.00 C ATOM 1515 C GLY A 106 5.963 -43.946 11.120 1.00 0.00 C ATOM 1516 O GLY A 106 6.594 -43.603 12.098 1.00 0.00 O ATOM 0 H GLY A 106 4.238 -43.568 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.975 -43.303 11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.211 -45.038 11.772 1.00 0.00 H new ATOM 1520 N ASN A 107 6.539 -44.160 9.957 1.00 0.00 N ATOM 1521 CA ASN A 107 8.014 -43.989 9.761 1.00 0.00 C ATOM 1522 C ASN A 107 8.762 -45.235 10.234 1.00 0.00 C ATOM 1523 O ASN A 107 9.363 -45.251 11.290 1.00 0.00 O ATOM 1524 CB ASN A 107 8.432 -42.759 10.575 1.00 0.00 C ATOM 1525 CG ASN A 107 7.388 -41.652 10.407 1.00 0.00 C ATOM 1526 OD1 ASN A 107 7.088 -41.248 9.301 1.00 0.00 O ATOM 1527 ND2 ASN A 107 6.818 -41.143 11.465 1.00 0.00 N ATOM 0 H ASN A 107 6.036 -44.452 9.119 1.00 0.00 H new ATOM 0 HA ASN A 107 8.256 -43.851 8.707 1.00 0.00 H new ATOM 0 HB2 ASN A 107 8.530 -43.023 11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 107 9.408 -42.405 10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 107 6.120 -40.406 11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.070 -41.482 12.393 1.00 0.00 H new ATOM 1534 N THR A 108 8.730 -46.278 9.452 1.00 0.00 N ATOM 1535 CA THR A 108 9.440 -47.525 9.846 1.00 0.00 C ATOM 1536 C THR A 108 9.479 -48.519 8.682 1.00 0.00 C ATOM 1537 O THR A 108 9.346 -48.155 7.531 1.00 0.00 O ATOM 1538 CB THR A 108 8.634 -48.092 11.011 1.00 0.00 C ATOM 1539 OG1 THR A 108 7.405 -47.388 11.133 1.00 0.00 O ATOM 1540 CG2 THR A 108 9.445 -47.938 12.293 1.00 0.00 C ATOM 0 H THR A 108 8.243 -46.320 8.557 1.00 0.00 H new ATOM 0 HA THR A 108 10.476 -47.332 10.123 1.00 0.00 H new ATOM 0 HB THR A 108 8.421 -49.146 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.890 -47.756 11.881 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.878 -48.340 13.133 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.385 -48.481 12.196 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.652 -46.882 12.468 1.00 0.00 H new ATOM 1548 N TRP A 109 9.673 -49.774 8.980 1.00 0.00 N ATOM 1549 CA TRP A 109 9.739 -50.803 7.906 1.00 0.00 C ATOM 1550 C TRP A 109 9.060 -52.093 8.370 1.00 0.00 C ATOM 1551 O TRP A 109 9.637 -52.890 9.083 1.00 0.00 O ATOM 1552 CB TRP A 109 11.230 -51.014 7.683 1.00 0.00 C ATOM 1553 CG TRP A 109 11.692 -50.081 6.611 1.00 0.00 C ATOM 1554 CD1 TRP A 109 12.609 -49.090 6.761 1.00 0.00 C ATOM 1555 CD2 TRP A 109 11.263 -50.031 5.221 1.00 0.00 C ATOM 1556 NE1 TRP A 109 12.765 -48.447 5.548 1.00 0.00 N ATOM 1557 CE2 TRP A 109 11.963 -48.994 4.569 1.00 0.00 C ATOM 1558 CE3 TRP A 109 10.344 -50.784 4.469 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 11.764 -48.713 3.219 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 10.138 -50.503 3.109 1.00 0.00 C ATOM 1561 CH2 TRP A 109 10.849 -49.471 2.483 1.00 0.00 C ATOM 0 H TRP A 109 9.789 -50.132 9.928 1.00 0.00 H new ATOM 0 HA TRP A 109 9.228 -50.500 6.992 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.780 -50.830 8.606 1.00 0.00 H new ATOM 0 HB3 TRP A 109 11.426 -52.047 7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 109 13.129 -48.846 7.675 1.00 0.00 H new ATOM 0 HE1 TRP A 109 13.398 -47.662 5.395 1.00 0.00 H new ATOM 0 HE3 TRP A 109 9.793 -51.584 4.