USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 862 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 39 ASN : amide:sc= 0.415 K(o=-0.39,f=-13!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.804 K(o=-0.39,f=-8.9!) USER MOD Single : A 4 ASN : amide:sc= -1.02 K(o=-1,f=-7.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -26:sc= 1.2 USER MOD Single : A 10 THR OG1 : rot -43:sc= 0.423 USER MOD Single : A 13 GLN : amide:sc= -2 K(o=-2,f=-0.84) USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= -0.292 (180deg=-1.84!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 33 THR OG1 : rot 5:sc= 0.991 USER MOD Single : A 34 SER OG : rot 180:sc= 0.11 USER MOD Single : A 37 CYS SG : rot -7:sc= -2.93! USER MOD Single : A 44 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.097) USER MOD Single : A 47 MET CE :methyl 156:sc= -0.142 (180deg=-0.749) USER MOD Single : A 53 GLN : amide:sc= -4.93! C(o=-4.9!,f=-3.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 60 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.41) USER MOD Single : A 61 HIS : no HE2:sc= 0.951 K(o=0.95,f=-6!) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 2.05 (180deg=1.24) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -6.14! C(o=-6.1!,f=-9.2!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 83 ASN : amide:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.55) USER MOD Single : A 88 TYR OH : rot 40:sc= 0.077 USER MOD Single : A 91 THR OG1 : rot 68:sc= 0.658 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 104 LYS NZ :NH3+ -119:sc= 0.642 (180deg=-0.67) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.708 K(o=0.71,f=-3!) USER MOD Single : A 122 LYS NZ :NH3+ -121:sc= 1.01 (180deg=0.212) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.249 8.009 -8.202 1.00 0.00 N ATOM 43 CA ASN A 4 -9.512 8.033 -7.458 1.00 0.00 C ATOM 44 C ASN A 4 -9.206 7.615 -6.037 1.00 0.00 C ATOM 45 O ASN A 4 -10.021 6.990 -5.343 1.00 0.00 O ATOM 46 CB ASN A 4 -10.637 7.151 -8.104 1.00 0.00 C ATOM 47 CG ASN A 4 -10.385 5.641 -8.136 1.00 0.00 C ATOM 48 OD1 ASN A 4 -9.854 5.103 -9.098 1.00 0.00 O ATOM 49 ND2 ASN A 4 -10.781 4.950 -7.097 1.00 0.00 N ATOM 0 HA ASN A 4 -9.921 9.043 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.565 7.331 -7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.794 7.493 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.649 3.939 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.221 5.423 -6.308 1.00 0.00 H new ATOM 56 N LYS A 5 -8.037 8.076 -5.593 1.00 0.00 N ATOM 57 CA LYS A 5 -7.429 7.727 -4.315 1.00 0.00 C ATOM 58 C LYS A 5 -8.316 8.041 -3.130 1.00 0.00 C ATOM 59 O LYS A 5 -8.428 9.187 -2.710 1.00 0.00 O ATOM 60 CB LYS A 5 -6.085 8.444 -4.134 1.00 0.00 C ATOM 61 CG LYS A 5 -5.019 8.060 -5.144 1.00 0.00 C ATOM 62 CD LYS A 5 -3.696 8.796 -4.891 1.00 0.00 C ATOM 63 CE LYS A 5 -3.820 10.305 -5.091 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.522 10.995 -4.908 1.00 0.00 N ATOM 0 H LYS A 5 -7.469 8.727 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.279 6.648 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.252 9.520 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.709 8.235 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.849 6.984 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.374 8.287 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.360 8.594 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.932 8.405 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.201 10.508 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.547 10.706 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.649 12.017 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.170 10.822 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.835 10.631 -5.598 1.00 0.00 H new ATOM 78 N VAL A 6 -8.971 7.038 -2.630 1.00 0.00 N ATOM 79 CA VAL A 6 -9.750 7.175 -1.438 1.00 0.00 C ATOM 80 C VAL A 6 -9.046 6.598 -0.239 1.00 0.00 C ATOM 81 O VAL A 6 -8.519 5.492 -0.287 1.00 0.00 O ATOM 82 CB VAL A 6 -11.167 6.569 -1.550 1.00 0.00 C ATOM 83 CG1 VAL A 6 -12.066 7.478 -2.354 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.129 5.173 -2.179 1.00 0.00 C ATOM 0 H VAL A 6 -8.981 6.103 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.867 8.250 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.569 6.473 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.060 7.037 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.133 8.449 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.654 7.604 -3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.142 4.775 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.700 5.236 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.518 4.513 -1.563 1.00 0.00 H new ATOM 94 N CYS A 7 -9.017 7.375 0.792 1.00 0.00 N ATOM 95 CA CYS A 7 -8.505 7.005 2.082 1.00 0.00 C ATOM 96 C CYS A 7 -9.674 6.460 2.885 1.00 0.00 C ATOM 97 O CYS A 7 -10.800 6.519 2.386 1.00 0.00 O ATOM 98 CB CYS A 7 -7.838 8.209 2.742 1.00 0.00 C ATOM 99 SG CYS A 7 -6.408 8.809 1.802 1.00 0.00 S ATOM 0 H CYS A 7 -9.365 8.333 0.763 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.735 6.237 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.566 9.014 2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.520 7.938 3.749 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.911 7.835 1.099 1.00 0.00 H new ATOM 105 N GLY A 8 -9.409 5.868 4.066 1.00 0.00 N ATOM 106 CA GLY A 8 -10.437 5.187 4.851 1.00 0.00 C ATOM 107 C GLY A 8 -11.753 5.910 4.896 1.00 0.00 C ATOM 108 O GLY A 8 -11.816 7.096 5.213 1.00 0.00 O ATOM 0 H GLY A 8 -8.483 5.852 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.596 4.191 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.073 5.054 5.870 1.00 0.00 H new ATOM 112 N LEU A 9 -12.779 5.198 4.564 1.00 0.00 N ATOM 113 CA LEU A 9 -14.089 5.741 4.442 1.00 0.00 C ATOM 114 C LEU A 9 -15.034 4.785 5.143 1.00 0.00 C ATOM 115 O LEU A 9 -14.610 3.706 5.560 1.00 0.00 O ATOM 116 CB LEU A 9 -14.413 5.876 2.943 1.00 0.00 C ATOM 117 CG LEU A 9 -15.698 6.600 2.552 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.707 8.021 3.092 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.833 6.609 1.045 1.00 0.00 C ATOM 0 H LEU A 9 -12.727 4.199 4.366 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.181 6.728 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.580 6.393 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.452 4.873 2.518 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.545 6.071 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.633 8.515 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.636 7.997 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.858 8.570 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.751 7.126 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.978 7.124 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.867 5.584 0.677 1.00 0.00 H new ATOM 131 N THR A 10 -16.286 5.142 5.282 1.00 0.00 N ATOM 132 CA THR A 10 -17.194 4.297 6.025 1.00 0.00 C ATOM 133 C THR A 10 -18.534 4.238 5.307 1.00 0.00 C ATOM 134 O THR A 10 -19.537 3.759 5.830 1.00 0.00 O ATOM 135 CB THR A 10 -17.324 4.803 7.503 1.00 0.00 C ATOM 136 OG1 THR A 10 -18.151 3.937 8.301 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.867 6.221 7.553 1.00 0.00 C ATOM 0 H THR A 10 -16.697 5.994 4.900 1.00 0.00 H new ATOM 0 HA THR A 10 -16.801 3.281 6.075 1.00 0.00 H new ATOM 0 HB THR A 10 -16.319 4.793 7.924 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.945 3.679 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.946 6.544 8.591 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.193 6.888 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.853 6.250 7.088 1.00 0.00 H new ATOM 145 N ARG A 11 -18.522 4.686 4.088 1.00 0.00 N ATOM 146 CA ARG A 11 -19.703 4.714 3.298 1.00 0.00 C ATOM 147 C ARG A 11 -19.441 3.957 2.014 1.00 0.00 C ATOM 148 O ARG A 11 -18.644 4.395 1.195 1.00 0.00 O ATOM 149 CB ARG A 11 -20.095 6.134 2.943 1.00 0.00 C ATOM 150 CG ARG A 11 -20.451 7.088 4.063 1.00 0.00 C ATOM 151 CD ARG A 11 -20.755 8.443 3.438 1.00 0.00 C ATOM 152 NE ARG A 11 -21.117 9.496 4.383 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.153 10.802 4.049 1.00 0.00 C ATOM 154 NH1 ARG A 11 -20.766 11.195 2.832 1.00 0.00 N ATOM 155 NH2 ARG A 11 -21.555 11.706 4.926 1.00 0.00 N ATOM 0 H ARG A 11 -17.690 5.041 3.618 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.513 4.261 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.271 6.575 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.949 6.083 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.314 6.721 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.627 7.170 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.882 8.769 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.570 8.322 2.724 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.353 9.232 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.442 10.506 2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.794 12.184 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.840 11.417 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.580 12.692 4.667 1.00 0.00 H new ATOM 169 N GLY A 12 -20.096 2.843 1.857 1.00 0.00 N ATOM 170 CA GLY A 12 -19.966 1.996 0.687 1.00 0.00 C ATOM 171 C GLY A 12 -20.373 2.691 -0.585 1.00 0.00 C ATOM 172 O GLY A 12 -19.720 2.605 -1.609 1.00 0.00 O ATOM 0 H GLY A 12 -20.752 2.482 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.932 1.663 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.578 1.104 0.820 1.00 0.00 H new ATOM 176 N GLN A 13 -21.434 3.410 -0.473 1.00 0.00 N ATOM 177 CA GLN A 13 -22.072 4.112 -1.572 1.00 0.00 C ATOM 178 C GLN A 13 -21.195 5.250 -2.014 1.00 0.00 C ATOM 179 O GLN A 13 -21.057 5.542 -3.197 1.00 0.00 O ATOM 180 CB GLN A 13 -23.429 4.658 -1.095 1.00 0.00 C ATOM 181 CG GLN A 13 -24.536 3.627 -0.773 1.00 0.00 C ATOM 182 CD GLN A 13 -24.047 2.265 -0.301 1.00 0.00 C ATOM 183 OE1 GLN A 13 -23.950 1.340 -1.100 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.565 2.183 0.917 1.00 0.00 N ATOM 0 H GLN A 13 -21.915 3.542 0.417 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.225 3.431 -2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.256 5.257 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.809 5.333 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.186 4.046 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -25.146 3.485 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.662 2.971 1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.093 1.332 1.223 1.00 0.00 H new ATOM 193 N ASP A 14 -20.550 5.822 -1.045 1.00 0.00 N ATOM 194 CA ASP A 14 -19.695 6.958 -1.231 1.00 0.00 C ATOM 195 C ASP A 14 -18.387 6.479 -1.826 1.00 0.00 C ATOM 196 O ASP A 14 -17.735 7.171 -2.601 1.00 0.00 O ATOM 197 CB ASP A 14 -19.470 7.598 0.120 1.00 0.00 C ATOM 198 CG ASP A 14 -18.920 8.998 0.036 1.00 0.00 C ATOM 199 OD1 ASP A 14 -19.680 9.923 -0.312 1.00 0.00 O ATOM 200 OD2 ASP A 14 -17.748 9.202 0.328 1.00 0.00 O ATOM 0 H ASP A 14 -20.604 5.505 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 14 -20.140 7.690 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.414 7.619 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.782 6.980 0.696 1.00 0.00 H new ATOM 205 N ALA A 15 -18.042 5.252 -1.478 1.00 0.00 N ATOM 206 CA ALA A 15 -16.879 4.575 -1.993 1.00 0.00 C ATOM 207 C ALA A 15 -17.091 4.254 -3.472 1.00 0.00 C ATOM 208 O ALA A 15 -16.147 4.289 -4.279 1.00 0.00 O ATOM 209 CB ALA A 15 -16.630 3.301 -1.185 1.00 0.00 C ATOM 0 H ALA A 15 -18.578 4.692 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.003 5.217 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.750 2.789 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.466 3.560 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.497 2.645 -1.264 1.00 0.00 H new ATOM 215 N LYS A 16 -18.356 3.989 -3.838 1.00 0.00 N ATOM 216 CA LYS A 16 -18.713 3.699 -5.222 1.00 0.00 C ATOM 217 C LYS A 16 -18.409 4.881 -6.106 1.00 0.00 C ATOM 218 O LYS A 16 -18.033 4.706 -7.236 1.00 0.00 O ATOM 219 CB LYS A 16 -20.188 3.309 -5.403 1.00 0.00 C ATOM 220 CG LYS A 16 -20.639 2.106 -4.602 1.00 0.00 C ATOM 221 CD LYS A 16 -22.023 1.556 -5.032 1.00 0.00 C ATOM 222 CE LYS A 16 -23.197 2.556 -4.914 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.224 3.585 -5.987 1.00 0.00 N ATOM 0 H LYS A 16 -19.143 3.971 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.108 2.839 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.809 4.162 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -20.368 3.110 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.896 1.315 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.677 2.376 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.956 1.220 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.252 0.679 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -24.136 2.002 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.140 3.055 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.966 4.510 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.545 3.328 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -24.180 3.638 -6.393 1.00 0.00 H new ATOM 