USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 778 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 85 SER OG : rot 118:sc= 2.44 USER MOD Set 1.2: A 89 TYR OH : rot 70:sc= 1.15 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.175 K(o=-0.36,f=-7.1!) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.535 K(o=-0.36,f=-10!) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.38 K(o=2.1,f=-8!) USER MOD Set 3.2: A 59 TYR OH : rot -150:sc= 0.797 USER MOD Set 3.3: A 95 LYS NZ :NH3+ 179:sc= 2.66 (180deg=0.5) USER MOD Set 4.1: A 25 ASN : amide:sc= -0.323 K(o=-5.3,f=-12) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 132:sc= 2.15 (180deg=0.961) USER MOD Set 4.3: A 49 HIS : +bothHN:sc= -7.09! C(o=-5.3!,f=-7.2!) USER MOD Set 5.1: A 35 GLN : amide:sc= 0.108 K(o=2.9,f=-0.16) USER MOD Set 5.2: A 37 LYS NZ :NH3+ -166:sc= 2.39 (180deg=0.846) USER MOD Set 5.3: A 78 ASN : amide:sc= 0.349 K(o=2.9,f=-12!) USER MOD Set 6.1: A 18 SER OG : rot -132:sc= 0.286 USER MOD Set 6.2: A 27 TYR OH : rot -84:sc= 1.27 USER MOD Set 7.1: A 5 TYR OH : rot 150:sc= 0.00189! USER MOD Set 7.2: A 8 GLN : amide:sc= 0.889 K(o=1.6,f=1.1) USER MOD Set 7.3: A 12 CYS SG : rot 180:sc=0.000935 USER MOD Set 7.4: A 13 CYS SG : rot 20:sc= 0.73 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 26 MET CE :methyl -171:sc= 0 (180deg=-0.0684) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 95:sc= 1.01 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 1.32 (180deg=0.731) USER MOD Single : A 46 MET CE :methyl 173:sc= -0.347 (180deg=-0.508) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= 0.2 (180deg=-2.15!) USER MOD Single : A 50 ASN : amide:sc= -0.409 K(o=-0.41,f=-0.92) USER MOD Single : A 66 SER OG : rot 180:sc= 0.154 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= 1.02 (180deg=-0.209) USER MOD Single : A 76 ASN : amide:sc= -0.969 K(o=-0.97,f=-2.2!) USER MOD Single : A 81 TYR OH : rot -80:sc= -0.255 USER MOD Single : A 83 MET CE :methyl -170:sc= 0 (180deg=-0.0783) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.317 K(o=0.32,f=-4.3!) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.712) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.095 -27.804 14.581 1.00 0.00 N ATOM 2 CA ALA A 1 4.622 -28.007 14.484 1.00 0.00 C ATOM 3 C ALA A 1 4.151 -27.974 13.028 1.00 0.00 C ATOM 4 O ALA A 1 3.613 -28.960 12.523 1.00 0.00 O ATOM 5 CB ALA A 1 3.887 -26.957 15.307 1.00 0.00 C ATOM 0 H1 ALA A 1 6.384 -27.831 15.580 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.585 -28.558 14.058 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.346 -26.881 14.173 1.00 0.00 H new ATOM 0 HA ALA A 1 4.391 -28.993 14.887 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.812 -27.118 15.226 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.188 -27.037 16.351 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.134 -25.963 14.933 1.00 0.00 H new ATOM 13 N LEU A 2 4.356 -26.836 12.362 1.00 0.00 N ATOM 14 CA LEU A 2 3.951 -26.677 10.965 1.00 0.00 C ATOM 15 C LEU A 2 5.004 -25.897 10.171 1.00 0.00 C ATOM 16 O LEU A 2 5.840 -25.203 10.752 1.00 0.00 O ATOM 17 CB LEU A 2 2.595 -25.966 10.884 1.00 0.00 C ATOM 18 CG LEU A 2 2.545 -24.578 11.529 1.00 0.00 C ATOM 19 CD1 LEU A 2 2.057 -23.540 10.530 1.00 0.00 C ATOM 20 CD2 LEU A 2 1.651 -24.593 12.759 1.00 0.00 C ATOM 0 H LEU A 2 4.800 -26.012 12.768 1.00 0.00 H new ATOM 0 HA LEU A 2 3.860 -27.670 10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.315 -25.871 9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.844 -26.597 11.359 1.00 0.00 H new ATOM 0 HG LEU A 2 3.555 -24.309 11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.029 -22.561 11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.735 -23.508 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.057 -23.806 10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.628 -23.598 13.204 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.641 -24.886 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.042 -25.306 13.485 1.00 0.00 H new ATOM 32 N PRO A 3 4.974 -25.998 8.826 1.00 0.00 N ATOM 33 CA PRO A 3 5.921 -25.301 7.958 1.00 0.00 C ATOM 34 C PRO A 3 5.460 -23.886 7.599 1.00 0.00 C ATOM 35 O PRO A 3 4.425 -23.420 8.079 1.00 0.00 O ATOM 36 CB PRO A 3 5.960 -26.191 6.714 1.00 0.00 C ATOM 37 CG PRO A 3 4.611 -26.843 6.651 1.00 0.00 C ATOM 38 CD PRO A 3 4.011 -26.799 8.045 1.00 0.00 C ATOM 0 HA PRO A 3 6.891 -25.160 8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.155 -25.604 5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.753 -26.935 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.968 -26.323 5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.700 -27.873 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.023 -26.340 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.895 -27.800 8.461 1.00 0.00 H new ATOM 46 N LEU A 4 6.235 -23.209 6.749 1.00 0.00 N ATOM 47 CA LEU A 4 5.907 -21.848 6.322 1.00 0.00 C ATOM 48 C LEU A 4 4.630 -21.824 5.477 1.00 0.00 C ATOM 49 O LEU A 4 4.135 -22.873 5.053 1.00 0.00 O ATOM 50 CB LEU A 4 7.074 -21.236 5.535 1.00 0.00 C ATOM 51 CG LEU A 4 7.468 -21.980 4.254 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.032 -21.199 3.024 1.00 0.00 C ATOM 53 CD2 LEU A 4 8.967 -22.231 4.222 1.00 0.00 C ATOM 0 H LEU A 4 7.094 -23.581 6.343 1.00 0.00 H new ATOM 0 HA LEU A 4 5.733 -21.251 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.815 -20.210 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.945 -21.188 6.189 1.00 0.00 H new ATOM 0 HG LEU A 4 6.957 -22.943 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.321 -21.744 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.950 -21.072 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.512 -20.221 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.228 -22.760 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.496 -21.279 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.253 -22.835 5.083 1.00 0.00 H new ATOM 65 N TYR A 5 4.103 -20.621 5.241 1.00 0.00 N ATOM 66 CA TYR A 