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 12.314 -47.914 2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 9.427 -51.086 2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 109 10.691 -49.262 1.435 1.00 0.00 H new ATOM 1572 N LYS A 110 7.833 -52.300 7.972 1.00 0.00 N ATOM 1573 CA LYS A 110 7.109 -53.533 8.395 1.00 0.00 C ATOM 1574 C LYS A 110 7.122 -54.570 7.261 1.00 0.00 C ATOM 1575 O LYS A 110 7.009 -54.212 6.106 1.00 0.00 O ATOM 1576 CB LYS A 110 5.685 -53.060 8.690 1.00 0.00 C ATOM 1577 CG LYS A 110 5.717 -52.079 9.866 1.00 0.00 C ATOM 1578 CD LYS A 110 4.294 -51.821 10.363 1.00 0.00 C ATOM 1579 CE LYS A 110 4.346 -51.007 11.660 1.00 0.00 C ATOM 1580 NZ LYS A 110 3.136 -50.139 11.621 1.00 0.00 N ATOM 0 H LYS A 110 7.301 -51.669 7.373 1.00 0.00 H new ATOM 0 HA LYS A 110 7.565 -54.015 9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.259 -52.578 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.047 -53.912 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.326 -52.485 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.180 -51.142 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.725 -51.282 9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.780 -52.767 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.337 -51.658 12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.257 -50.411 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.103 -49.551 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.176 -49.526 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 2.284 -50.733 11.576 1.00 0.00 H new ATOM 1594 N PRO A 111 7.265 -55.827 7.617 1.00 0.00 N ATOM 1595 CA PRO A 111 7.402 -56.234 9.043 1.00 0.00 C ATOM 1596 C PRO A 111 8.773 -55.834 9.595 1.00 0.00 C ATOM 1597 O PRO A 111 9.650 -55.418 8.865 1.00 0.00 O ATOM 1598 CB PRO A 111 7.279 -57.755 8.993 1.00 0.00 C ATOM 1599 CG PRO A 111 7.702 -58.126 7.610 1.00 0.00 C ATOM 1600 CD PRO A 111 7.312 -56.984 6.714 1.00 0.00 C ATOM 0 HA PRO A 111 6.662 -55.761 9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 111 7.915 -58.228 9.741 1.00 0.00 H new ATOM 0 HB3 PRO A 111 6.257 -58.076 9.194 1.00 0.00 H new ATOM 0 HG2 PRO A 111 8.777 -58.300 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 111 7.217 -59.049 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.038 -56.838 5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.347 -57.160 6.240 1.00 0.00 H new ATOM 1608 N GLU A 112 8.957 -55.960 10.882 1.00 0.00 N ATOM 1609 CA GLU A 112 10.267 -55.594 11.495 1.00 0.00 C ATOM 1610 C GLU A 112 11.416 -56.054 10.595 1.00 0.00 C ATOM 1611 O GLU A 112 11.501 -57.210 10.228 1.00 0.00 O ATOM 1612 CB GLU A 112 10.294 -56.344 12.827 1.00 0.00 C ATOM 1613 CG GLU A 112 10.843 -55.430 13.922 1.00 0.00 C ATOM 1614 CD GLU A 112 10.987 -56.223 15.222 1.00 0.00 C ATOM 1615 OE1 GLU A 112 11.262 -57.409 15.141 1.00 0.00 O ATOM 1616 OE2 GLU A 112 10.819 -55.631 16.275 1.00 0.00 O ATOM 0 H GLU A 112 8.254 -56.302 11.537 1.00 0.00 H new ATOM 0 HA GLU A 112 10.381 -54.518 11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.290 -56.677 13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.914 -57.236 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.809 -55.024 13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.174 -54.582 14.072 1.00 0.00 H new ATOM 1623 