237 N ALA A 17 -18.525 6.084 -5.559 1.00 0.00 N ATOM 238 CA ALA A 17 -18.270 7.307 -6.311 1.00 0.00 C ATOM 239 C ALA A 17 -16.814 7.377 -6.799 1.00 0.00 C ATOM 240 O ALA A 17 -16.528 7.955 -7.850 1.00 0.00 O ATOM 241 CB ALA A 17 -18.627 8.530 -5.486 1.00 0.00 C ATOM 0 H ALA A 17 -18.797 6.240 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.909 7.292 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.429 9.431 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.684 8.494 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -18.025 8.544 -4.577 1.00 0.00 H new ATOM 247 N ALA A 18 -15.909 6.751 -6.063 1.00 0.00 N ATOM 248 CA ALA A 18 -14.512 6.721 -6.446 1.00 0.00 C ATOM 249 C ALA A 18 -14.318 5.725 -7.582 1.00 0.00 C ATOM 250 O ALA A 18 -13.598 5.973 -8.543 1.00 0.00 O ATOM 251 CB ALA A 18 -13.667 6.345 -5.261 1.00 0.00 C ATOM 0 H ALA A 18 -16.121 6.257 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.205 7.709 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.617 6.324 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.807 7.078 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.963 5.360 -4.901 1.00 0.00 H new ATOM 257 N TYR A 19 -14.993 4.610 -7.478 1.00 0.00 N ATOM 258 CA TYR A 19 -14.978 3.603 -8.517 1.00 0.00 C ATOM 259 C TYR A 19 -15.693 4.142 -9.761 1.00 0.00 C ATOM 260 O TYR A 19 -15.323 3.850 -10.882 1.00 0.00 O ATOM 261 CB TYR A 19 -15.602 2.305 -7.975 1.00 0.00 C ATOM 262 CG TYR A 19 -16.646 1.672 -8.859 1.00 0.00 C ATOM 263 CD1 TYR A 19 -16.276 0.905 -9.937 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.998 1.861 -8.621 1.00 0.00 C ATOM 265 CE1 TYR A 19 -17.216 0.342 -10.769 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.946 1.303 -9.439 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.552 0.543 -10.516 1.00 0.00 C ATOM 268 OH TYR A 19 -19.503 -0.015 -11.347 1.00 0.00 O ATOM 0 H TYR A 19 -15.570 4.370 -6.672 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.957 3.367 -8.816 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.805 1.581 -7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.051 2.515 -7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.227 0.741 -10.135 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.310 2.458 -7.777 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.906 -0.254 -11.615 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.996 1.459 -9.239 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.398 0.223 -11.026 1.00 0.00 H new ATOM 278 N ASP A 20 -16.673 4.956 -9.522 1.00 0.00 N ATOM 279 CA ASP A 20 -17.450 5.629 -10.557 1.00 0.00 C ATOM 280 C ASP A 20 -16.566 6.597 -11.340 1.00 0.00 C ATOM 281 O ASP A 20 -16.753 6.804 -12.533 1.00 0.00 O ATOM 282 CB ASP A 20 -18.598 6.379 -9.886 1.00 0.00 C ATOM 283 CG ASP A 20 -19.456 7.161 -10.828 1.00 0.00 C ATOM 284 OD1 ASP A 20 -20.348 6.576 -11.458 1.00 0.00 O ATOM 285 OD2 ASP A 20 -19.300 8.384 -10.905 1.00 0.00 O ATOM 0 H ASP A 20 -16.977 5.189 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.847 4.896 -11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.223 5.662 -9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -18.186 7.058 -9.140 1.00 0.00 H new ATOM 290 N ALA A 21 -15.564 7.137 -10.658 1.00 0.00 N ATOM 291 CA ALA A 21 -14.636 8.080 -11.257 1.00 0.00 C ATOM 292 C ALA A 21 -13.671 7.398 -12.232 1.00 0.00 C ATOM 293 O ALA A 21 -13.127 8.046 -13.112 1.00 0.00 O ATOM 294 CB ALA A 21 -13.867 8.833 -10.179 1.00 0.00 C ATOM 0 H ALA A 21 -15.374 6.933 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.226 8.794 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.177 9.535 -10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.567 9.380 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.306 8.124 -9.570 1.00 0.00 H new ATOM 300 N GLY A 22 -13.449 6.099 -12.077 1.00 0.00 N ATOM 301 CA GLY A 22 -12.607 5.414 -13.017 1.00 0.00 C ATOM 302 C GLY A 22 -12.361 3.964 -12.666 1.00 0.00 C ATOM 303 O GLY A 22 -11.943 3.188 -13.529 1.00 0.00 O ATOM 0 H GLY A 22 -13.833 5.522 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.062 5.467 -14.006 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.650 5.932 -13.079 1.00 0.00 H new ATOM 307 N ALA A 23 -12.592 3.594 -11.374 1.00 0.00 N ATOM 308 CA ALA A 23 -12.365 2.217 -10.873 1.00 0.00 C ATOM 309 C ALA A 23 -10.900 1.875 -10.992 1.00 0.00 C ATOM 310 O ALA A 23 -10.504 0.706 -11.014 1.00 0.00 O ATOM 311 CB ALA A 23 -13.221 1.202 -11.637 1.00 0.00 C ATOM 0 H ALA A 23 -12.937 4.238 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.661 2.172 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.033 0.201 -11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.275 1.448 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.964 1.233 -12.696 1.00 0.00 H new ATOM 317 N ILE A 24 -10.105 2.917 -10.978 1.00 0.00 N ATOM 318 CA ILE A 24 -8.712 2.834 -11.232 1.00 0.00 C ATOM 319 C ILE A 24 -8.015 2.186 -10.070 1.00 0.00 C ATOM 320 O ILE A 24 -7.547 1.062 -10.186 1.00 0.00 O ATOM 321 CB ILE A 24 -8.115 4.238 -11.477 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.010 5.042 -12.447 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.704 4.104 -12.045 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.535 6.459 -12.674 1.00 0.00 C ATOM 0 H ILE A 24 -10.430 3.864 -10.783 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.564 2.230 -12.127 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.068 4.774 -10.529 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.051 4.523 -13.405 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.027 5.067 -12.054 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.285 5.096 -12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.077 3.563 -11.337 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.742 3.558 -12.987 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.211 6.963 -13.365 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.521 6.995 -11.725 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.530 6.443 -13.096 1.00 0.00 H new ATOM 336 N TYR A 25 -8.002 2.879 -8.952 1.00 0.00 N ATOM 337 CA TYR A 25 -7.352 2.415 -7.741 1.00 0.00 C ATOM 338 C TYR A 25 -7.570 3.433 -6.601 1.00 0.00 C ATOM 339 O TYR A 25 -7.807 4.613 -6.856 1.00 0.00 O ATOM 340 CB TYR A 25 -5.853 2.100 -7.988 1.00 0.00 C ATOM 341 CG TYR A 25 -4.942 3.187 -7.678 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.679 4.185 -8.574 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.374 3.226 -6.450 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.852 5.202 -8.240 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.564 4.215 -6.090 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.287 5.227 -6.988 1.00 0.00 C ATOM 347 OH TYR A 25 -2.447 6.261 -6.644 1.00 0.00 O ATOM 0 H TYR A 25 -8.447 3.792 -8.855 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.808 1.475 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.576 1.231 -7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.722 1.823 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.134 4.162 -9.553 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.584 2.434 -5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.638 5.987 -8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.126 4.228 -5.103 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.131 6.134 -5.725 1.00 0.00 H new ATOM 357 N GLY A 26 -7.454 2.979 -5.380 1.00 0.00 N ATOM 358 CA GLY A 26 -7.704 3.807 -4.226 1.00 0.00 C ATOM 359 C GLY A 26 -6.457 3.946 -3.402 1.00 0.00 C ATOM 360 O GLY A 26 -5.548 3.144 -3.547 1.00 0.00 O ATOM 0 H GLY A 26 -7.183 2.022 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.049 4.791 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.500 3.370 -3.622 1.00 0.00 H new ATOM 364 N GLY A 27 -6.424 4.913 -2.511 1.00 0.00 N ATOM 365 CA GLY A 27 -5.216 5.179 -1.764 1.00 0.00 C ATOM 366 C GLY A 27 -5.479 5.182 -0.292 1.00 0.00 C ATOM 367 O GLY A 27 -5.590 6.246 0.333 1.00 0.00 O ATOM 0 H GLY A 27 -7.211 5.522 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.466 4.424 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.804 6.143 -2.064 1.00 0.00 H new ATOM 371 N LEU A 28 -5.585 4.012 0.267 1.00 0.00 N ATOM 372 CA LEU A 28 -5.897 3.853 1.638 1.00 0.00 C ATOM 373 C LEU A 28 -4.804 3.102 2.328 1.00 0.00 C ATOM 374 O LEU A 28 -4.067 2.347 1.703 1.00 0.00 O ATOM 375 CB LEU A 28 -7.324 3.204 1.879 1.00 0.00 C ATOM 376 CG LEU A 28 -7.707 1.803 1.250 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.673 1.790 -0.274 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.895 0.645 1.829 1.00 0.00 C ATOM 0 H LEU A 28 -5.453 3.133 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.962 4.847 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.454 3.114 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.064 3.923 1.527 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.746 1.648 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.946 0.799 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.380 2.524 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.669 2.038 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.204 -0.288 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.835 0.813 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.066 0.582 2.904 1.00 0.00 H new ATOM 390 N ILE A 29 -4.659 3.360 3.576 1.00 0.00 N ATOM 391 CA ILE A 29 -3.690 2.663 4.375 1.00 0.00 C ATOM 392 C ILE A 29 -4.296 1.868 5.460 1.00 0.00 C ATOM 393 O ILE A 29 -5.375 2.196 5.946 1.00 0.00 O ATOM 394 CB ILE A 29 -2.554 3.534 4.899 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.017 4.951 5.257 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.457 3.524 3.911 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.925 5.836 5.840 1.00 0.00 C ATOM 0 H ILE A 29 -5.203 4.058 4.083 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.233 1.967 3.672 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.188 3.117 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.416 5.428 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.835 4.883 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.636 4.144 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.105 2.502 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.819 3.919 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.336 6.820 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.541 5.385 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.115 5.938 5.118 1.00 0.00 H new ATOM 409 N PHE A 30 -3.586 0.846 5.868 1.00 0.00 N ATOM 410 CA PHE A 30 -4.109 -0.076 6.869 1.00 0.00 C ATOM 411 C PHE A 30 -3.845 0.474 8.269 1.00 0.00 C ATOM 412 O PHE A 30 -2.779 0.214 8.852 1.00 0.00 O ATOM 413 CB PHE A 30 -3.462 -1.492 6.797 1.00 0.00 C ATOM 414 CG PHE A 30 -3.352 -2.150 5.436 1.00 0.00 C ATOM 415 CD1 PHE A 30 -2.242 -1.906 4.669 1.00 0.00 C ATOM 416 CD2 PHE A 30 -4.318 -3.046 4.948 1.00 0.00 C ATOM 417 CE1 PHE A 30 -2.065 -2.502 3.454 1.00 0.00 C ATOM 418 CE2 PHE A 30 -4.143 -3.658 3.691 1.00 0.00 C ATOM 419 CZ PHE A 30 -3.001 -3.371 2.951 1.00 0.00 C ATOM 0 H PHE A 30 -2.649 0.624 5.531 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.175 -0.171 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.459 -1.424 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.035 -2.156 7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.488 -1.225 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.196 -3.266 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.176 -2.287 2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.886 -4.341 3.307 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.851 -3.830 1.985 1.00 0.00 H new ATOM 429 N VAL A 31 -4.732 1.297 8.771 1.00 0.00 N ATOM 430 CA VAL A 31 -4.620 1.739 10.137 1.00 0.00 C ATOM 431 C VAL A 31 -5.828 1.231 10.880 1.00 0.00 C ATOM 432 O VAL A 31 -6.963 1.518 10.486 1.00 0.00 O ATOM 433 CB VAL A 31 -4.490 3.279 10.283 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.407 3.673 11.747 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.272 3.797 9.529 1.00 0.00 C ATOM 0 H VAL A 31 -5.532 1.671 8.260 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.698 1.336 10.556 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.381 3.733 9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.316 4.756 11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.309 3.345 12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.536 3.201 12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.204 4.878 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.371 3.331 9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.368 3.553 8.471 1.00 0.00 H new ATOM 445 N ALA A 32 -5.570 0.474 11.937 1.00 0.00 N ATOM 446 CA ALA A 32 -6.587 -0.213 12.715 1.00 0.00 C ATOM 447 C ALA A 32 -7.718 0.706 13.152 1.00 0.00 C ATOM 448 O ALA A 32 -7.531 1.592 13.995 1.00 0.00 O ATOM 449 CB ALA A 32 -5.958 -0.895 13.922 1.00 0.00 C ATOM 0 H ALA A 32 -4.624 0.318 12.285 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.030 -0.966 12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.732 -1.406 14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.218 -1.621 13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.474 -0.148 14.551 1.00 0.00 H new ATOM 455 N THR A 33 -8.862 0.522 12.508 1.00 0.00 N ATOM 456 CA THR A 33 -10.135 1.197 12.812 1.00 0.00 C ATOM 457 C THR A 33 -10.071 2.727 12.636 1.00 0.00 C ATOM 458 O THR A 33 -10.835 3.478 13.251 1.00 0.00 O ATOM 459 CB THR A 33 -10.700 0.801 14.230 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.795 1.168 15.292 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.943 -0.701 14.298 1.00 0.00 C ATOM 0 H THR A 33 -8.941 -0.127 11.725 1.00 0.00 H new ATOM 0 HA THR A 33 -10.841 0.832 12.066 1.00 0.00 H new ATOM 0 HB THR A 33 -11.635 1.345 14.364 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.035 1.661 14.918 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.333 -0.962 15.282 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.665 -0.988 13.