5 2.880 -20.446 4.452 1.00 0.00 C ATOM 67 C TYR A 5 2.962 -21.193 3.118 1.00 0.00 C ATOM 68 O TYR A 5 3.711 -20.804 2.219 1.00 0.00 O ATOM 69 CB TYR A 5 2.611 -18.956 4.203 1.00 0.00 C ATOM 70 CG TYR A 5 1.181 -18.652 3.812 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.695 -18.989 2.554 1.00 0.00 C ATOM 72 CD2 TYR A 5 0.316 -18.024 4.700 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.609 -18.712 2.194 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.991 -17.744 4.347 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.448 -18.090 3.092 1.00 0.00 C ATOM 76 OH TYR A 5 -2.747 -17.813 2.732 1.00 0.00 O ATOM 0 H TYR A 5 4.505 -19.750 5.586 1.00 0.00 H new ATOM 0 HA TYR A 5 2.055 -20.867 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.859 -18.396 5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.276 -18.603 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.349 -19.476 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.671 -17.750 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.970 -18.982 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.651 -17.257 5.050 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.319 -17.835 3.528 1.00 0.00 H new ATOM 86 N ASN A 6 2.182 -22.269 3.002 1.00 0.00 N ATOM 87 CA ASN A 6 2.154 -23.078 1.786 1.00 0.00 C ATOM 88 C ASN A 6 0.715 -23.383 1.371 1.00 0.00 C ATOM 89 O ASN A 6 0.261 -22.947 0.313 1.00 0.00 O ATOM 90 CB ASN A 6 2.930 -24.383 1.994 1.00 0.00 C ATOM 91 CG ASN A 6 4.397 -24.252 1.628 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.786 -24.494 0.487 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.221 -23.873 2.597 1.00 0.00 N ATOM 0 H ASN A 6 1.560 -22.600 3.739 1.00 0.00 H new ATOM 0 HA ASN A 6 2.630 -22.508 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.845 -24.690 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.478 -25.171 1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.218 -23.773 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.857 -23.682 3.530 1.00 0.00 H new ATOM 100 N GLN A 7 0.003 -24.131 2.217 1.00 0.00 N ATOM 101 CA GLN A 7 -1.388 -24.492 1.945 1.00 0.00 C ATOM 102 C GLN A 7 -2.306 -23.985 3.056 1.00 0.00 C ATOM 103 O GLN A 7 -2.263 -24.479 4.184 1.00 0.00 O ATOM 104 CB GLN A 7 -1.524 -26.011 1.799 1.00 0.00 C ATOM 105 CG GLN A 7 -0.751 -26.586 0.621 1.00 0.00 C ATOM 106 CD GLN A 7 0.085 -27.795 1.000 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.178 -28.908 0.551 1.00 0.00 O ATOM 108 NE2 GLN A 7 1.098 -27.583 1.833 1.00 0.00 N ATOM 0 H GLN A 7 0.368 -24.498 3.096 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.687 -24.020 1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.178 -26.487 2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.579 -26.263 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.452 -26.867 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.100 -25.815 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.282 -26.643 2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.691 -28.360 2.123 1.00 0.00 H new ATOM 117 N GLN A 8 -3.135 -22.994 2.728 1.00 0.00 N ATOM 118 CA GLN A 8 -4.064 -22.415 3.696 1.00 0.00 C ATOM 119 C GLN A 8 -5.494 -22.428 3.157 1.00 0.00 C ATOM 120 O GLN A 8 -5.734 -22.093 1.995 1.00 0.00 O ATOM 121 CB GLN A 8 -3.643 -20.983 4.042 1.00 0.00 C ATOM 122 CG GLN A 8 -4.302 -20.439 5.301 1.00 0.00 C ATOM 123 CD GLN A 8 -4.901 -19.062 5.095 1.00 0.00 C ATOM 124 OE1 GLN A 8 -4.194 -18.055 5.141 1.00 0.00 O ATOM 125 NE2 GLN A 8 -6.206 -19.008 4.863 1.00 0.00 N ATOM 0 H GLN A 8 -3.182 -22.576 1.799 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.035 -23.022 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.561 -20.952 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.886 -20.330 3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.083 -21.127 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.565 -20.395 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.755 -19.867 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.661 -18.107 4.714 1.00 0.00 H new ATOM 134 N VAL A 9 -6.441 -22.817 4.012 1.00 0.00 N ATOM 135 CA VAL A 9 -7.850 -22.878 3.627 1.00 0.00 C ATOM 136 C VAL A 9 -8.708 -22.009 4.548 1.00 0.00 C ATOM 137 O VAL A 9 -8.981 -22.378 5.692 1.00 0.00 O ATOM 138 CB VAL A 9 -8.383 -24.327 3.652 1.00 0.00 C ATOM 139 CG1 VAL A 9 -9.795 -24.394 3.091 1.00 0.00 C ATOM 140 CG2 VAL A 9 -7.456 -25.257 2.880 1.00 0.00 C ATOM 0 H VAL A 9 -6.257 -23.095 4.976 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.917 -22.498 2.608 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.412 -24.657 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.149 -25.425 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.455 -23.767 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.794 -24.038 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.851 -26.272 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.388 -24.925 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.464 -25.240 3.332 1.00 0.00 H new ATOM 150 N GLY A 10 -9.130 -20.853 4.037 1.00 0.00 N ATOM 151 CA GLY A 10 -9.954 -19.945 4.818 1.00 0.00 C ATOM 152 C GLY A 10 -10.328 -18.693 4.045 1.00 0.00 C ATOM 153 O GLY A 10 -10.661 -18.767 2.861 1.00 0.00 O ATOM 0 H GLY A 10 -8.915 -20.529 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.862 -20.461 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.419 -19.663 5.725 1.00 0.00 H new ATOM 157 N ASP A 11 -10.270 -17.542 4.714 1.00 0.00 N ATOM 158 CA ASP A 11 -10.601 -16.268 4.079 1.00 0.00 C ATOM 159 C ASP A 11 -9.488 -15.238 4.297 1.00 0.00 C ATOM 160 O ASP A 11 -9.753 -14.062 4.567 1.00 0.00 O ATOM 161 CB ASP A 11 -11.937 -15.740 4.618 1.00 0.00 C ATOM 162 CG ASP A 11 -12.798 -15.122 3.532 1.00 0.00 C ATOM 163 OD1 ASP A 11 -12.306 -14.218 2.821 1.00 0.00 O ATOM 164 OD2 ASP A 11 -13.964 -15.543 3.392 1.00 0.00 O ATOM 0 H ASP A 11 -9.997 -17.466 5.694 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.696 -16.435 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.483 -16.557 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.745 -14.997 5.392 1.00 0.00 H new ATOM 169 N CYS A 12 -8.240 -15.685 4.169 1.00 0.00 N ATOM 170 CA CYS A 12 -7.087 -14.808 4.344 1.00 0.00 C ATOM 171 C CYS A 12 -5.874 -15.333 3.582 1.00 0.00 C ATOM 172 O CYS A 12 -5.777 -16.528 3.290 1.00 0.00 O ATOM 173 CB CYS A 12 -6.749 -14.655 5.828 1.00 0.00 C ATOM 174 SG CYS A 12 -6.685 -16.213 6.745 1.00 0.00 S ATOM 0 H CYS A 12 -8.003 -16.651 3.944 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.348 -13.831 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.785 -14.154 5.919 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.491 -14.005 6.292 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.390 -15.973 7.988 1.00 0.00 H new ATOM 180 N CYS A 13 -4.951 -14.429 3.263 1.00 0.00 N ATOM 181 CA CYS A 13 -3.739 -14.790 2.534 1.00 0.00 C ATOM 182 C CYS A 13 -2.603 -13.822 2.861 1.00 0.00 C ATOM 183 O CYS A 13 -2.750 -12.944 3.715 1.00 0.00 O ATOM 184 CB CYS A 13 -4.019 -14.794 1.025 1.00 0.00 C ATOM 185 SG CYS A 13 -3.173 -16.111 0.118 1.00 0.00 S ATOM 0 H CYS A 13 -5.020 -13.439 3.499 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.432 -15.790 2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.093 -14.891 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.721 -13.832 0.609 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.826 -17.053 0.944 1.00 0.00 H new ATOM 191 N ILE A 14 -1.478 -13.968 2.166 1.00 0.00 N ATOM 192 CA ILE A 14 -0.339 -13.082 2.377 1.00 0.00 C ATOM 193 C ILE A 14 -0.402 -11.925 1.403 1.00 0.00 C ATOM 194 O ILE A 14 -0.946 -12.051 0.305 1.00 0.00 O ATOM 195 CB ILE A 14 1.039 -13.779 2.231 1.00 0.00 C ATOM 196 CG1 ILE A 14 0.917 -15.303 2.181 1.00 0.00 C ATOM 197 CG2 ILE A 14 1.960 -13.361 3.368 1.00 0.00 C ATOM 198 CD1 ILE A 14 0.874 -15.849 0.769 1.00 0.00 C ATOM 0 H ILE A 14 -1.332 -14.686 1.457 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.416 -12.740 3.409 1.00 0.00 H new ATOM 0 HB ILE A 14 1.466 -13.459 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.760 -15.747 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.013 -15.607 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.925 -13.856 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.102 -12.281 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.514 -13.647 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.787 -16.935 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.015 -15.432 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.789 -15.574 0.244 1.00 0.00 H new ATOM 210 N ILE A 15 0.129 -10.792 1.823 1.00 0.00 N ATOM 211 CA ILE A 15 0.108 -9.595 1.002 1.00 0.00 C ATOM 212 C ILE A 15 1.440 -8.871 1.017 1.00 0.00 C ATOM 213 O ILE A 15 1.978 -8.579 2.077 1.00 0.00 O ATOM 214 CB ILE A 15 -0.976 -8.627 1.500 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.379 -9.207 1.275 1.00 0.00 C ATOM 216 CG2 ILE A 15 -0.836 -7.275 0.822 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.439 -8.146 1.083 1.00 0.00 C ATOM 0 H ILE A 15 0.581 -10.675 2.730 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.104 -9.916 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.840 -8.489 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.361 -9.856 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.648 -9.830 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.612 -6.603 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.144 -6.854 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.939 -7.396 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.407 -8.623 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.484 -7.512 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.191 -7.538 0.213 1.00 0.00 H new ATOM 229 N ARG A 16 1.937 -8.545 -0.171 1.00 0.00 N ATOM 230 CA ARG A 16 3.185 -7.811 -0.306 1.00 0.00 C ATOM 231 C ARG A 16 2.875 -6.394 -0.788 1.00 0.00 C ATOM 232 O ARG A 16 2.723 -6.144 -1.985 1.00 0.00 O ATOM 233 CB ARG A 16 4.134 -8.555 -1.251 1.00 0.00 C ATOM 234 CG ARG A 16 5.542 -7.990 -1.298 1.00 0.00 C ATOM 235 CD ARG A 16 6.571 -9.078 -1.570 1.00 0.00 C ATOM 236 NE ARG A 16 6.327 -9.756 -2.846 1.00 0.00 N ATOM 237 CZ ARG A 16 6.612 -9.234 -4.039 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.175 -8.036 -4.138 1.00 0.00 N ATOM 239 NH2 ARG A 16 6.330 -9.914 -5.141 1.00 0.00 N ATOM 0 H ARG A 16 1.490 -8.780 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 16 3.691 -7.738 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.185 -9.600 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.714 -8.536 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.603 -7.227 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.770 -7.500 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.569 -8.640 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.549 -9.808 -0.761 1.00 0.00 H new ATOM 0 HE ARG A 16 5.912 -10.688 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.394 -7.504 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.388 -7.647 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.896 -10.835 -5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.547 -9.517 -6.055 1.00 0.00 H new ATOM 253 N VAL A 17 2.736 -5.482 0.180 1.00 0.00 N ATOM 254 CA VAL A 17 2.391 -4.086 -0.098 1.00 0.00 C ATOM 255 C VAL A 17 3.623 -3.245 -0.466 1.00 0.00 C ATOM 256 O VAL A 17 4.741 -3.536 -0.030 1.00 0.00 O ATOM 257 CB VAL A 17 1.713 -3.416 1.127 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.661 -3.340 2.320 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.210 -2.024 0.771 1.00 0.00 C ATOM 0 H VAL A 17 2.859 -5.690 1.171 1.00 0.00 H new ATOM 0 HA VAL A 17 1.704 -4.116 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 17 0.863 -4.038 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.153 -2.865 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.969 -4.346 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.540 -2.754 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.738 -1.573 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.048 -1.405 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.483 -2.096 -0.038 1.00 0.00 H new ATOM 269 N SER A 18 3.400 -2.182 -1.241 1.00 0.00 N ATOM 270 CA SER A 18 4.476 -1.272 -1.647 1.00 0.00 C ATOM 271 C SER A 18 3.985 0.174 -1.702 1.00 0.00 C ATOM 272 O SER A 18 3.049 0.493 -2.435 1.00 0.00 O ATOM 273 CB SER A 18 5.043 -1.668 -3.011 1.00 0.00 C ATOM 274 OG SER A 18 4.006 -1.962 -3.933 1.00 0.00 O ATOM 0 H SER A 18 2.480 -1.928 -1.602 1.00 0.00 H new ATOM 0 HA SER A 18 5.264 -1.349 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.660 -0.858 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.691 -2.537 -2.900 1.00 0.00 H new ATOM 0 HG SER A 18 4.203 -2.808 -4.388 1.00 0.00 H new ATOM 280 N LEU A 19 4.628 1.047 -0.932 1.00 0.00 N ATOM 281 CA LEU A 19 4.260 2.461 -0.902 1.00 0.00 C ATOM 282 C LEU A 19 5.035 3.246 -1.961 1.00 0.00 C ATOM 283 O LEU A 19 6.227 3.006 -2.169 1.00 0.00 O ATOM 284 CB LEU A 19 4.522 3.057 0.485 1.00 0.00 C ATOM 285 CG LEU A 19 3.306 3.093 1.410 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.526 2.209 2.627 1.00 0.00 C ATOM 287 CD2 LEU A 19 3.006 4.522 1.834 1.00 0.00 C ATOM 0 H LEU A 19 5.406 0.801 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 19 3.195 2.536 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.311 2.481 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.898 4.073 0.363 1.00 0.00 H new ATOM 0 HG LEU A 19 2.447 2.706 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.647 2.251 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.691 1.181 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.397 2.561 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.137 4.531 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.866 4.933 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.799 5.127 0.952 1.00 0.00 H new ATOM 299 N ASP A 20 4.355 4.176 -2.637 1.00 0.00 N ATOM 300 CA ASP A 20 4.994 4.978 -3.681 1.00 0.00 C ATOM 301 C ASP A 20 4.222 6.270 -3.973 1.00 0.00 C ATOM 302 O ASP A 20 3.650 6.436 -5.054 1.00 0.00 O ATOM 303 CB ASP A 20 5.134 4.149 -4.958 1.00 0.00 C ATOM 304 CG ASP A 20 6.048 4.796 -5.980 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.253 4.951 -5.686 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.559 5.147 -7.074 1.00 0.00 O ATOM 0 H ASP A 20 3.370 4.390 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 20 5.981 5.266 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.521 3.162 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.149 4.001 -5.400 1.00 0.00 H new ATOM 311 N VAL A 21 4.228 7.186 -3.010 1.00 0.00 N ATOM 312 CA VAL A 21 3.549 8.477 -3.159 1.00 0.00 C ATOM 313 C VAL A 21 4.262 9.561 -2.350 1.00 0.00 C ATOM 314 O VAL A 21 5.069 10.317 -2.893 1.00 0.00 O ATOM 315 CB VAL A 21 2.061 8.398 -2.743 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.396 9.765 -2.834 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.321 7.393 -3.606 1.00 0.00 C ATOM 0 H VAL A 21 4.697 7.061 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 21 3.587 8.739 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 21 2.018 8.067 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.351 9.682 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.907 10.463 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.453 10.130 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.276 7.350 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.381 7.697 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.774 6.409 -3.488 1.00 0.00 H new ATOM 327 N ASP A 22 3.974 9.620 -1.052 1.00 0.00 N ATOM 328 CA ASP A 22 4.600 10.594 -0.163 1.00 0.00 C ATOM 329 C ASP A 22 5.625 9.919 0.750 1.00 0.00 C ATOM 330 O ASP A 22 6.339 10.589 1.498 1.00 0.00 O ATOM 331 CB ASP A 22 3.537 11.307 0.680 1.00 0.00 C ATOM 332 CG ASP A 22 2.470 11.974 -0.166 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.785 12.981 -0.834 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.319 11.489 -0.157 1.00 0.00 O ATOM 0 H ASP A 22 3.307 9.001 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 22 5.117 11.330 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.067 10.587 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.019 12.057 1.307 1.00 0.00 H new ATOM 339 N ASN A 23 5.690 8.586 0.683 1.00 0.00 N ATOM 340 CA ASN A 23 6.618 7.811 1.498 1.00 0.00 C ATOM 341 C ASN A 23 7.236 6.676 0.678 1.00 0.00 C ATOM 342 O ASN A 23 6.720 5.555 0.660 1.00 0.00 O ATOM 343 CB ASN A 23 5.897 7.247 2.729 1.00 0.00 C ATOM 344 CG ASN A 23 5.022 8.279 3.426 1.00 0.00 C ATOM 345 OD1 ASN A 23 3.871 8.489 3.040 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.555 8.931 4.454 1.00 0.00 N ATOM 0 H ASN A 23 5.105 8.022 0.067 1.00 0.00 H new ATOM 0 HA ASN A 23 7.420 8.470 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.281 6.400 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.636 6.868 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.007 9.633 4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.512 8.730 4.745 1.00 0.00 H new ATOM 353 N GLY A 24 8.341 6.981 -0.005 1.00 0.00 N ATOM 354 CA GLY A 24 9.018 5.988 -0.825 1.00 0.00 C ATOM 355 C GLY A 24 9.734 4.938 0.006 1.00 0.00 C ATOM 356 O GLY A 24 10.936 5.046 0.250 1.00 0.00 O ATOM 0 H GLY A 24 8.780 7.902 -0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.290 5.500 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.738 6.487 -1.473 1.00 0.00 H new ATOM 360 N ASN A 25 8.987 3.927 0.445 1.00 0.00 N ATOM 361 CA ASN A 25 9.545 2.852 1.261 1.00 0.00 C ATOM 362 C ASN A 25 9.681 1.553 0.464 1.00 0.00 C ATOM 363 O ASN A 25 9.145 1.426 -0.640 1.00 0.00 O ATOM 364 CB ASN A 25 8.662 2.621 2.491 1.00 0.00 C ATOM 365 CG ASN A 25 9.460 2.198 3.711 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.380 1.050 4.151 1.00 0.00 O ATOM 367 ND2 ASN A 25 10.238 3.120 4.268 1.00 0.00 N ATOM 0 H ASN A 25 7.991 3.830 0.248 1.00 0.00 H new ATOM 0 HA ASN A 25 10.543 3.155 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.115 3.536 