N LEU A 113 12.296 -55.158 10.234 1.00 0.00 N ATOM 1624 CA LEU A 113 13.438 -55.543 9.354 1.00 0.00 C ATOM 1625 C LEU A 113 13.994 -56.898 9.782 1.00 0.00 C ATOM 1626 O LEU A 113 14.056 -57.209 10.955 1.00 0.00 O ATOM 1627 CB LEU A 113 14.473 -54.437 9.538 1.00 0.00 C ATOM 1628 CG LEU A 113 14.599 -53.617 8.245 1.00 0.00 C ATOM 1629 CD1 LEU A 113 13.220 -53.418 7.604 1.00 0.00 C ATOM 1630 CD2 LEU A 113 15.202 -52.249 8.570 1.00 0.00 C ATOM 0 H LEU A 113 12.273 -54.176 10.510 1.00 0.00 H new ATOM 0 HA LEU A 113 13.145 -55.643 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.181 -53.788 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.438 -54.870 9.799 1.00 0.00 H new ATOM 0 HG LEU A 113 15.242 -54.154 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.325 -52.835 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.785 -54.389 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.569 -52.888 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 113 15.293 -51.665 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.555 -51.724 9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 113 16.188 -52.382 9.015 1.00 0.00 H new ATOM 1642 N PRO A 114 14.350 -57.667 8.798 1.00 0.00 N ATOM 1643 CA PRO A 114 14.875 -59.026 9.041 1.00 0.00 C ATOM 1644 C PRO A 114 16.352 -59.009 9.440 1.00 0.00 C ATOM 1645 O PRO A 114 17.038 -58.016 9.302 1.00 0.00 O ATOM 1646 CB PRO A 114 14.692 -59.710 7.696 1.00 0.00 C ATOM 1647 CG PRO A 114 14.677 -58.616 6.673 1.00 0.00 C ATOM 1648 CD PRO A 114 14.294 -57.338 7.371 1.00 0.00 C ATOM 0 HA PRO A 114 14.365 -59.528 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 114 15.502 -60.413 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.763 -60.279 7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.657 -58.517 6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 114 13.966 -58.845 5.879 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.981 -56.529 7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.297 -57.010 7.078 1.00 0.00 H new ATOM 1656 N LYS A 115 16.842 -60.119 9.931 1.00 0.00 N ATOM 1657 CA LYS A 115 18.275 -60.200 10.338 1.00 0.00 C ATOM 1658 C LYS A 115 18.952 -61.375 9.634 1.00 0.00 C ATOM 1659 O LYS A 115 18.738 -62.517 9.975 1.00 0.00 O ATOM 1660 CB LYS A 115 18.252 -60.427 11.851 1.00 0.00 C ATOM 1661 CG LYS A 115 19.688 -60.469 12.383 1.00 0.00 C ATOM 1662 CD LYS A 115 19.802 -59.586 13.627 1.00 0.00 C ATOM 1663 CE LYS A 115 19.013 -60.216 14.778 1.00 0.00 C ATOM 1664 NZ LYS A 115 19.444 -59.472 15.994 1.00 0.00 N ATOM 0 H LYS A 115 16.307 -60.977 10.068 1.00 0.00 H new ATOM 0 HA LYS A 115 18.830 -59.300 10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.695 -59.629 12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.740 -61.361 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.966 -61.494 12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.381 -60.124 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.849 -59.472 13.910 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.419 -58.588 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.939 -60.122 14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.230 -61.280 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.945 -59.848 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.470 -59.585 16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.219 -58.463 15.882 1.00 0.00 H new ATOM 1678 N CYS A 116 19.774 -61.107 8.659 1.00 0.00 N ATOM 1679 CA CYS A 116 20.467 -62.220 7.947 1.00 0.00 C ATOM 1680 C CYS A 116 21.288 -63.028 8.951 1.00 0.00 C ATOM 1681 O CYS A 116 22.423 -62.709 9.248 1.00 0.00 O ATOM 1682 CB CYS A 116 21.363 -61.516 6.924 1.00 0.00 C ATOM 1683 SG CYS A 116 21.671 -62.583 5.488 1.00 0.00 S ATOM 0 H CYS A 116 19.997 -60.170 8.324 1.00 0.00 H new ATOM 0 HA CYS A 116 19.786 -62.921 7.464 1.00 0.00 H new ATOM 0 HB2 CYS A 116 20.891 -60.589 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 116 22.310 -61.245 7.390 1.00 0.00 H new ATOM 1688 N VAL A 117 20.710 -64.070 9.483 1.00 0.00 N ATOM 1689 CA VAL A 117 21.442 -64.902 10.481 1.00 0.00 C ATOM 1690 C VAL A 117 21.782 -66.257 9.917 1.00 0.00 C ATOM 1691 O VAL A 117 21.617 -66.524 8.746 1.00 0.00 O ATOM 1692 CB VAL A 117 20.498 -65.078 11.663 1.00 0.00 C ATOM 1693 CG1 VAL A 117 20.575 -63.840 12.521 1.00 0.00 C ATOM 1694 CG2 VAL A 117 19.059 -65.274 11.179 1.00 0.00 C ATOM 0 H VAL A 117 19.762 -64.382 9.270 1.00 0.00 H new ATOM 0 HA VAL A 117 22.377 -64.419 10.764 1.00 0.00 H new ATOM 0 HB VAL A 117 20.791 -65.959 12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 117 19.905 -63.946 13.374 1.00 0.00 H new ATOM 0 HG12 VAL A 117 21.597 -63.707 12.876 1.00 0.00 H new ATOM 0 HG13 VAL A 117 20.279 -62.971 11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 117 18.400 -65.398 12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 117 18.746 -64.402 10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 117 19.005 -66.162 10.549 1.00 0.00 H new ATOM 1704 N ARG A 118 22.261 -67.116 10.755 1.00 0.00 N ATOM 1705 CA ARG A 118 22.621 -68.463 10.279 1.00 0.00 C ATOM 1706 C ARG A 118 21.489 -69.454 10.569 1.00 0.00 C ATOM 1707 O ARG A 118 20.368 -69.008 10.748 1.00 0.00 O ATOM 1708 CB ARG A 118 23.886 -68.840 11.051 1.00 0.00 C ATOM 1709 CG ARG A 118 25.095 -68.159 10.410 1.00 0.00 C ATOM 1710 CD ARG A 118 26.247 -69.160 10.293 1.00 0.00 C ATOM 1711 NE ARG A 118 26.002 -69.878 9.013 1.00 0.00 N ATOM 1712 CZ ARG A 118 25.468 -71.068 9.027 1.00 0.00 C ATOM 1713 NH1 ARG A 118 25.820 -71.930 9.940 1.00 0.00 N ATOM 1714 NH2 ARG A 118 24.584 -71.397 8.125 1.00 0.00 N ATOM 1715 OXT ARG A 118 21.764 -70.642 10.607 1.00 0.00 O ATOM 0 H ARG A 118 22.419 -66.944 11.748 1.00 0.00 H new ATOM 0 HA ARG A 118 22.786 -68.485 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 118 23.793 -68.535 12.093 1.00 0.00 H new ATOM 0 HB3 ARG A 118 24.019 -69.922 11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 118 24.830 -67.778 9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 118 25.403 -67.303 11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 118 27.212 -68.653 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 118 26.258 -69.850 11.137 1.00 0.00 H new ATOM 0 HE ARG A 118 26.251 -69.440 8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 118 26.513 -71.674 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.402 -72.861 9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 118 24.311 -70.724 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 118 24.166 -72.328 8.136 1.00 0.00 H new