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.005 -1.229 14.127 1.00 0.00 H new ATOM 469 N SER A 34 -9.201 3.183 11.772 1.00 0.00 N ATOM 470 CA SER A 34 -9.083 4.594 11.518 1.00 0.00 C ATOM 471 C SER A 34 -10.203 5.054 10.582 1.00 0.00 C ATOM 472 O SER A 34 -10.580 4.340 9.667 1.00 0.00 O ATOM 473 CB SER A 34 -7.726 4.896 10.894 1.00 0.00 C ATOM 474 OG SER A 34 -7.561 6.287 10.658 1.00 0.00 O ATOM 0 H SER A 34 -8.564 2.597 11.233 1.00 0.00 H new ATOM 0 HA SER A 34 -9.169 5.133 12.462 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.934 4.541 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.627 4.352 9.955 1.00 0.00 H new ATOM 0 HG SER A 34 -6.681 6.449 10.259 1.00 0.00 H new ATOM 480 N PRO A 35 -10.780 6.236 10.805 1.00 0.00 N ATOM 481 CA PRO A 35 -11.774 6.781 9.897 1.00 0.00 C ATOM 482 C PRO A 35 -11.115 7.563 8.764 1.00 0.00 C ATOM 483 O PRO A 35 -11.772 8.254 8.003 1.00 0.00 O ATOM 484 CB PRO A 35 -12.595 7.697 10.793 1.00 0.00 C ATOM 485 CG PRO A 35 -11.618 8.200 11.811 1.00 0.00 C ATOM 486 CD PRO A 35 -10.570 7.118 11.982 1.00 0.00 C ATOM 0 HA PRO A 35 -12.373 6.013 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.035 8.517 10.226 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.417 7.159 11.264 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.161 9.133 11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.118 8.408 12.757 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.563 7.535 11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.703 6.575 12.918 1.00 0.00 H new ATOM 494 N ARG A 36 -9.806 7.470 8.700 1.00 0.00 N ATOM 495 CA ARG A 36 -9.038 8.108 7.656 1.00 0.00 C ATOM 496 C ARG A 36 -8.262 7.063 6.877 1.00 0.00 C ATOM 497 O ARG A 36 -7.615 7.363 5.867 1.00 0.00 O ATOM 498 CB ARG A 36 -8.048 9.107 8.258 1.00 0.00 C ATOM 499 CG ARG A 36 -8.680 10.272 9.001 1.00 0.00 C ATOM 500 CD ARG A 36 -7.612 11.176 9.600 1.00 0.00 C ATOM 501 NE ARG A 36 -6.700 11.711 8.576 1.00 0.00 N ATOM 502 CZ ARG A 36 -5.460 12.173 8.804 1.00 0.00 C ATOM 503 NH1 ARG A 36 -4.959 12.164 10.034 1.00 0.00 N ATOM 504 NH2 ARG A 36 -4.729 12.644 7.798 1.00 0.00 N ATOM 0 H ARG A 36 -9.243 6.949 9.372 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.727 8.633 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.389 8.574 8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.423 9.503 7.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.308 10.846 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.329 9.896 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.091 12.002 10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.038 10.617 10.339 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.038 11.733 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.517 11.805 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.017 12.516 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.110 12.655 6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.787 12.995 7.972 1.00 0.00 H new ATOM 518 N CYS A 37 -8.331 5.826 7.324 1.00 0.00 N ATOM 519 CA CYS A 37 -7.539 4.758 6.771 1.00 0.00 C ATOM 520 C CYS A 37 -8.278 3.446 6.993 1.00 0.00 C ATOM 521 O CYS A 37 -8.679 3.148 8.100 1.00 0.00 O ATOM 522 CB CYS A 37 -6.182 4.726 7.469 1.00 0.00 C ATOM 523 SG CYS A 37 -5.243 6.276 7.397 1.00 0.00 S ATOM 0 H CYS A 37 -8.944 5.536 8.086 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.381 4.911 5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.335 4.460 8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.580 3.934 7.024 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.851 7.115 6.612 1.00 0.00 H new ATOM 529 N VAL A 38 -8.452 2.687 5.955 1.00 0.00 N ATOM 530 CA VAL A 38 -9.223 1.472 6.024 1.00 0.00 C ATOM 531 C VAL A 38 -8.322 0.259 6.054 1.00 0.00 C ATOM 532 O VAL A 38 -7.335 0.179 5.330 1.00 0.00 O ATOM 533 CB VAL A 38 -10.263 1.423 4.833 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.398 0.048 4.211 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.624 1.874 5.320 1.00 0.00 C ATOM 0 H VAL A 38 -8.065 2.888 5.033 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.788 1.460 6.956 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.880 2.094 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.127 0.085 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.433 -0.269 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.732 -0.662 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.336 1.838 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.961 1.214 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.556 2.895 5.696 1.00 0.00 H new ATOM 545 N ASN A 39 -8.675 -0.669 6.890 1.00 0.00 N ATOM 546 CA ASN A 39 -7.954 -1.912 6.998 1.00 0.00 C ATOM 547 C ASN A 39 -8.704 -2.992 6.310 1.00 0.00 C ATOM 548 O ASN A 39 -9.877 -2.794 5.948 1.00 0.00 O ATOM 549 CB ASN A 39 -7.574 -2.279 8.447 1.00 0.00 C ATOM 550 CG ASN A 39 -8.673 -2.071 9.441 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.813 -0.990 10.027 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.433 -3.076 9.695 1.00 0.00 N ATOM 0 H ASN A 39 -9.473 -0.591 7.521 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.997 -1.782 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.266 -3.324 8.476 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.711 -1.684 8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.172 -2.993 10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.297 -3.956 9.198 1.00 0.00 H new ATOM 559 N VAL A 40 -8.055 -4.139 6.145 1.00 0.00 N ATOM 560 CA VAL A 40 -8.576 -5.282 5.382 1.00 0.00 C ATOM 561 C VAL A 40 -10.028 -5.641 5.747 1.00 0.00 C ATOM 562 O VAL A 40 -10.799 -6.050 4.890 1.00 0.00 O ATOM 563 CB VAL A 40 -7.648 -6.528 5.536 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.622 -7.052 6.966 1.00 0.00 C ATOM 565 CG2 VAL A 40 -8.014 -7.634 4.556 1.00 0.00 C ATOM 0 H VAL A 40 -7.132 -4.310 6.544 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.583 -4.972 4.337 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.640 -6.192 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.963 -7.919 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.255 -6.272 7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.629 -7.341 7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.344 -8.482 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.042 -7.951 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.919 -7.262 3.536 1.00 0.00 H new ATOM 575 N GLU A 41 -10.407 -5.394 6.986 1.00 0.00 N ATOM 576 CA GLU A 41 -11.706 -5.742 7.463 1.00 0.00 C ATOM 577 C GLU A 41 -12.794 -4.826 6.901 1.00 0.00 C ATOM 578 O GLU A 41 -13.899 -5.260 6.625 1.00 0.00 O ATOM 579 CB GLU A 41 -11.716 -5.674 8.942 1.00 0.00 C ATOM 580 CG GLU A 41 -10.857 -6.688 9.646 1.00 0.00 C ATOM 581 CD GLU A 41 -11.146 -6.715 11.120 1.00 0.00 C ATOM 582 OE1 GLU A 41 -10.802 -5.748 11.826 1.00 0.00 O ATOM 583 OE2 GLU A 41 -11.743 -7.709 11.597 1.00 0.00 O ATOM 0 H GLU A 41 -9.812 -4.945 7.682 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.925 -6.755 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.392 -4.678 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.743 -5.793 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.033 -7.676 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.805 -6.453 9.483 1.00 0.00 H new ATOM 590 N GLN A 42 -12.480 -3.561 6.748 1.00 0.00 N ATOM 591 CA GLN A 42 -13.445 -2.605 6.209 1.00 0.00 C ATOM 592 C GLN A 42 -13.363 -2.641 4.718 1.00 0.00 C ATOM 593 O GLN A 42 -14.353 -2.521 4.015 1.00 0.00 O ATOM 594 CB GLN A 42 -13.156 -1.210 6.711 1.00 0.00 C ATOM 595 CG GLN A 42 -13.227 -1.100 8.201 1.00 0.00 C ATOM 596 CD GLN A 42 -11.946 -0.586 8.767 1.00 0.00 C ATOM 597 OE1 GLN A 42 -11.242 0.200 8.143 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.577 -1.091 9.873 1.00 0.00 N ATOM 0 H GLN A 42 -11.572 -3.162 6.985 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.448 -2.876 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.164 -0.908 6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.868 -0.515 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.044 -0.434 8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.451 -2.077 8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.188 -1.742 10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.669 -0.845 10.268 1.00 0.00 H new ATOM 607 N ALA A 43 -12.161 -2.862 4.243 1.00 0.00 N ATOM 608 CA ALA A 43 -11.896 -2.998 2.823 1.00 0.00 C ATOM 609 C ALA A 43 -12.640 -4.203 2.251 1.00 0.00 C ATOM 610 O ALA A 43 -12.970 -4.232 1.081 1.00 0.00 O ATOM 611 CB ALA A 43 -10.413 -3.125 2.582 1.00 0.00 C ATOM 0 H ALA A 43 -11.332 -2.954 4.830 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.256 -2.104 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.225 -3.227 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.906 -2.236 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.034 -4.005 3.102 1.00 0.00 H new ATOM 617 N GLN A 44 -12.917 -5.172 3.111 1.00 0.00 N ATOM 618 CA GLN A 44 -13.662 -6.373 2.765 1.00 0.00 C ATOM 619 C GLN A 44 -15.098 -5.976 2.332 1.00 0.00 C ATOM 620 O GLN A 44 -15.715 -6.631 1.491 1.00 0.00 O ATOM 621 CB GLN A 44 -13.732 -7.285 3.990 1.00 0.00 C ATOM 622 CG GLN A 44 -13.753 -8.767 3.685 1.00 0.00 C ATOM 623 CD GLN A 44 -12.391 -9.420 3.937 1.00 0.00 C ATOM 624 OE1 GLN A 44 -12.308 -10.593 4.273 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.319 -8.673 3.799 1.00 0.00 N ATOM 0 H GLN A 44 -12.624 -5.145 4.088 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.167 -6.895 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.876 -7.074 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.627 -7.034 4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.509 -9.254 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.042 -8.920 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.410 -7.697 3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.395 -9.069 3.973 1.00 0.00 H new ATOM 634 N GLU A 45 -15.600 -4.884 2.912 1.00 0.00 N ATOM 635 CA GLU A 45 -16.906 -4.337 2.562 1.00 0.00 C ATOM 636 C GLU A 45 -16.771 -3.570 1.272 1.00 0.00 C ATOM 637 O GLU A 45 -17.518 -3.777 0.307 1.00 0.00 O ATOM 638 CB GLU A 45 -17.368 -3.327 3.613 1.00 0.00 C ATOM 639 CG GLU A 45 -17.511 -3.858 5.024 1.00 0.00 C ATOM 640 CD GLU A 45 -18.538 -4.946 5.124 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.718 -4.717 4.760 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.185 -6.063 5.557 1.00 0.00 O ATOM 0 H GLU A 45 -15.111 -4.357 3.636 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.615 -5.162 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.660 -2.498 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.329 -2.920 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.548 -4.238 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.785 -3.041 5.691 1.00 0.00 H new ATOM 649 N VAL A 46 -15.782 -2.690 1.277 1.00 0.00 N ATOM 650 CA VAL A 46 -15.505 -1.760 0.198 1.00 0.00 C ATOM 651 C VAL A 46 -15.240 -2.491 -1.123 1.00 0.00 C ATOM 652 O VAL A 46 -15.648 -2.032 -2.183 1.00 0.00 O ATOM 653 CB VAL A 46 -14.299 -0.837 0.562 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.062 0.202 -0.505 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.518 -0.150 1.906 1.00 0.00 C ATOM 0 H VAL A 46 -15.131 -2.602 2.057 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.392 -1.141 0.063 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.417 -1.474 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.216 0.828 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.846 -0.292 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.952 0.822 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.662 0.486 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.421 0.459 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.627 -0.903 2.686 1.00 0.00 H new ATOM 665 N MET A 47 -14.609 -3.649 -1.042 1.00 0.00 N ATOM 666 CA MET A 47 -14.282 -4.438 -2.225 1.00 0.00 C ATOM 667 C MET A 47 -15.534 -4.926 -2.956 1.00 0.00 C ATOM 668 O MET A 47 -15.519 -5.126 -4.167 1.00 0.00 O ATOM 669 CB MET A 47 -13.289 -5.600 -1.895 1.00 0.00 C ATOM 670 CG MET A 47 -13.807 -6.732 -1.007 1.00 0.00 C ATOM 671 SD MET A 47 -14.882 -7.912 -1.861 1.00 0.00 S ATOM 672 CE MET A 47 -13.719 -8.641 -3.021 1.00 0.00 C ATOM 0 H MET A 47 -14.309 -4.070 -0.163 1.00 0.00 H new ATOM 0 HA MET A 47 -13.763 -3.775 