2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.921 1.855 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.796 2.888 5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.277 4.060 3.874 1.00 0.00 H new ATOM 374 N MET A 26 10.398 0.589 1.039 1.00 0.00 N ATOM 375 CA MET A 26 10.611 -0.709 0.399 1.00 0.00 C ATOM 376 C MET A 26 9.380 -1.608 0.557 1.00 0.00 C ATOM 377 O MET A 26 8.478 -1.311 1.347 1.00 0.00 O ATOM 378 CB MET A 26 11.849 -1.391 0.998 1.00 0.00 C ATOM 379 CG MET A 26 13.030 -1.465 0.043 1.00 0.00 C ATOM 380 SD MET A 26 12.754 -2.608 -1.324 1.00 0.00 S ATOM 381 CE MET A 26 12.999 -4.183 -0.507 1.00 0.00 C ATOM 0 H MET A 26 10.844 0.683 1.952 1.00 0.00 H new ATOM 0 HA MET A 26 10.774 -0.545 -0.666 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.152 -0.851 1.895 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.581 -2.401 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.231 -0.471 -0.356 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.918 -1.773 0.594 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.020 -4.979 -1.251 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.944 -4.168 0.036 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.182 -4.361 0.192 1.00 0.00 H new ATOM 391 N TYR A 27 9.348 -2.710 -0.199 1.00 0.00 N ATOM 392 CA TYR A 27 8.229 -3.653 -0.143 1.00 0.00 C ATOM 393 C TYR A 27 8.096 -4.259 1.254 1.00 0.00 C ATOM 394 O TYR A 27 9.094 -4.465 1.949 1.00 0.00 O ATOM 395 CB TYR A 27 8.415 -4.777 -1.171 1.00 0.00 C ATOM 396 CG TYR A 27 7.499 -4.668 -2.369 1.00 0.00 C ATOM 397 CD1 TYR A 27 6.126 -4.841 -2.239 1.00 0.00 C ATOM 398 CD2 TYR A 27 8.011 -4.395 -3.631 1.00 0.00 C ATOM 399 CE1 TYR A 27 5.291 -4.743 -3.336 1.00 0.00 C ATOM 400 CE2 TYR A 27 7.181 -4.294 -4.730 1.00 0.00 C ATOM 401 CZ TYR A 27 5.823 -4.470 -4.578 1.00 0.00 C ATOM 402 OH TYR A 27 4.995 -4.365 -5.670 1.00 0.00 O ATOM 0 H TYR A 27 10.084 -2.970 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 27 7.319 -3.100 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.449 -4.774 -1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.245 -5.736 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.706 -5.055 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.075 -4.260 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.226 -4.880 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.594 -4.078 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 27 4.821 -5.257 -6.036 1.00 0.00 H new ATOM 412 N LYS A 28 6.861 -4.554 1.651 1.00 0.00 N ATOM 413 CA LYS A 28 6.595 -5.148 2.961 1.00 0.00 C ATOM 414 C LYS A 28 5.397 -6.093 2.877 1.00 0.00 C ATOM 415 O LYS A 28 4.323 -5.699 2.422 1.00 0.00 O ATOM 416 CB LYS A 28 6.324 -4.066 4.018 1.00 0.00 C ATOM 417 CG LYS A 28 7.474 -3.085 4.237 1.00 0.00 C ATOM 418 CD LYS A 28 8.460 -3.594 5.276 1.00 0.00 C ATOM 419 CE LYS A 28 9.690 -2.699 5.362 1.00 0.00 C ATOM 420 NZ LYS A 28 9.339 -1.296 5.732 1.00 0.00 N ATOM 0 H LYS A 28 6.028 -4.392 1.085 1.00 0.00 H new ATOM 0 HA LYS A 28 7.481 -5.708 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.437 -3.505 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.094 -4.553 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.994 -2.918 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.075 -2.122 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.973 -3.640 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.764 -4.610 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.383 -3.105 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.208 -2.702 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.964 -0.972 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.457 -0.679 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.351 -1.259 6.053 1.00 0.00 H new ATOM 434 N SER A 29 5.579 -7.339 3.308 1.00 0.00 N ATOM 435 CA SER A 29 4.500 -8.320 3.265 1.00 0.00 C ATOM 436 C SER A 29 3.825 -8.466 4.633 1.00 0.00 C ATOM 437 O SER A 29 4.476 -8.367 5.675 1.00 0.00 O ATOM 438 CB SER A 29 5.037 -9.678 2.786 1.00 0.00 C ATOM 439 OG SER A 29 4.939 -10.672 3.795 1.00 0.00 O ATOM 0 H SER A 29 6.458 -7.691 3.688 1.00 0.00 H new ATOM 0 HA SER A 29 3.750 -7.965 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.480 -9.998 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.078 -9.570 2.483 1.00 0.00 H new ATOM 0 HG SER A 29 5.289 -11.521 3.453 1.00 0.00 H new ATOM 445 N ILE A 30 2.515 -8.712 4.611 1.00 0.00 N ATOM 446 CA ILE A 30 1.730 -8.888 5.833 1.00 0.00 C ATOM 447 C ILE A 30 0.502 -9.765 5.570 1.00 0.00 C ATOM 448 O ILE A 30 -0.003 -9.816 4.447 1.00 0.00 O ATOM 449 CB ILE A 30 1.259 -7.541 6.438 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.124 -6.447 5.363 1.00 0.00 C ATOM 451 CG2 ILE A 30 2.201 -7.093 7.550 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.393 -5.655 5.115 1.00 0.00 C ATOM 0 H ILE A 30 1.971 -8.794 3.752 1.00 0.00 H new ATOM 0 HA ILE A 30 2.392 -9.373 6.550 1.00 0.00 H new ATOM 0 HB ILE A 30 0.269 -7.702 6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.810 -6.910 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.332 -5.759 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.853 -6.146 7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.219 -7.846 8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.206 -6.966 7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.210 -4.906 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.699 -5.160 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.184 -6.329 4.786 1.00 0.00 H new ATOM 464 N LEU A 31 0.022 -10.450 6.611 1.00 0.00 N ATOM 465 CA LEU A 31 -1.153 -11.317 6.483 1.00 0.00 C ATOM 466 C LEU A 31 -2.430 -10.483 6.404 1.00 0.00 C ATOM 467 O LEU A 31 -2.642 -9.579 7.212 1.00 0.00 O ATOM 468 CB LEU A 31 -1.239 -12.302 7.656 1.00 0.00 C ATOM 469 CG LEU A 31 -0.396 -13.569 7.494 1.00 0.00 C ATOM 470 CD1 LEU A 31 0.536 -13.747 8.683 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.292 -14.788 7.331 1.00 0.00 C ATOM 0 H LEU A 31 0.426 -10.422 7.547 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.049 -11.888 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.928 -11.789 8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.281 -12.591 7.794 1.00 0.00 H new ATOM 0 HG LEU A 31 0.211 -13.465 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.127 -14.653 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.202 -12.887 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.052 -13.829 9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.676 -15.680 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.925 -14.895 8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.918 -14.664 6.447 1.00 0.00 H new ATOM 483 N VAL A 32 -3.264 -10.780 5.410 1.00 0.00 N ATOM 484 CA VAL A 32 -4.513 -10.045 5.198 1.00 0.00 C ATOM 485 C VAL A 32 -5.643 -10.980 4.766 1.00 0.00 C ATOM 486 O VAL A 32 -5.393 -12.096 4.316 1.00 0.00 O ATOM 487 CB VAL A 32 -4.322 -8.967 4.112 1.00 0.00 C ATOM 488 CG1 VAL A 32 -5.465 -7.962 4.115 1.00 0.00 C ATOM 489 CG2 VAL A 32 -2.989 -8.255 4.290 1.00 0.00 C ATOM 0 H VAL A 32 -3.098 -11.527 4.735 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.780 -9.579 6.146 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.323 -9.471 3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.297 -7.217 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.405 -8.480 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.513 -7.468 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.874 -7.499 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.960 -7.777 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.177 -8.978 4.215 1.00 0.00 H new ATOM 499 N THR A 33 -6.885 -10.511 4.880 1.00 0.00 N ATOM 500 CA THR A 33 -8.037 -11.310 4.474 1.00 0.00 C ATOM 501 C THR A 33 -8.265 -11.176 2.969 1.00 0.00 C ATOM 502 O THR A 33 -7.834 -10.196 2.357 1.00 0.00 O ATOM 503 CB THR A 33 -9.297 -10.888 5.238 1.00 0.00 C ATOM 504 OG1 THR A 33 -9.781 -9.638 4.774 1.00 0.00 O ATOM 505 CG2 THR A 33 -9.085 -10.770 6.733 1.00 0.00 C ATOM 0 H THR A 33 -7.117 -9.588 5.248 1.00 0.00 H new ATOM 0 HA THR A 33 -7.829 -12.353 4.713 1.00 0.00 H new ATOM 0 HB THR A 33 -10.019 -11.683 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.586 -9.392 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.017 -10.468 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.768 -11.733 7.133 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.316 -10.024 6.934 1.00 0.00 H new ATOM 513 N SER A 34 -8.944 -12.157 2.373 1.00 0.00 N ATOM 514 CA SER A 34 -9.221 -12.128 0.935 1.00 0.00 C ATOM 515 C SER A 34 -10.092 -10.925 0.568 1.00 0.00 C ATOM 516 O SER A 34 -10.018 -10.417 -0.552 1.00 0.00 O ATOM 517 CB SER A 34 -9.898 -13.429 0.477 1.00 0.00 C ATOM 518 OG SER A 34 -9.870 -14.419 1.493 1.00 0.00 O ATOM 0 H SER A 34 -9.310 -12.976 2.859 1.00 0.00 H new ATOM 0 HA SER A 34 -8.266 -12.035 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.931 -13.223 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.396 -13.807 -0.414 1.00 0.00 H new ATOM 0 HG SER A 34 -10.709 -14.393 1.998 1.00 0.00 H new ATOM 524 N GLN A 35 -10.911 -10.469 1.520 1.00 0.00 N ATOM 525 CA GLN A 35 -11.789 -9.327 1.299 1.00 0.00 C ATOM 526 C GLN A 35 -11.568 -8.253 2.367 1.00 0.00 C ATOM 527 O GLN A 35 -12.505 -7.837 3.053 1.00 0.00 O ATOM 528 CB GLN A 35 -13.249 -9.785 1.290 1.00 0.00 C ATOM 529 CG GLN A 35 -14.028 -9.301 0.078 1.00 0.00 C ATOM 530 CD GLN A 35 -15.276 -8.521 0.455 1.00 0.00 C ATOM 531 OE1 GLN A 35 -15.379 -7.327 0.177 1.00 0.00 O ATOM 532 NE2 GLN A 35 -16.230 -9.188 1.097 1.00 0.00 N ATOM 0 H GLN A 35 -10.981 -10.878 2.452 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.551 -8.889 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.280 -10.874 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.740 -9.426 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.383 -8.672 -0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.311 -10.158 -0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.106 -10.178 1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.086 -8.710 1.378 1.00 0.00 H new ATOM 541 N ASP A 36 -10.320 -7.804 2.499 1.00 0.00 N ATOM 542 CA ASP A 36 -9.967 -6.773 3.476 1.00 0.00 C ATOM 543 C ASP A 36 -10.577 -5.421 3.085 1.00 0.00 C ATOM 544 O ASP A 36 -11.263 -5.312 2.064 1.00 0.00 O ATOM 545 CB ASP A 36 -8.440 -6.672 3.606 1.00 0.00 C ATOM 546 CG ASP A 36 -7.997 -6.128 4.950 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.138 -6.850 5.959 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.504 -4.983 4.994 1.00 0.00 O ATOM 0 H ASP A 36 -9.535 -8.139 1.941 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.378 -7.054 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.002 -7.659 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.055 -6.029 2.815 1.00 0.00 H new ATOM 553 N LYS A 37 -10.344 -4.396 3.904 1.00 0.00 N ATOM 554 CA LYS A 37 -10.893 -3.065 3.636 1.00 0.00 C ATOM 555 C LYS A 37 -9.810 -1.989 3.700 1.00 0.00 C ATOM 556 O LYS A 37 -8.838 -2.122 4.442 1.00 0.00 O ATOM 557 CB LYS A 37 -12.015 -2.735 4.628 1.00 0.00 C ATOM 558 CG LYS A 37 -12.952 -3.900 4.930 1.00 0.00 C ATOM 559 CD LYS A 37 -14.109 -3.961 3.947 1.00 0.00 C ATOM 560 CE LYS A 37 -14.422 -5.393 3.539 1.00 0.00 C ATOM 561 NZ LYS A 37 -13.984 -5.684 2.146 1.00 0.00 N ATOM 0 H LYS A 37 -9.783 -4.459 4.753 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.301 -3.077 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.569 -2.392 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.602 -1.906 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.393 -4.835 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.341 -3.801 5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.993 -3.508 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.866 -3.374 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.929 -6.082 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.494 -5.569 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.418 -6.573 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.280 -4.908 