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.954 -6.036 -2.836 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.412 -5.168 -1.414 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.956 -7.270 -0.589 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.354 -6.300 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.067 -9.632 -3.311 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.644 -8.010 -3.906 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.739 -8.724 -2.550 1.00 0.00 H new ATOM 682 N ALA A 48 -16.623 -5.078 -2.228 1.00 0.00 N ATOM 683 CA ALA A 48 -17.869 -5.518 -2.821 1.00 0.00 C ATOM 684 C ALA A 48 -18.717 -4.315 -3.204 1.00 0.00 C ATOM 685 O ALA A 48 -19.671 -4.422 -3.977 1.00 0.00 O ATOM 686 CB ALA A 48 -18.617 -6.415 -1.853 1.00 0.00 C ATOM 0 H ALA A 48 -16.669 -4.903 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.653 -6.089 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.553 -6.741 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.005 -7.286 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.831 -5.864 -0.937 1.00 0.00 H new ATOM 692 N ALA A 49 -18.345 -3.168 -2.680 1.00 0.00 N ATOM 693 CA ALA A 49 -19.072 -1.948 -2.922 1.00 0.00 C ATOM 694 C ALA A 49 -18.532 -1.237 -4.151 1.00 0.00 C ATOM 695 O ALA A 49 -19.288 -0.886 -5.060 1.00 0.00 O ATOM 696 CB ALA A 49 -19.007 -1.037 -1.702 1.00 0.00 C ATOM 0 H ALA A 49 -17.531 -3.058 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.116 -2.201 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.561 -0.120 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.446 -1.546 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.967 -0.792 -1.486 1.00 0.00 H new ATOM 702 N ALA A 50 -17.232 -1.083 -4.218 1.00 0.00 N ATOM 703 CA ALA A 50 -16.617 -0.379 -5.257 1.00 0.00 C ATOM 704 C ALA A 50 -15.483 -1.217 -5.777 1.00 0.00 C ATOM 705 O ALA A 50 -14.453 -1.354 -5.108 1.00 0.00 O ATOM 706 CB ALA A 50 -16.101 0.939 -4.721 1.00 0.00 C ATOM 0 H ALA A 50 -16.582 -1.459 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.321 -0.174 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.619 1.495 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.933 1.521 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.379 0.751 -3.927 1.00 0.00 H new ATOM 712 N PRO A 51 -15.659 -1.852 -6.935 1.00 0.00 N ATOM 713 CA PRO A 51 -14.619 -2.656 -7.533 1.00 0.00 C ATOM 714 C PRO A 51 -13.493 -1.802 -8.137 1.00 0.00 C ATOM 715 O PRO A 51 -13.317 -1.711 -9.353 1.00 0.00 O ATOM 716 CB PRO A 51 -15.344 -3.488 -8.586 1.00 0.00 C ATOM 717 CG PRO A 51 -16.556 -2.700 -8.940 1.00 0.00 C ATOM 718 CD PRO A 51 -16.905 -1.874 -7.730 1.00 0.00 C ATOM 0 HA PRO A 51 -14.110 -3.279 -6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.713 -3.654 -9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.613 -4.470 -8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.364 -2.061 -9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.381 -3.359 -9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.216 -0.868 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.728 -2.317 -7.169 1.00 0.00 H new ATOM 726 N LEU A 52 -12.812 -1.117 -7.270 1.00 0.00 N ATOM 727 CA LEU A 52 -11.637 -0.364 -7.599 1.00 0.00 C ATOM 728 C LEU A 52 -10.429 -1.106 -7.081 1.00 0.00 C ATOM 729 O LEU A 52 -10.565 -1.990 -6.261 1.00 0.00 O ATOM 730 CB LEU A 52 -11.734 1.082 -7.050 1.00 0.00 C ATOM 731 CG LEU A 52 -12.388 1.262 -5.663 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.453 0.903 -4.521 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.972 2.653 -5.498 1.00 0.00 C ATOM 0 H LEU A 52 -13.065 -1.064 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.542 -0.266 -8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.727 1.496 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.294 1.681 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.213 0.551 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.967 1.049 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.150 -0.140 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.571 1.542 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.424 2.743 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.180 3.395 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.732 2.821 -6.261 1.00 0.00 H new ATOM 745 N GLN A 53 -9.281 -0.778 -7.572 1.00 0.00 N ATOM 746 CA GLN A 53 -8.078 -1.448 -7.194 1.00 0.00 C ATOM 747 C GLN A 53 -7.544 -0.892 -5.838 1.00 0.00 C ATOM 748 O GLN A 53 -7.770 0.264 -5.515 1.00 0.00 O ATOM 749 CB GLN A 53 -7.105 -1.265 -8.340 1.00 0.00 C ATOM 750 CG GLN A 53 -6.404 -2.513 -8.733 1.00 0.00 C ATOM 751 CD GLN A 53 -5.433 -2.953 -7.695 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.219 -4.131 -7.493 1.00 0.00 O ATOM 753 NE2 GLN A 53 -4.778 -1.994 -7.067 1.00 0.00 N ATOM 0 H GLN A 53 -9.148 -0.031 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.238 -2.513 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.644 -0.874 -9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.365 -0.516 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.136 -3.302 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.881 -2.354 -9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.989 -1.016 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.060 -2.231 -6.382 1.00 0.00 H new ATOM 762 N TYR A 54 -6.828 -1.713 -5.069 1.00 0.00 N ATOM 763 CA TYR A 54 -6.391 -1.341 -3.716 1.00 0.00 C ATOM 764 C TYR A 54 -4.855 -1.344 -3.633 1.00 0.00 C ATOM 765 O TYR A 54 -4.180 -2.123 -4.336 1.00 0.00 O ATOM 766 CB TYR A 54 -6.948 -2.373 -2.703 1.00 0.00 C ATOM 767 CG TYR A 54 -8.341 -2.842 -3.052 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.467 -2.104 -2.716 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.514 -4.009 -3.786 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.725 -2.525 -3.099 1.00 0.00 C ATOM 771 CE2 TYR A 54 -9.755 -4.420 -4.183 1.00 0.00 C ATOM 772 CZ TYR A 54 -10.855 -3.685 -3.839 1.00 0.00 C ATOM 773 OH TYR A 54 -12.093 -4.084 -4.279 1.00 0.00 O ATOM 0 H TYR A 54 -6.535 -2.646 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.762 -0.342 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.279 -3.233 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.958 -1.929 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.358 -1.191 -2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.651 -4.603 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.599 -1.953 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.866 -5.322 -4.766 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.007 -4.919 -4.785 1.00 0.00 H new ATOM 783 N VAL A 55 -4.313 -0.487 -2.802 1.00 0.00 N ATOM 784 CA VAL A 55 -2.882 -0.426 -2.566 1.00 0.00 C ATOM 785 C VAL A 55 -2.659 -0.355 -1.061 1.00 0.00 C ATOM 786 O VAL A 55 -3.562 0.051 -0.334 1.00 0.00 O ATOM 787 CB VAL A 55 -2.210 0.795 -3.278 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.678 2.123 -2.701 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.693 0.682 -3.238 1.00 0.00 C ATOM 0 H VAL A 55 -4.851 0.193 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.416 -1.317 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.525 0.773 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.185 2.942 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.758 2.212 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.427 2.168 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.251 1.543 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.357 0.654 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.383 -0.232 -3.745 1.00 0.00 H new ATOM 799 N GLY A 56 -1.515 -0.795 -0.601 1.00 0.00 N ATOM 800 CA GLY A 56 -1.239 -0.758 0.802 1.00 0.00 C ATOM 801 C GLY A 56 0.089 -0.132 1.127 1.00 0.00 C ATOM 802 O GLY A 56 1.045 -0.332 0.417 1.00 0.00 O ATOM 0 H GLY A 56 -0.767 -1.180 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.029 -0.202 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.261 -1.774 1.197 1.00 0.00 H new ATOM 806 N VAL A 57 0.145 0.632 2.201 1.00 0.00 N ATOM 807 CA VAL A 57 1.384 1.269 2.640 1.00 0.00 C ATOM 808 C VAL A 57 1.500 1.111 4.149 1.00 0.00 C ATOM 809 O VAL A 57 0.544 1.409 4.868 1.00 0.00 O ATOM 810 CB VAL A 57 1.419 2.809 2.331 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.779 3.419 2.647 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.981 3.143 0.908 1.00 0.00 C ATOM 0 H VAL A 57 -0.660 0.832 2.795 1.00 0.00 H new ATOM 0 HA VAL A 57 2.201 0.789 2.101 1.00 0.00 H new ATOM 0 HB VAL A 57 0.685 3.263 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.761 4.485 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.005 3.277 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.545 2.932 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.027 4.221 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.644 2.648 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.041 2.798 0.751 1.00 0.00 H new ATOM 822 N PHE A 58 2.614 0.584 4.608 1.00 0.00 N ATOM 823 CA PHE A 58 2.932 0.496 6.037 1.00 0.00 C ATOM 824 C PHE A 58 4.343 0.000 6.179 1.00 0.00 C ATOM 825 O PHE A 58 4.982 -0.303 5.163 1.00 0.00 O ATOM 826 CB PHE A 58 1.905 -0.360 6.870 1.00 0.00 C ATOM 827 CG PHE A 58 1.757 -1.837 6.536 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.166 -2.254 5.351 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.160 -2.805 7.449 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.987 -3.601 5.081 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.989 -4.154 7.181 1.00 0.00 C ATOM 832 CZ PHE A 58 1.400 -4.552 5.996 1.00 0.00 C ATOM 0 H PHE A 58 3.339 0.198 4.003 1.00 0.00 H new ATOM 0 HA PHE A 58 2.846 1.494 6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.184 -0.283 7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.924 0.104 6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.841 -1.518 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.613 -2.501 8.381 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.524 -3.909 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.316 -4.893 7.897 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.263 -5.602 5.785 1.00 0.00 H new ATOM 842 N ARG A 59 4.881 -0.036 7.381 1.00 0.00 N ATOM 843 CA ARG A 59 6.194 -0.591 7.518 1.00 0.00 C ATOM 844 C ARG A 59 6.030 -2.078 7.716 1.00 0.00 C ATOM 845 O ARG A 59 5.355 -2.533 8.651 1.00 0.00 O ATOM 846 CB ARG A 59 7.055 0.085 8.619 1.00 0.00 C ATOM 847 CG ARG A 59 6.702 -0.231 10.061 1.00 0.00 C ATOM 848 CD ARG A 59 7.640 0.490 11.010 1.00 0.00 C ATOM 849 NE ARG A 59 7.549 -0.020 12.376 1.00 0.00 N ATOM 850 CZ ARG A 59 7.566 0.718 13.489 1.00 0.00 C ATOM 851 NH1 ARG A 59 7.502 2.051 13.421 1.00 0.00 N ATOM 852 NH2 ARG A 59 7.635 0.114 14.669 1.00 0.00 N ATOM 0 H ARG A 59 4.444 0.300 8.240 1.00 0.00 H new ATOM 0 HA ARG A 59 6.767 -0.393 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.095 -0.196 8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.991 1.165 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.673 0.066 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.762 -1.306 10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.665 0.385 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.408 1.555 11.006 1.00 0.00 H new ATOM 0 HE ARG A 59 7.465 -1.030 12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.440 2.513 12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.516 2.607 14.276 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.674 -0.904 14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.649 0.668 15.525 1.00 0.00 H new ATOM 866 N ASN A 60 6.593 -2.826 6.832 1.00 0.00 N ATOM 867 CA ASN A 60 6.369 -4.206 6.802 1.00 0.00 C ATOM 868 C ASN A 60 7.452 -4.883 7.533 1.00 0.00 C ATOM 869 O ASN A 60 8.624 -4.752 7.204 1.00 0.00 O ATOM 870 CB ASN A 60 6.293 -4.724 5.354 1.00 0.00 C ATOM 871 CG ASN A 60 5.213 -4.035 4.524 1.00 0.00 C ATOM 872 OD1 ASN A 60 4.233 -3.564 5.037 1.00 0.00 O ATOM 873 ND2 ASN A 60 5.379 -4.007 3.235 1.00 0.00 N ATOM 0 H ASN A 60 7.225 -2.482 6.109 1.00 0.00 H new ATOM 0 HA ASN A 60 5.413 -4.421 7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.260 -4.579 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.102 -5.797 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.670 -3.580 2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.218 -4.412 2.820 1.00 0.00 H new ATOM 880 N HIS A 61 7.063 -5.521 8.555 1.00 0.00 N ATOM 881 CA HIS A 61 7.958 -6.338 9.346 1.00 0.00 C ATOM 882 C HIS A 61 7.748 -7.767 8.906 1.00 0.00 C ATOM 883 O HIS A 61 8.651 -8.431 8.397 1.00 0.00 O ATOM 884 CB HIS A 61 7.618 -6.276 10.852 1.00 0.00 C ATOM 885 CG HIS A 61 7.287 -4.927 11.405 1.00 0.00 C ATOM 886 ND1 HIS A 61 6.005 -4.553 11.740 1.00 0.00 N ATOM 887 CD2 HIS A 61 8.080 -3.882 11.727 1.00 0.00 C ATOM 888 CE1 HIS A 61 6.047 -3.327 12.243 1.00 0.00 C ATOM 889 NE2 HIS A 61 7.288 -2.864 12.261 1.00 0.00 N ATOM 0 H HIS A 61 6.102 -5.509 8.895 1.00 0.00 H new ATOM 0 HA HIS A 61 8.978 -5.981 9.203 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.773 -6.938 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.465 -6.675 11.410 1.00 0.00 H new ATOM 0 HD1 HIS A 61 5.167 -5.122 11.622 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.151 -3.841 11.593 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.184 -2.779 12.592 1.00 0.00 H new ATOM 897 N ASP A 62 6.507 -8.211 9.054 1.00 0.00 N ATOM 898 CA ASP A 62 6.111 -9.578 8.770 1.00 0.00 C ATOM 899 C ASP A 62 5.650 -9.730 7.353 1.00 0.00 C ATOM 900 O ASP A 62 4.613 -9.187 6.964 1.00 0.00 O ATOM 901 CB ASP A 62 4.986 -10.040 9.712 1.00 0.00 C ATOM 902 CG ASP A 62 5.412 -10.131 11.148 1.00 0.00 C ATOM 903 OD1 ASP A 62 5.919 -11.190 11.557 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.246 -9.145 11.896 1.00 0.00 O ATOM 0 H ASP A 62 5.740 -7.622 9.379 1.00 0.00 H new ATOM 0 HA ASP A 62 6.992 -10.199 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.148 -9.348 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.626 -11.015 9.385 1.00 0.00 H new ATOM 909 N ILE A 63 6.398 -10.487 6.582 1.00 0.00 N ATOM 910 CA ILE A 63 6.058 -10.747 5.201 1.00 0.00 C ATOM 911 C ILE A 63 4.768 -11.560 5.100 1.00 0.00 C ATOM 912 O ILE A 63 3.975 -11.357 4.192 1.00 0.00 O ATOM 913 CB ILE A 63 7.231 -11.438 4.444 1.00 0.00 C ATOM 914 CG1 ILE A 63 6.886 -11.652 2.967 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.599 -12.767 5.106 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.081 -11.945 2.105 1.00 0.00 C ATOM 0 H ILE A 63 7.258 -10.939 6.894 1.00 0.00 H new ATOM 0 HA ILE A 63 5.884 -9.787 4.715 1.00 0.00 H new ATOM 0 HB ILE A 63 8.095 -10.776 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.178 -12.477 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.384 -10.762 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.420 -13.231 4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.904 -12.588 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.735 -13.431 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.760 -12.085 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.781 -11.111 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.571 -12.852 2.459 1.00 0.00 H new ATOM 928 N ALA A 64 4.519 -12.393 6.100 1.00 0.00 N ATOM 929 CA ALA A 64 3.347 -13.247 6.123 1.00 0.00 C ATOM 930 C ALA A 64 2.084 -12.418 6.278 1.00 0.00 C ATOM 931 O ALA A 64 1.017 -12.806 5.821 1.00 0.00 O ATOM 932 CB ALA A 64 3.461 -14.262 7.251 1.00 0.00 C ATOM 0 H ALA A 64 5.124 -12.494 6.915 1.00 0.00 H new ATOM 0 HA ALA A 64 3.288 -13.783 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.576 -14.898 7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.348 -14.877 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.541 -13.739 8.204 1.00 0.00 H new ATOM 938 N ASP A 65 2.242 -11.238 6.847 1.00 0.00 N ATOM 939 CA ASP A 65 1.114 -10.356 7.114 1.00 0.00 C ATOM 940 C ASP A 65 0.781 -9.636 5.839 1.00 0.00 C ATOM 941 O ASP A 65 -0.389 -9.488 5.465 1.00 0.00 O ATOM 942 CB ASP A 65 1.482 -9.335 8.190 1.00 0.00 C ATOM 943 CG ASP A 65 0.281 -8.536 8.711 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.377 -7.796 7.951 1.00 0.00 O ATOM 945 OD2 ASP A 65 -0.009 -8.614 9.912 1.00 0.00 O ATOM 0 H ASP A 65 3.146 -10.863 7.136 1.00 0.00 H new ATOM 0 HA ASP A 65 0.262 -10.938 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.954 -9.853 9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.221 -8.643 7.786 1.00 0.00 H new ATOM 950 N VAL A 66 1.836 -9.221 5.150 1.00 0.00 N ATOM 951 CA VAL A 66 1.719 -8.549 3.876 1.00 0.00 C ATOM 952 C VAL A 66 1.078 -9.494 2.878 1.00 0.00 C ATOM 953 O VAL A 66 0.128 -9.120 2.193 1.00 0.00 O ATOM 954 CB VAL A 66 3.101 -8.099 3.334 1.00 0.00 C ATOM 955 CG1 VAL A 66 2.949 -7.284 2.056 1.00 0.00 C ATOM 956 CG2 VAL A 66 3.858 -7.309 4.381 1.00 0.00 C ATOM 0 H VAL A 66 2.798 -9.345 5.466 1.00 0.00 H new ATOM 0 HA VAL A 66 1.106 -7.659 4.016 1.00 0.00 H new ATOM 0 HB VAL A 66 3.675 -8.995 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.933 -6.982 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.456 -7.889 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.349 -6.397 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.824 -7.004 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.283 -6.424 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.012 -7.929 5.264 1.00 0.00 H new ATOM 966 N VAL A 67 1.574 -10.740 2.845 1.00 0.00 N ATOM 967 CA VAL A 67 1.037 -11.771 1.949 1.00 0.00 C ATOM 968 C VAL A 67 -0.432 -12.002 2.260 1.00 0.00 C ATOM 969 O VAL A 67 -1.249 -12.113 1.352 1.00 0.00 O ATOM 970 CB VAL A 67 1.821 -13.123 2.043 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.195 -14.194 1.150 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.272 -12.928 1.647 1.00 0.00 C ATOM 0 H VAL A 67 2.347 -11.057 3.430 1.00 0.00 H new ATOM 0 HA VAL A 67 1.154 -11.406 0.929 1.00 0.00 H new ATOM 0 HB VAL A 67 1.768 -13.457 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.764 -15.120 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.165 -14.370 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.210 -13.857 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.800 -13.879 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.323 -12.561 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.737 -12.203 2.315 1.00 0.00 H new ATOM 982 N ASP A 68 -0.751 -12.024 3.548 1.00 0.00 N ATOM 983 CA ASP A 68 -2.120 -12.183 4.023 1.00 0.00 C ATOM 984 C ASP A 68 -3.029 -11.142 3.412 1.00 0.00 C ATOM 985 O ASP A 68 -3.927 -11.479 2.647 1.00 0.00 O ATOM 986 CB ASP A 68 -2.183 -12.099 5.561 1.00 0.00 C ATOM 987 CG ASP A 68 -3.597 -12.117 6.123 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.211 -13.204 6.187 1.00 0.00 O ATOM 989 OD2 ASP A 68 -4.096 -11.046 6.565 1.00 0.00 O ATOM 0 H ASP A 68 -0.064 -11.932 4.296 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.463 -13.170 3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.624 -12.934 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.685 -11.185 5.886 1.00 0.00 H new ATOM 994 N LYS A 69 -2.733 -9.885 3.672 1.00 0.00 N ATOM 995 CA LYS A 69 -3.582 -8.776 3.229 1.00 0.00 C ATOM 996 C LYS A 69 -3.642 -8.701 1.720 1.00 0.00 C ATOM 997 O LYS A 69 -4.737 -8.618 1.137 1.00 0.00 O ATOM 998 CB LYS A 69 -3.070 -7.441 3.778 1.00 0.00 C ATOM 999 CG LYS A 69 -2.862 -7.419 5.276 1.00 0.00 C ATOM 1000 CD LYS A 69 -4.131 -7.755 6.016 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.896 -7.821 7.502 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.880 -8.837 7.855 1.00 0.00 N ATOM 0 H LYS A 69 -1.905 -9.595 4.192 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.584 -8.964 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.126 -7.199 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.778 -6.657 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.083 -8.131 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.512 -6.433 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.891 -7.004 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.518 -8.711 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.573 -6.844 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.833 -8.054 8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.868 -8.972 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.114 -9.738 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.943 -8.516 7.537 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.472 -8.772 1.097 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.329 -8.667 -0.337 1.00 0.00 C ATOM 1018 C ALA A 70 -3.091 -9.760 -1.062 1.00 0.00 C ATOM 1019 O ALA A 70 -3.533 -9.566 -2.176 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.866 -8.680 -0.726 1.00 0.00 C ATOM 0 H ALA A 70 -1.588 -8.906 1.587 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.763 -7.715 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.777 -8.600 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.357 -7.838 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.409 -9.612 -0.392 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.224 -10.893 -0.426 1.00 0.00 N ATOM 1027 CA LYS A 71 -3.978 -11.998 -0.957 1.00 0.00 C ATOM 1028 C LYS A 71 -5.476 -11.854 -0.649 1.00 0.00 C ATOM 1029 O LYS A 71 -6.300 -11.854 -1.559 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.437 -13.290 -0.380 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.270 -14.510 -0.670 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.663 -15.756 -0.039 1.00 0.00 C ATOM 1033 CE LYS A 71 -3.471 -15.636 1.479 1.00 0.00 C ATOM 1034 NZ LYS A 71 -4.744 -15.477 2.213 1.00 0.00 N ATOM 0 H LYS A 71 -2.807 -11.077 0.486 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.870 -12.008 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.432 -13.453 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.346 -13.179 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.281 -14.362 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.353 -14.649 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.305 -16.611 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.699 -15.958 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.956 -16.524 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.827 -14.783 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.550 -15.401 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.227 -14.615 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.352 -16.302 2.037 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.809 -11.739 0.646 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.216 -11.632 1.114 1.00 0.00 C ATOM 1050 C VAL A 72 -7.988 -10.541 0.375 1.00 0.00 C ATOM 1051 O VAL A 72 -9.005 -10.817 -0.264 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.328 -11.377 2.655 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.786 -11.266 3.090 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.646 -12.474 3.441 1.00 0.00 C ATOM 0 H VAL A 72 -5.122 -11.717 1.400 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.661 -12.602 0.891 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.826 -10.432 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.833 -11.089 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.260 -10.437 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.308 -12.193 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.740 -12.270 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.115 -13.431 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.591 -12.513 3.171 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.514 -9.315 0.447 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.185 -8.233 -0.221 1.00 0.00 C ATOM 1066 C LEU A 73 -7.812 -8.193 -1.713 1.00 0.00 C ATOM 1067 O LEU A 73 -8.555 -7.645 -2.529 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.816 -6.930 0.471 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.469 -5.665 -0.050 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.973 -5.728 0.146 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.872 -4.457 0.644 1.00 0.00 C ATOM 0 H LEU A 73 -6.673 -9.049 0.959 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.263 -8.381 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.061 -7.027 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.735 -6.805 0.405 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.278 -5.574 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.428 -4.813 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.375 -6.584 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.198 -5.832 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.344 -3.550 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.041 -4.534 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.801 -4.417 0.447 1.00 0.00 H new ATOM 1083 N SER A 74 -6.696 -8.836 -2.047 1.00 0.00 N ATOM 1084 CA SER A 74 -6.126 -8.844 -3.389 1.00 0.00 C ATOM 1085 C SER A 74 -5.757 -7.426 -3.845 1.00 0.00 C ATOM 1086 O SER A 74 -6.503 -6.757 -4.570 1.00 0.00 O ATOM 1087 CB SER A 74 -7.012 -9.596 -4.413 1.00 0.00 C ATOM 1088 OG SER A 74 -6.389 -9.682 -5.690 1.00 0.00 O ATOM 0 H SER A 74 -6.151 -9.378 -1.376 1.00 0.00 H new ATOM 0 HA SER A 74 -5.198 -9.414 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.223 -10.600 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.970 -9.084 -4.510 1.00 0.00 H new ATOM 0 HG SER A 74 -6.977 -10.164 -6.309 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.636 -6.959 -3.328 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.081 -5.682 -3.613 1.00 0.00 C ATOM 1096 C LEU A 75 -3.361 -5.689 -4.967 1.00 0.00 C ATOM 1097 O LEU A 75 -3.480 -6.634 -5.761 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.041 -5.426 -2.541 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.488 -5.083 -1.119 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -3.739 -3.618 -0.950 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.691 -5.849 -0.619 1.00 0.00 C ATOM 0 H LEU A 75 -4.074 -7.498 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.867 -4.928 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.411 -6.314 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.408 -4.610 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.642 -5.396 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.054 -3.419 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.824 -3.065 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.522 -3.301 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.927 -5.533 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.544 -5.651 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.471 -6.917 -0.625 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.607 -4.648 -5.206 1.00 0.00 N ATOM 1114 CA ALA A 76 -1.734 -4.580 -6.312 1.00 0.00 C ATOM 1115 C ALA A 76 -0.449 -4.224 -5.735 1.00 0.00 C ATOM 1116 O ALA A 76 0.333 -5.032 -5.503 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.127 -3.551 -7.348 1.00 0.00 C ATOM 0 H ALA A 76 -2.594 -3.816 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.740 -5.529 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.405 -3.563 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.118 -3.786 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.142 -2.562 -6.891 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.292 -3.022 -5.357 1.00 0.00 N ATOM 1124 CA ALA A 77 0.947 -2.647 -4.841 1.00 0.00 C ATOM 1125 C ALA A 77 0.913 -2.513 -3.357 1.00 0.00 C ATOM 1126 O ALA A 77 -0.152 -2.354 -2.746 1.00 0.00 O ATOM 1127 CB ALA A 77 1.415 -1.412 -5.484 1.00 0.00 C ATOM 0 H ALA A 77 -1.000 -2.289 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 77 1.659 -3.441 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.384 -1.131 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.512 -1.575 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.697 -0.612 -5.301 1.00 0.00 H new ATOM 1133 N VAL A 78 2.054 -2.610 -2.791 1.00 0.00 N ATOM 1134 CA VAL A 78 2.254 -2.432 -1.384 1.00 0.00 C ATOM 1135 C VAL A 78 3.551 -1.649 -1.225 1.00 0.00 C ATOM 1136 O VAL A 78 4.498 -1.840 -2.003 1.00 0.00 O ATOM 1137 CB VAL A 78 2.354 -3.789 -0.635 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.497 -4.628 -1.206 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.538 -3.577 0.865 1.00 0.00 C ATOM 0 H VAL A 78 2.911 -2.822 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 78 1.405 -1.903 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 78 1.419 -4.329 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.555 -5.576 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.315 -4.819 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.437 -4.089 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.605 -4.544 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.453 -3.013 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.687 -3.023 1.261 1.00 0.00 H new ATOM 1149 N GLN A 79 3.574 -0.716 -0.337 1.00 0.00 N ATOM 1150 CA GLN A 79 4.686 0.106 -0.176 1.00 0.00 C ATOM 1151 C GLN A 79 5.562 -0.343 0.928 1.00 0.00 C ATOM 1152 O GLN A 79 5.106 -0.665 2.019 1.00 0.00 O ATOM 1153 CB GLN A 79 4.265 1.533 -0.024 1.00 0.00 C ATOM 1154 CG GLN A 79 4.030 2.245 -1.338 1.00 0.00 C ATOM 1155 CD GLN A 79 2.865 1.693 -2.140 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.763 2.162 -2.021 1.00 0.00 O ATOM 1157 NE2 GLN A 79 3.101 0.658 -2.929 1.00 0.00 N ATOM 0 H GLN A 79 2.802 -0.513 0.298 1.00 0.00 H new ATOM 0 HA GLN A 79 5.289 0.032 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.350 1.571 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.030 2.070 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.853 3.302 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.936 2.181 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.046 0.283 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.338 0.235 -3.457 1.00 0.00 H new ATOM 1166 N LEU A 80 6.816 -0.388 0.622 1.00 0.00 N ATOM 1167 CA LEU A 80 7.811 -0.837 1.529 1.00 0.00 C ATOM 1168 C LEU A 80 8.622 0.303 2.071 1.00 0.00 C ATOM 1169 O LEU A 80 9.293 1.019 1.310 1.00 0.00 O ATOM 1170 CB LEU A 80 8.754 -1.851 0.842 1.00 0.00 C ATOM 1171 CG LEU A 80 8.379 -3.344 0.901 1.00 0.00 C ATOM 1172 CD1 LEU A 80 8.517 -3.859 2.320 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.971 -3.598 0.374 1.00 0.00 C ATOM 0 H LEU A 80 7.182 -0.106 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 80 7.295 -1.320 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.839 -1.570 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.744 -1.738 1.283 1.00 0.00 H new ATOM 0 HG LEU A 80 9.069 -3.886 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.250 -4.915 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.547 -3.735 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.853 -3.297 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.747 -4.663 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.252 -3.042 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.906 -3.271 -0.664 1.00 0.00 H new ATOM 1185 N HIS A 81 8.518 0.524 3.361 1.00 0.00 N ATOM 1186 CA HIS A 81 9.464 1.380 4.017 1.00 0.00 C ATOM 1187 C HIS A 81 10.671 0.507 4.273 1.00 0.00 C ATOM 1188 O HIS A 81 10.692 -0.294 5.211 1.00 0.00 O ATOM 1189 CB HIS A 81 8.933 2.003 5.325 1.00 0.00 C ATOM 1190 CG HIS A 81 7.817 3.000 5.142 1.00 0.00 C ATOM 1191 ND1 HIS A 81 8.008 4.363 4.944 1.00 0.00 N ATOM 1192 CD2 HIS A 81 6.475 2.817 5.154 1.00 0.00 C ATOM 1193 CE1 HIS A 81 6.815 4.937 4.851 1.00 0.00 C ATOM 1194 NE2 HIS A 81 5.842 4.044 4.972 1.00 0.00 N ATOM 0 H HIS A 81 7.798 0.127 3.965 1.00 0.00 H new ATOM 0 HA HIS A 81 9.693 2.242 3.391 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.583 1.202 5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.759 2.494 5.839 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.975 1.869 5.284 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.657 5.994 4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.838 4.220 4.939 1.00 0.00 H new ATOM 1202 N GLY A 82 11.626 0.624 3.380 1.00 0.00 N ATOM 1203 CA GLY A 82 12.806 -0.239 3.306 1.00 0.00 C ATOM 1204 C GLY A 82 13.669 -0.372 4.551 1.00 0.00 C ATOM 1205 O GLY A 82 14.542 -1.231 4.593 1.00 0.00 O ATOM 0 H GLY A 82 11.613 1.343 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.473 -1.237 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.439 0.128 2.498 1.00 0.00 H new ATOM 1209 N ASN A 83 13.432 0.477 5.528 1.00 0.00 N ATOM 1210 CA ASN A 83 14.187 0.555 6.803 1.00 0.00 C ATOM 1211 C ASN A 83 14.517 -0.826 7.447 1.00 0.00 C ATOM 1212 O ASN A 83 15.548 -0.969 8.121 1.00 0.00 O ATOM 1213 CB ASN A 83 13.393 1.428 7.804 1.00 0.00 C ATOM 1214 CG ASN A 83 14.078 1.597 9.156 1.00 0.00 C ATOM 1215 OD1 ASN A 83 14.893 2.494 9.338 1.00 0.00 O ATOM 1216 ND2 ASN A 83 13.739 0.769 10.117 1.00 0.00 N ATOM 0 H ASN A 83 12.683 1.167 5.474 1.00 0.00 H new ATOM 0 HA ASN A 83 15.152 1.001 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.232 2.412 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.410 0.983 7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.157 0.864 11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.058 0.031 9.938 1.00 0.00 H new ATOM 1223 N GLU A 84 13.668 -1.824 7.221 1.00 0.00 N ATOM 1224 CA GLU A 84 13.841 -3.137 7.833 1.00 0.00 C ATOM 1225 C GLU A 84 15.109 -3.864 7.316 1.00 0.00 C ATOM 1226 O GLU A 84 15.943 -4.301 8.117 1.00 0.00 O ATOM 1227 CB GLU A 84 12.579 -3.988 7.601 1.00 0.00 C ATOM 1228 CG GLU A 84 12.580 -5.325 8.325 1.00 0.00 C ATOM 1229 CD GLU A 84 12.723 -5.165 9.820 1.00 0.00 C ATOM 1230 OE1 GLU A 84 11.709 -5.041 10.522 1.00 0.00 O ATOM 1231 OE2 GLU A 84 13.860 -5.158 10.318 1.00 0.00 O ATOM 0 H GLU A 84 12.850 -1.748 6.616 1.00 0.00 H new ATOM 0 HA GLU A 84 13.984 -2.993 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.707 -3.417 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.469 -4.168 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.654 -5.856 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.397 -5.940 7.947 1.00 0.00 H new ATOM 1238 N GLU A 85 15.288 -3.904 6.005 1.00 0.00 N ATOM 1239 CA GLU A 85 16.425 -4.565 5.366 1.00 0.00 C ATOM 1240 C GLU A 85 16.266 -4.340 3.871 1.00 0.00 C ATOM 1241 O GLU A 85 15.152 -4.165 3.411 1.00 0.00 O ATOM 1242 CB GLU A 85 16.400 -6.068 5.686 1.00 0.00 C ATOM 1243 CG GLU A 85 17.776 -6.699 5.843 1.00 0.00 C ATOM 1244 CD GLU A 85 18.561 -6.826 4.570 1.00 0.00 C ATOM 1245 OE1 GLU A 85 19.259 -5.869 4.181 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.492 -7.871 3.930 1.00 0.00 O ATOM 0 H GLU A 85 14.642 -3.474 5.343 1.00 0.00 H new ATOM 0 HA GLU A 85 17.374 -4.166 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.836 -6.222 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.864 -6.588 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.354 -6.105 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.658 -7.690 6.280 1.00 0.00 H new ATOM 1253 N GLN A 86 17.347 -4.356 3.118 1.00 0.00 N ATOM 1254 CA GLN A 86 17.311 -4.048 1.732 1.00 0.00 C ATOM 1255 C GLN A 86 16.794 -5.231 0.957 1.00 0.00 C ATOM 1256 O GLN A 86 15.883 -5.127 0.121 1.00 0.00 O ATOM 1257 CB GLN A 86 18.704 -3.686 1.223 1.00 0.00 C ATOM 1258 CG GLN A 86 19.347 -2.392 1.757 1.00 0.00 C ATOM 1259 CD GLN A 86 19.686 -2.433 3.236 1.00 0.00 C ATOM 1260 OE1 GLN A 86 20.757 -2.883 3.607 1.00 0.00 O ATOM 1261 NE2 GLN A 86 18.807 -1.942 4.073 1.00 0.00 N ATOM 0 H GLN A 86 18.276 -4.587 3.469 1.00 0.00 H new ATOM 0 HA GLN A 86 16.648 -3.195 1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.373 -4.514 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.656 -3.613 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 86 20.257 -2.191 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.668 -1.559 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 86 17.921 -1.574 3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 86 19.008 -1.927 5.073 1.00 0.00 H new ATOM 1270 N LEU A 87 17.334 -6.362 1.304 1.00 0.00 N ATOM 1271 CA LEU A 87 17.082 -7.610 0.631 1.00 0.00 C ATOM 1272 C LEU A 87 15.747 -8.179 1.034 1.00 0.00 C ATOM 1273 O LEU A 87 15.243 -9.104 0.418 1.00 0.00 O ATOM 1274 CB LEU A 87 18.207 -8.567 0.925 1.00 0.00 C ATOM 1275 CG LEU A 87 19.572 -8.061 0.493 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.661 -8.873 1.122 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.701 -8.087 -1.014 1.00 0.00 C ATOM 0 H LEU A 87 17.982 -6.448 2.087 1.00 0.00 H new ATOM 0 HA LEU A 87 17.041 -7.440 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.228 -8.771 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.006 -9.514 0.424 1.00 0.00 H new ATOM 0 HG LEU A 87 19.672 -7.029 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.631 -8.494 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.587 -8.803 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.560 -9.915 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.687 -7.720 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.575 -9.109 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.934 -7.451 -1.456 1.00 0.00 H new ATOM 1289 N TYR A 88 15.188 -7.629 2.092 1.00 0.00 N ATOM 1290 CA TYR A 88 13.855 -7.980 2.531 1.00 0.00 C ATOM 1291 C TYR A 88 12.831 -7.604 1.451 1.00 0.00 C ATOM 1292 O TYR A 88 11.893 -8.335 1.200 1.00 0.00 O ATOM 1293 CB TYR A 88 13.540 -7.300 3.867 1.00 0.00 C ATOM 1294 CG TYR A 88 12.102 -7.412 4.317 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.514 -8.649 4.572 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.331 -6.274 4.480 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.200 -8.741 4.972 1.00 0.00 C ATOM 1298 CE2 TYR A 88 10.017 -6.358 4.884 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.454 -7.595 5.127 1.00 0.00 C ATOM 1300 OH TYR A 88 8.145 -7.684 5.533 1.00 0.00 O ATOM 0 H TYR A 88 15.646 -6.926 2.672 1.00 0.00 H new ATOM 0 HA TYR A 88 13.799 -9.057 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.180 -7.731 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.800 -6.244 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.098 -9.550 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.767 -5.305 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.757 -9.707 5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.430 -5.460 5.010 1.00 0.00 H new ATOM 0 HH TYR A 88 8.063 -8.375 6.223 1.00 0.00 H new ATOM 1310 N ILE A 89 13.068 -6.498 0.763 1.00 0.00 N ATOM 1311 CA ILE A 89 12.174 -6.039 -0.313 1.00 0.00 C ATOM 1312 C ILE A 89 12.189 -7.048 -1.458 1.00 0.00 C ATOM 1313 O ILE A 89 11.162 -7.342 -2.087 1.00 0.00 O ATOM 1314 CB ILE A 89 12.555 -4.600 -0.824 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.141 -3.511 0.177 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.941 -4.300 -2.179 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.871 -3.531 1.482 1.00 0.00 C ATOM 0 H ILE A 89 13.873 -5.893 0.924 1.00 0.00 H new ATOM 0 HA ILE A 89 11.164 -5.970 0.091 1.00 0.00 H new ATOM 0 HB ILE A 89 13.640 -4.591 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.290 -2.537 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.074 -3.610 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.229 -3.297 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.298 -5.027 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.855 -4.360 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.505 -2.723 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.703 -4.487 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.938 -3.397 1.304 1.00 0.00 H new ATOM 1329 N ASP A 90 13.341 -7.647 -1.629 1.00 0.00 N ATOM 1330 CA ASP A 90 13.583 -8.660 -2.643 1.00 0.00 C ATOM 1331 C ASP A 90 12.844 -9.948 -2.278 1.00 0.00 