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.948 -5.775 2.120 1.00 0.00 H new ATOM 575 N ALA A 38 -9.993 -0.926 2.909 1.00 0.00 N ATOM 576 CA ALA A 38 -9.036 0.191 2.849 1.00 0.00 C ATOM 577 C ALA A 38 -8.414 0.525 4.214 1.00 0.00 C ATOM 578 O ALA A 38 -7.201 0.396 4.386 1.00 0.00 O ATOM 579 CB ALA A 38 -9.698 1.427 2.255 1.00 0.00 C ATOM 0 H ALA A 38 -10.801 -0.813 2.296 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.220 -0.133 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.977 2.244 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.046 1.204 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.545 1.719 2.875 1.00 0.00 H new ATOM 585 N PRO A 39 -9.226 0.976 5.200 1.00 0.00 N ATOM 586 CA PRO A 39 -8.723 1.339 6.532 1.00 0.00 C ATOM 587 C PRO A 39 -7.863 0.247 7.169 1.00 0.00 C ATOM 588 O PRO A 39 -6.850 0.541 7.804 1.00 0.00 O ATOM 589 CB PRO A 39 -9.990 1.588 7.368 1.00 0.00 C ATOM 590 CG PRO A 39 -11.143 1.148 6.522 1.00 0.00 C ATOM 591 CD PRO A 39 -10.677 1.184 5.091 1.00 0.00 C ATOM 0 HA PRO A 39 -8.067 2.208 6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.956 1.027 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.081 2.642 7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.463 0.143 6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.000 1.806 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.151 0.405 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.912 2.136 4.616 1.00 0.00 H new ATOM 599 N ALA A 40 -8.263 -1.010 6.987 1.00 0.00 N ATOM 600 CA ALA A 40 -7.518 -2.138 7.536 1.00 0.00 C ATOM 601 C ALA A 40 -6.234 -2.384 6.743 1.00 0.00 C ATOM 602 O ALA A 40 -5.199 -2.732 7.316 1.00 0.00 O ATOM 603 CB ALA A 40 -8.385 -3.390 7.555 1.00 0.00 C ATOM 0 H ALA A 40 -9.099 -1.272 6.464 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.239 -1.894 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.814 -4.222 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.266 -3.213 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.697 -3.632 6.539 1.00 0.00 H new ATOM 609 N VAL A 41 -6.306 -2.193 5.423 1.00 0.00 N ATOM 610 CA VAL A 41 -5.150 -2.385 4.549 1.00 0.00 C ATOM 611 C VAL A 41 -4.000 -1.473 4.963 1.00 0.00 C ATOM 612 O VAL A 41 -2.888 -1.942 5.213 1.00 0.00 O ATOM 613 CB VAL A 41 -5.502 -2.109 3.072 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.250 -2.115 2.206 1.00 0.00 C ATOM 615 CG2 VAL A 41 -6.513 -3.122 2.561 1.00 0.00 C ATOM 0 H VAL A 41 -7.155 -1.905 4.937 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.846 -3.427 4.650 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.952 -1.118 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.524 -1.918 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.564 -1.342 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.765 -3.089 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.747 -2.908 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.095 -4.125 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.424 -3.060 3.157 1.00 0.00 H new ATOM 625 N ILE A 42 -4.277 -0.170 5.046 1.00 0.00 N ATOM 626 CA ILE A 42 -3.260 0.796 5.445 1.00 0.00 C ATOM 627 C ILE A 42 -2.791 0.517 6.870 1.00 0.00 C ATOM 628 O ILE A 42 -1.612 0.669 7.179 1.00 0.00 O ATOM 629 CB ILE A 42 -3.773 2.248 5.344 1.00 0.00 C ATOM 630 CG1 ILE A 42 -4.051 2.611 3.885 1.00 0.00 C ATOM 631 CG2 ILE A 42 -2.766 3.218 5.952 1.00 0.00 C ATOM 632 CD1 ILE A 42 -5.481 3.022 3.624 1.00 0.00 C ATOM 0 H ILE A 42 -5.191 0.235 4.843 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.423 0.685 4.756 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.704 2.325 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.389 3.425 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.807 1.756 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.147 4.236 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.612 2.971 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.819 3.141 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.603 3.265 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.149 2.202 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.724 3.896 4.228 1.00 0.00 H new ATOM 644 N ARG A 43 -3.721 0.089 7.729 1.00 0.00 N ATOM 645 CA ARG A 43 -3.394 -0.231 9.115 1.00 0.00 C ATOM 646 C ARG A 43 -2.292 -1.290 9.174 1.00 0.00 C ATOM 647 O ARG A 43 -1.320 -1.144 9.915 1.00 0.00 O ATOM 648 CB ARG A 43 -4.642 -0.717 9.862 1.00 0.00 C ATOM 649 CG ARG A 43 -4.566 -0.537 11.372 1.00 0.00 C ATOM 650 CD ARG A 43 -4.996 0.860 11.799 1.00 0.00 C ATOM 651 NE ARG A 43 -6.410 1.121 11.514 1.00 0.00 N ATOM 652 CZ ARG A 43 -7.019 2.281 11.756 1.00 0.00 C ATOM 653 NH1 ARG A 43 -6.350 3.294 12.293 1.00 0.00 N ATOM 654 NH2 ARG A 43 -8.303 2.429 11.460 1.00 0.00 N ATOM 0 H ARG A 43 -4.703 -0.043 7.486 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.030 0.674 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.512 -0.179 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.799 -1.772 9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.201 -1.277 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.546 -0.722 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.815 0.982 12.867 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.382 1.599 11.285 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.962 0.367 11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.362 3.188 12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.824 4.179 12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.824 1.655 11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.770 3.317 11.645 1.00 0.00 H new ATOM 668 N LYS A 44 -2.440 -2.348 8.372 1.00 0.00 N ATOM 669 CA LYS A 44 -1.446 -3.419 8.320 1.00 0.00 C ATOM 670 C LYS A 44 -0.173 -2.940 7.623 1.00 0.00 C ATOM 671 O LYS A 44 0.939 -3.189 8.099 1.00 0.00 O ATOM 672 CB LYS A 44 -2.012 -4.648 7.601 1.00 0.00 C ATOM 673 CG LYS A 44 -2.737 -5.610 8.529 1.00 0.00 C ATOM 674 CD LYS A 44 -3.420 -6.727 7.756 1.00 0.00 C ATOM 675 CE LYS A 44 -4.899 -6.439 7.543 