C ATOM 1332 O ASP A 90 12.617 -10.799 -3.099 1.00 0.00 O ATOM 1333 CB ASP A 90 15.074 -8.929 -2.705 1.00 0.00 C ATOM 1334 CG ASP A 90 15.474 -9.891 -3.804 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.610 -9.462 -4.957 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.668 -11.099 -3.518 1.00 0.00 O ATOM 0 H ASP A 90 14.160 -7.444 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 90 13.223 -8.311 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.599 -7.985 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.402 -9.330 -1.746 1.00 0.00 H new ATOM 1341 N THR A 91 12.438 -10.015 -1.056 1.00 0.00 N ATOM 1342 CA THR A 91 11.781 -11.153 -0.479 1.00 0.00 C ATOM 1343 C THR A 91 10.267 -11.045 -0.675 1.00 0.00 C ATOM 1344 O THR A 91 9.617 -12.010 -1.074 1.00 0.00 O ATOM 1345 CB THR A 91 12.145 -11.243 1.015 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.564 -11.376 1.155 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.449 -12.386 1.685 1.00 0.00 C ATOM 0 H THR A 91 12.557 -9.246 -0.396 1.00 0.00 H new ATOM 0 HA THR A 91 12.115 -12.064 -0.976 1.00 0.00 H new ATOM 0 HB THR A 91 11.813 -10.326 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.000 -10.545 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.731 -12.417 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.370 -12.254 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.738 -13.320 1.204 1.00 0.00 H new ATOM 1355 N LEU A 92 9.722 -9.851 -0.380 1.00 0.00 N ATOM 1356 CA LEU A 92 8.292 -9.552 -0.558 1.00 0.00 C ATOM 1357 C LEU A 92 7.772 -10.048 -1.866 1.00 0.00 C ATOM 1358 O LEU A 92 6.878 -10.871 -1.902 1.00 0.00 O ATOM 1359 CB LEU A 92 7.949 -8.047 -0.434 1.00 0.00 C ATOM 1360 CG LEU A 92 7.800 -7.456 0.967 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.803 -8.231 1.763 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.092 -7.427 1.680 1.00 0.00 C ATOM 0 H LEU A 92 10.261 -9.067 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 92 7.805 -10.081 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.725 -7.484 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.016 -7.872 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 92 7.447 -6.431 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.712 -7.794 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.835 -8.200 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.133 -9.266 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.950 -7.001 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.479 -8.442 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.802 -6.817 1.122 1.00 0.00 H new ATOM 1374 N ARG A 93 8.389 -9.615 -2.931 1.00 0.00 N ATOM 1375 CA ARG A 93 7.912 -9.979 -4.280 1.00 0.00 C ATOM 1376 C ARG A 93 8.067 -11.452 -4.657 1.00 0.00 C ATOM 1377 O ARG A 93 7.593 -11.883 -5.698 1.00 0.00 O ATOM 1378 CB ARG A 93 8.408 -9.046 -5.378 1.00 0.00 C ATOM 1379 CG ARG A 93 9.700 -8.302 -5.112 1.00 0.00 C ATOM 1380 CD ARG A 93 10.876 -9.222 -5.061 1.00 0.00 C ATOM 1381 NE ARG A 93 11.093 -9.886 -6.355 1.00 0.00 N ATOM 1382 CZ ARG A 93 12.148 -10.631 -6.692 1.00 0.00 C ATOM 1383 NH1 ARG A 93 13.006 -11.033 -5.783 1.00 0.00 N ATOM 1384 NH2 ARG A 93 12.299 -11.016 -7.945 1.00 0.00 N ATOM 0 H ARG A 93 9.215 -9.016 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 93 6.835 -9.828 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.535 -9.631 -6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.628 -8.311 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.856 -7.557 -5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.620 -7.763 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.768 -8.660 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.719 -9.973 -4.287 1.00 0.00 H new ATOM 0 HE ARG A 93 10.368 -9.766 -7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.871 -10.776 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.808 -11.602 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.612 -10.744 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.103 -11.585 -8.210 1.00 0.00 H new ATOM 1398 N GLU A 94 8.712 -12.201 -3.818 1.00 0.00 N ATOM 1399 CA GLU A 94 8.838 -13.643 -4.029 1.00 0.00 C ATOM 1400 C GLU A 94 7.648 -14.343 -3.394 1.00 0.00 C ATOM 1401 O GLU A 94 7.139 -15.330 -3.913 1.00 0.00 O ATOM 1402 CB GLU A 94 10.116 -14.196 -3.402 1.00 0.00 C ATOM 1403 CG GLU A 94 11.366 -13.486 -3.836 1.00 0.00 C ATOM 1404 CD GLU A 94 12.625 -14.085 -3.244 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.831 -13.999 -2.007 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.452 -14.636 -4.007 1.00 0.00 O ATOM 0 H GLU A 94 9.167 -11.854 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 94 8.874 -13.823 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.033 -14.133 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.204 -15.253 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.434 -13.514 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.300 -12.437 -3.548 1.00 0.00 H new ATOM 1413 N ALA A 95 7.200 -13.802 -2.274 1.00 0.00 N ATOM 1414 CA ALA A 95 6.101 -14.396 -1.512 1.00 0.00 C ATOM 1415 C ALA A 95 4.741 -13.845 -1.906 1.00 0.00 C ATOM 1416 O ALA A 95 3.697 -14.429 -1.593 1.00 0.00 O ATOM 1417 CB ALA A 95 6.331 -14.242 -0.025 1.00 0.00 C ATOM 0 H ALA A 95 7.579 -12.948 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 95 6.091 -15.457 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.501 -14.691 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.260 -14.740 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.399 -13.183 0.225 1.00 0.00 H new ATOM 1423 N LEU A 96 4.764 -12.755 -2.579 1.00 0.00 N ATOM 1424 CA LEU A 96 3.563 -12.077 -3.023 1.00 0.00 C ATOM 1425 C LEU A 96 3.081 -12.634 -4.343 1.00 0.00 C ATOM 1426 O LEU A 96 3.887 -13.059 -5.183 1.00 0.00 O ATOM 1427 CB LEU A 96 3.808 -10.563 -3.087 1.00 0.00 C ATOM 1428 CG LEU A 96 4.054 -9.889 -1.723 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.452 -8.440 -1.892 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.823 -9.995 -0.841 1.00 0.00 C ATOM 0 H LEU A 96 5.627 -12.284 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 96 2.767 -12.255 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.668 -10.375 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.948 -10.090 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 96 4.877 -10.414 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.619 -7.992 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.369 -8.381 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.656 -7.902 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.019 -9.513 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.982 -9.503 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.583 -11.045 -0.676 1.00 0.00 H new ATOM 1442 N PRO A 97 1.750 -12.723 -4.518 1.00 0.00 N ATOM 1443 CA PRO A 97 1.150 -13.202 -5.752 1.00 0.00 C ATOM 1444 C PRO A 97 1.416 -12.238 -6.902 1.00 0.00 C ATOM 1445 O PRO A 97 1.782 -11.078 -6.678 1.00 0.00 O ATOM 1446 CB PRO A 97 -0.346 -13.278 -5.443 1.00 0.00 C ATOM 1447 CG PRO A 97 -0.553 -12.358 -4.302 1.00 0.00 C ATOM 1448 CD PRO A 97 0.724 -12.370 -3.512 1.00 0.00 C ATOM 0 HA PRO A 97 1.561 -14.162 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.942 -12.977 -6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.644 -14.295 -5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.784 -11.352 -4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.393 -12.683 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 97 0.924 -11.399 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.688 -13.099 -2.702 1.00 0.00 H new ATOM 1456 N ALA A 98 1.172 -12.701 -8.115 1.00 0.00 N ATOM 1457 CA ALA A 98 1.485 -11.956 -9.351 1.00 0.00 C ATOM 1458 C ALA A 98 0.678 -10.664 -9.480 1.00 0.00 C ATOM 1459 O ALA A 98 0.932 -9.845 -10.352 1.00 0.00 O ATOM 1460 CB ALA A 98 1.257 -12.839 -10.567 1.00 0.00 C ATOM 0 H ALA A 98 0.747 -13.612 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 98 2.536 -11.672 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.491 -12.279 -11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.902 -13.716 -10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.215 -13.156 -10.596 1.00 0.00 H new ATOM 1466 N HIS A 99 -0.283 -10.495 -8.607 1.00 0.00 N ATOM 1467 CA HIS A 99 -1.115 -9.312 -8.605 1.00 0.00 C ATOM 1468 C HIS A 99 -0.391 -8.199 -7.877 1.00 0.00 C ATOM 1469 O HIS A 99 -0.552 -7.025 -8.191 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.438 -9.578 -7.853 1.00 0.00 C ATOM 1471 CG HIS A 99 -3.181 -10.774 -8.297 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -3.743 -11.695 -7.443 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -3.433 -11.199 -9.528 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -4.300 -12.642 -8.180 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -4.148 -12.391 -9.469 1.00 0.00 N ATOM 0 H HIS A 99 -0.513 -11.170 -7.878 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.326 -9.039 -9.639 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.220 -9.679 -6.790 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.083 -8.706 -7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.130 -10.698 -10.435 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.811 -13.506 -7.781 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.483 -12.951 -10.253 1.00 0.00 H new ATOM 1483 N VAL A 100 0.445 -8.574 -6.931 1.00 0.00 N ATOM 1484 CA VAL A 100 1.026 -7.649 -6.066 1.00 0.00 C ATOM 1485 C VAL A 100 2.400 -7.150 -6.544 1.00 0.00 C ATOM 1486 O VAL A 100 3.223 -7.926 -7.031 1.00 0.00 O ATOM 1487 CB VAL A 100 1.102 -8.270 -4.676 1.00 0.00 C ATOM 1488 CG1 VAL A 100 1.643 -7.300 -3.689 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.267 -8.758 -4.245 1.00 0.00 C ATOM 0 H VAL A 100 0.723 -9.541 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 100 0.398 -6.758 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 100 1.781 -9.122 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.687 -7.768 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.645 -6.995 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.995 -6.425 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.199 -9.199 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.962 -7.919 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.625 -9.507 -4.951 1.00 0.00 H new ATOM 1499 N ALA A 101 2.601 -5.847 -6.428 1.00 0.00 N ATOM 1500 CA ALA A 101 3.835 -5.188 -6.747 1.00 0.00 C ATOM 1501 C ALA A 101 4.307 -4.426 -5.511 1.00 0.00 C ATOM 1502 O ALA A 101 3.540 -4.229 -4.572 1.00 0.00 O ATOM 1503 CB ALA A 101 3.622 -4.226 -7.905 1.00 0.00 C ATOM 0 H ALA A 101 1.879 -5.207 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 101 4.587 -5.920 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.562 -3.729 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.273 -4.778 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.878 -3.480 -7.626 1.00 0.00 H new ATOM 1509 N ILE A 102 5.524 -3.983 -5.516 1.00 0.00 N ATOM 1510 CA ILE A 102 6.095 -3.278 -4.403 1.00 0.00 C ATOM 1511 C ILE A 102 6.410 -1.876 -4.847 1.00 0.00 C ATOM 1512 O ILE A 102 6.979 -1.688 -5.918 1.00 0.00 O ATOM 1513 CB ILE A 102 7.458 -3.911 -3.900 1.00 0.00 C ATOM 1514 CG1 ILE A 102 7.327 -5.261 -3.137 1.00 0.00 C ATOM 1515 CG2 ILE A 102 8.230 -2.904 -3.072 1.00 0.00 C ATOM 1516 CD1 ILE A 102 6.779 -6.410 -3.928 1.00 0.00 C ATOM 0 H ILE A 102 6.162 -4.100 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 102 5.370 -3.323 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 102 8.007 -4.159 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.311 -5.541 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.687 -5.105 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.164 -3.352 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.448 -2.025 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.634 -2.610 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.732 -7.297 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.778 -6.164 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.428 -6.606 -4.782 1.00 0.00 H new ATOM 1528 N TRP A 103 6.049 -0.895 -4.075 1.00 0.00 N ATOM 1529 CA TRP A 103 6.517 0.429 -4.390 1.00 0.00 C ATOM 1530 C TRP A 103 7.359 0.901 -3.253 1.00 0.00 C ATOM 1531 O TRP A 103 7.138 0.505 -2.097 1.00 0.00 O ATOM 1532 CB TRP A 103 5.417 1.444 -4.685 1.00 0.00 C ATOM 1533 CG TRP A 103 4.469 1.081 -5.786 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.641 0.161 -6.765 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.197 1.665 -6.007 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.548 0.126 -7.568 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.643 1.055 -7.131 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.481 2.644 -5.347 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.390 1.394 -7.620 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.233 2.996 -5.823 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.698 2.371 -6.956 1.00 0.00 C ATOM 0 H TRP A 103 5.454 -0.975 -3.251 1.00 0.00 H new ATOM 0 HA TRP A 103 7.084 0.356 -5.318 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.841 1.601 -3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.885 2.396 -4.935 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.520 -0.455 -6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.421 -0.493 -8.369 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.890 3.127 -4.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.977 0.906 -8.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.664 3.761 -5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.278 2.665 -7.313 1.00 0.00 H new ATOM 1552 N LYS A 104 8.300 1.714 -3.545 1.00 0.00 N ATOM 1553 CA LYS A 104 9.190 2.183 -2.553 1.00 0.00 C ATOM 1554 C LYS A 104 8.752 3.569 -2.152 1.00 0.00 C ATOM 1555 O LYS A 104 8.696 4.484 -2.988 1.00 0.00 O ATOM 1556 CB LYS A 104 10.647 2.155 -3.103 1.00 0.00 C ATOM 1557 CG LYS A 104 11.788 2.366 -2.077 1.00 0.00 C ATOM 1558 CD LYS A 104 11.832 3.781 -1.518 1.00 0.00 C ATOM 1559 CE LYS A 104 12.917 3.963 -0.476 1.00 0.00 C ATOM 1560 NZ LYS A 104 14.260 3.854 -1.054 1.00 0.00 N ATOM 0 H LYS A 104 8.477 2.076 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 104 9.173 1.545 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.806 1.195 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.735 2.924 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.665 1.660 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.743 2.139 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.995 4.485 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.865 4.023 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.805 4.938 -0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.797 3.213 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.765 3.060 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.185 3.689 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.784 4.736 -0.883 1.00 0.00 H new ATOM 1574 N ALA A 105 8.376 3.699 -0.904 1.00 0.00 N ATOM 1575 CA ALA A 105 8.052 4.980 -0.325 1.00 0.00 C ATOM 1576 C ALA A 105 9.360 5.728 -0.171 1.00 0.00 C ATOM 1577 O ALA A 105 10.176 5.398 0.689 1.00 0.00 O ATOM 1578 CB ALA A 105 7.363 4.788 1.018 1.00 0.00 C ATOM 0 H ALA A 105 8.285 2.915 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 105 7.364 5.543 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.123 5.761 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.445 4.217 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.027 4.248 1.694 1.00 0.00 H new ATOM 1584 N LEU A 106 9.594 6.657 -1.055 1.00 0.00 N ATOM 1585 CA LEU A 106 10.858 7.312 -1.148 1.00 0.00 C ATOM 1586 C LEU A 106 11.004 8.378 -0.081 1.00 0.00 C ATOM 1587 O LEU A 106 10.492 9.501 -0.213 1.00 0.00 O ATOM 1588 CB LEU A 106 11.044 7.868 -2.562 1.00 0.00 C ATOM 1589 CG LEU A 106 12.446 8.346 -2.946 1.00 0.00 C ATOM 1590 CD1 LEU A 106 13.456 7.214 -2.808 1.00 0.00 C ATOM 1591 CD2 LEU A 106 12.440 8.856 -4.374 1.00 0.00 C ATOM 0 H LEU A 106 8.905 6.980 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 106 11.653 6.589 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.744 7.096 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.355 8.703 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 106 12.735 9.153 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.447 7.574 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.473 6.865 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.172 6.391 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.440 9.195 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.136 8.053 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.739 9.687 -4.461 1.00 0.00 H new ATOM 1748 N PHE A 117 16.622 -0.190 -2.568 1.00 0.00 N ATOM 1749 CA PHE A 117 15.744 -1.313 -2.608 1.00 0.00 C ATOM 1750 C PHE A 117 15.314 -1.501 -4.039 1.00 0.00 C ATOM 1751 O PHE A 117 14.608 -0.655 -4.604 1.00 0.00 O ATOM 1752 CB PHE A 117 14.522 -1.049 -1.704 1.00 0.00 C ATOM 1753 CG PHE A 117 14.924 -0.494 -0.367 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.629 -1.261 0.520 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.644 0.812 -0.035 1.00 0.00 C ATOM 1756 CE1 PHE A 117 16.061 -0.738 1.725 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.059 1.344 1.168 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.775 0.569 2.046 1.00 0.00 C ATOM 0 HA PHE A 117 16.242 -2.212 -2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.848 -0.350 -2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.969 -1.977 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 117 15.851 -2.289 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.091 1.430 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.622 -1.354 2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.821 2.367 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.112 0.983 2.985 1.00 0.00 H new ATOM 1768 N GLN A 118 15.791 -2.542 -4.637 1.00 0.00 N ATOM 1769 CA GLN A 118 15.474 -2.843 -6.006 1.00 0.00 C ATOM 1770 C GLN A 118 14.323 -3.847 -6.064 1.00 0.00 C ATOM 1771 O GLN A 118 13.839 -4.298 -5.007 1.00 0.00 O ATOM 1772 CB GLN A 118 16.703 -3.362 -6.754 1.00 0.00 C ATOM 1773 CG GLN A 118 17.215 -4.702 -6.267 1.00 0.00 C ATOM 1774 CD GLN A 118 18.390 -5.193 -7.072 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.550 -4.926 -6.736 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.110 -5.870 -8.147 1.00 0.00 N ATOM 0 H GLN A 118 16.415 -3.215 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 118 15.158 -1.925 -6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.460 -3.443 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.503 -2.627 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.505 -4.619 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.411 -5.436 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.138 -6.068 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 118 18.862 -6.203 -8.750 1.00 0.00 H new ATOM 1785 N HIS A 119 13.903 -4.195 -7.284 1.00 0.00 N ATOM 1786 CA HIS A 119 12.753 -5.074 -7.535 1.00 0.00 C ATOM 1787 C HIS A 119 11.444 -4.416 -7.142 1.00 0.00 C ATOM 1788 O HIS A 119 10.415 -5.079 -6.957 1.00 0.00 O ATOM 1789 CB HIS A 119 12.916 -6.498 -6.940 1.00 0.00 C ATOM 1790 CG HIS A 119 13.812 -7.379 -7.765 1.00 0.00 C ATOM 1791 ND1 HIS A 119 14.812 -8.197 -7.265 1.00 0.00 N ATOM 1792 CD2 HIS A 119 13.812 -7.580 -9.104 1.00 0.00 C ATOM 1793 CE1 HIS A 119 15.369 -8.837 -8.292 1.00 0.00 C ATOM 1794 NE2 HIS A 119 14.795 -8.499 -9.437 1.00 0.00 N ATOM 0 H HIS A 119 14.357 -3.871 -8.138 1.00 0.00 H new ATOM 0 HA HIS A 119 12.720 -5.226 -8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.321 -6.420 -5.931 1.00 0.00 H new ATOM 0 HB3 HIS A 119 11.935 -6.965 -6.855 1.00 0.00 H new ATOM 0 HD1 HIS A 119 15.075 -8.292 -6.284 1.00 0.00 H new ATOM 0 HD2 HIS A 119 13.147 -7.098 -9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 119 16.183 -9.541 -8.203 1.00 0.00 H new ATOM 1802 N VAL A 120 11.481 -3.101 -7.071 1.00 0.00 N ATOM 1803 CA VAL A 120 10.311 -2.318 -6.802 1.00 0.00 C ATOM 1804 C VAL A 120 9.710 -1.876 -8.133 1.00 0.00 C ATOM 1805 O VAL A 120 10.441 -1.634 -9.117 1.00 0.00 O ATOM 1806 CB VAL A 120 10.599 -1.081 -5.883 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.239 -1.520 -4.579 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.465 -0.035 -6.574 1.00 0.00 C ATOM 0 H VAL A 120 12.331 -2.551 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 120 9.605 -2.938 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 120 9.638 -0.614 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.431 -0.647 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.567 -2.200 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.179 -2.030 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.636 0.801 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.421 -0.479 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.958 0.322 -7.471 1.00 0.00 H new ATOM 1818 N ASP A 121 8.426 -1.796 -8.168 1.00 0.00 N ATOM 1819 CA ASP A 121 7.692 -1.456 -9.388 1.00 0.00 C ATOM 1820 C ASP A 121 7.615 0.043 -9.604 1.00 0.00 C ATOM 1821 O ASP A 121 7.808 0.536 -10.719 1.00 0.00 O ATOM 1822 CB ASP A 121 6.285 -2.083 -9.351 1.00 0.00 C ATOM 1823 CG ASP A 121 5.343 -1.585 -10.437 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.604 -1.792 -11.640 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.311 -0.974 -10.099 1.00 0.00 O ATOM 0 H ASP A 121 7.829 -1.962 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 121 8.240 -1.870 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.381 -3.165 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.837 -1.881 -8.378 1.00 0.00 H new ATOM 1830 N LYS A 122 7.380 0.775 -8.543 1.00 0.00 N ATOM 1831 CA LYS A 122 7.198 2.218 -8.624 1.00 0.00 C ATOM 1832 C LYS A 122 7.761 2.901 -7.399 1.00 0.00 C ATOM 1833 O LYS A 122 8.037 2.255 -6.377 1.00 0.00 O ATOM 1834 CB LYS A 122 5.709 2.606 -8.792 1.00 0.00 C ATOM 1835 CG LYS A 122 5.073 2.173 -10.096 1.00 0.00 C ATOM 1836 CD LYS A 122 3.649 2.677 -10.221 1.00 0.00 C ATOM 1837 CE LYS A 122 3.003 2.173 -11.497 1.00 0.00 C ATOM 1838 NZ LYS A 122 2.834 0.708 -11.489 1.00 0.00 N ATOM 0 H LYS A 122 7.308 0.397 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 122 7.740 2.554 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.142 2.172 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.620 3.689 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.666 2.546 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.081 1.085 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.067 2.348 -9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.643 3.767 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.031 2.649 -11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.614 2.463 -12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.345 0.295 -12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.215 0.319 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.823 0.475 -11.563 1.00 0.00 H new ATOM 1852 N TYR A 123 7.967 4.177 -7.517 1.00 0.00 N ATOM 1853 CA TYR A 123 8.415 5.007 -6.436 1.00 0.00 C ATOM 1854 C TYR A 123 7.340 5.985 -6.088 1.00 0.00 C ATOM 1855 O TYR A 123 6.703 6.558 -6.977 1.00 0.00 O ATOM 1856 CB TYR A 123 9.701 5.749 -6.785 1.00 0.00 C ATOM 1857 CG TYR A 123 10.935 4.913 -6.652 1.00 0.00 C ATOM 1858 CD1 TYR A 123 11.584 4.847 -5.440 1.00 0.00 C ATOM 1859 CD2 TYR A 123 11.450 4.190 -7.716 1.00 0.00 C ATOM 1860 CE1 TYR A 123 12.707 4.094 -5.275 1.00 0.00 C ATOM 1861 CE2 TYR A 123 12.587 3.422 -7.562 1.00 0.00 C ATOM 1862 CZ TYR A 123 13.211 3.379 -6.334 1.00 0.00 C ATOM 1863 OH TYR A 123 14.344 2.612 -6.163 1.00 0.00 O ATOM 0 H TYR A 123 7.825 4.685 -8.390 1.00 0.00 H new ATOM 0 HA TYR A 123 8.630 4.366 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.631 6.117 -7.809 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.793 6.622 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 123 11.194 5.405 -4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 123 10.957 4.228 -8.676 1.00 0.00 H new ATOM 0 HE1 TYR A 123 13.200 4.059 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 123 12.983 2.861 -8.395 1.00 0.00 H new ATOM 0 HH TYR A 123 14.569 2.169 -7.007 1.00 0.00 H new ATOM 1873 N VAL A 124 7.112 6.164 -4.822 1.00 0.00 N ATOM 1874 CA VAL A 124 6.086 7.077 -4.351 1.00 0.00 C ATOM 1875 C VAL A 124 6.618 7.900 -3.209 1.00 0.00 C ATOM 1876 O VAL A 124 7.732 7.668 -2.746 1.00 0.00 O ATOM 1877 CB VAL A 124 4.780 6.354 -3.899 1.00 0.00 C ATOM 1878 CG1 VAL A 124 4.092 5.671 -5.067 1.00 0.00 C ATOM 1879 CG2 VAL A 124 5.063 5.352 -2.789 1.00 0.00 C ATOM 0 H VAL A 124 7.624 5.688 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 124 5.826 7.714 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 124 4.106 7.117 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.186 5.177 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.832 6.414 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.763 4.931 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.134 4.864 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.769 4.603 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.488 5.871 -1.930 1.00 0.00 H new ATOM 1889 N LEU A 125 5.834 8.845 -2.755 1.00 0.00 N ATOM 1890 CA LEU A 125 6.230 9.692 -1.656 1.00 0.00 C ATOM 1891 C LEU A 125 6.113 8.964 -0.314 1.00 0.00 C ATOM 1892 O LEU A 125 5.231 8.108 -0.122 1.00 0.00 O ATOM 1893 CB LEU A 125 5.498 11.092 -1.665 1.00 0.00 C ATOM 1894 CG LEU A 125 3.933 11.196 -1.533 1.00 0.00 C ATOM 1895 CD1 LEU A 125 3.170 10.418 -2.597 1.00 0.00 C ATOM 1896 CD2 LEU A 125 3.436 10.862 -0.133 1.00 0.00 C ATOM 0 H LEU A 125 4.909 9.049 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 125 7.286 9.921 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.925 11.680 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.772 11.588 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 125 3.712 12.248 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.098 10.539 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.436 10.796 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.429 9.361 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.350 10.950 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.724 9.842 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.877 11.554 0.584 1.00 0.00 H new