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.115 -5.350 6.550 1.00 0.00 N ATOM 0 H LYS A 44 -3.238 -2.484 7.751 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.197 -3.699 9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.699 -4.319 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.198 -5.177 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.027 -6.038 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.479 -5.064 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.931 -6.854 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.306 -7.667 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.400 -7.345 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.355 -6.160 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.125 -5.298 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.810 -4.443 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.561 -5.548 5.692 1.00 0.00 H new ATOM 690 N ALA A 45 -0.339 -2.234 6.500 1.00 0.00 N ATOM 691 CA ALA A 45 0.801 -1.707 5.755 1.00 0.00 C ATOM 692 C ALA A 45 1.612 -0.742 6.622 1.00 0.00 C ATOM 693 O ALA A 45 2.841 -0.740 6.564 1.00 0.00 O ATOM 694 CB ALA A 45 0.337 -1.028 4.472 1.00 0.00 C ATOM 0 H ALA A 45 -1.248 -2.017 6.091 1.00 0.00 H new ATOM 0 HA ALA A 45 1.448 -2.541 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.201 -0.642 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.189 -1.750 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.334 -0.205 4.718 1.00 0.00 H new ATOM 700 N MET A 46 0.917 0.059 7.440 1.00 0.00 N ATOM 701 CA MET A 46 1.580 1.010 8.336 1.00 0.00 C ATOM 702 C MET A 46 2.424 0.264 9.371 1.00 0.00 C ATOM 703 O MET A 46 3.491 0.734 9.754 1.00 0.00 O ATOM 704 CB MET A 46 0.551 1.925 9.027 1.00 0.00 C ATOM 705 CG MET A 46 0.145 1.475 10.426 1.00 0.00 C ATOM 706 SD MET A 46 -1.521 1.998 10.870 1.00 0.00 S ATOM 707 CE MET A 46 -1.676 1.269 12.498 1.00 0.00 C ATOM 0 H MET A 46 -0.101 0.066 7.498 1.00 0.00 H new ATOM 0 HA MET A 46 2.240 1.640 7.740 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.963 2.932 9.088 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.342 1.983 8.404 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.208 0.388 10.486 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.853 1.876 11.152 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.604 1.605 12.960 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.687 0.183 12.411 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.832 1.575 13.116 1.00 0.00 H new ATOM 717 N ASP A 47 1.952 -0.913 9.802 1.00 0.00 N ATOM 718 CA ASP A 47 2.692 -1.725 10.771 1.00 0.00 C ATOM 719 C ASP A 47 4.059 -2.115 10.205 1.00 0.00 C ATOM 720 O ASP A 47 5.021 -2.310 10.951 1.00 0.00 O ATOM 721 CB ASP A 47 1.896 -2.980 11.150 1.00 0.00 C ATOM 722 CG ASP A 47 0.582 -2.657 11.841 1.00 0.00 C ATOM 723 OD1 ASP A 47 0.550 -1.706 12.650 1.00 0.00 O ATOM 724 OD2 ASP A 47 -0.413 -3.359 11.573 1.00 0.00 O ATOM 0 H ASP A 47 1.068 -1.320 9.497 1.00 0.00 H new ATOM 0 HA ASP A 47 2.842 -1.129 11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.695 -3.562 10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.502 -3.605 11.806 1.00 0.00 H new ATOM 729 N LYS A 48 4.140 -2.197 8.877 1.00 0.00 N ATOM 730 CA LYS A 48 5.392 -2.522 8.200 1.00 0.00 C ATOM 731 C LYS A 48 6.059 -1.243 7.671 1.00 0.00 C ATOM 732 O LYS A 48 7.240 -1.249 7.319 1.00 0.00 O ATOM 733 CB LYS A 48 5.150 -3.509 7.053 1.00 0.00 C ATOM 734 CG LYS A 48 5.011 -4.957 7.510 1.00 0.00 C ATOM 735 CD LYS A 48 6.185 -5.391 8.380 1.00 0.00 C ATOM 736 CE LYS A 48 5.800 -5.451 9.853 1.00 0.00 C ATOM 737 NZ LYS A 48 6.609 -4.512 10.687 1.00 0.00 N ATOM 0 H LYS A 48 3.351 -2.042 8.249 1.00 0.00 H new ATOM 0 HA LYS A 48 6.059 -2.994 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.246 -3.217 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.975 -3.438 6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.082 -5.074 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.944 -5.608 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.537 -6.370 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.013 -4.695 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.742 -5.210 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.934 -6.468 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.092 -5.044 11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.316 -4.038 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.983 -3.800 11.114 1.00 0.00 H new ATOM 751 N HIS A 49 5.287 -0.151 7.627 1.00 0.00 N ATOM 752 CA HIS A 49 5.767 1.137 7.160 1.00 0.00 C ATOM 753 C HIS A 49 5.498 2.219 8.206 1.00 0.00 C ATOM 754 O HIS A 49 4.930 3.266 7.891 1.00 0.00 O ATOM 755 CB HIS A 49 5.057 1.511 5.869 1.00 0.00 C ATOM 756 CG HIS A 49 5.342 0.600 4.726 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.579 -0.504 4.431 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.305 0.654 3.789 1.00 0.00 C ATOM 759 CE1 HIS A 49 5.064 -1.093 3.355 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.115 -0.409 2.943 1.00 0.00 N ATOM 0 H HIS A 49 4.309 -0.145 7.917 1.00 0.00 H new ATOM 0 HA HIS A 49 6.841 1.064 6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.982 1.523 6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.345 2.525 5.591 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.766 -0.818 4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.085 1.398 3.716 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.668 -1.984 2.890 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.690 -0.633 2.131 1.00 0.00 H new ATOM 769 N ASN A 50 5.885 1.958 9.454 1.00 0.00 N ATOM 770 CA ASN A 50 5.670 2.914 10.547 1.00 0.00 C ATOM 771 C ASN A 50 6.548 4.162 10.379 1.00 0.00 C ATOM 772 O ASN A 50 7.303 4.532 11.281 1.00 0.00 O ATOM 773 CB ASN A 50 5.946 2.261 11.912 1.00 0.00 C ATOM 774 CG ASN A 50 4.939 1.172 12.276 1.00 0.00 C ATOM 775 OD1 ASN A 50 5.301 0.001 12.355 1.00 0.00 O ATOM 776 ND2 ASN A 50 3.671 1.535 12.506 1.00 0.00 N ATOM 0 H ASN A 50 6.349 1.094 9.736 1.00 0.00 H new ATOM 0 HA ASN A 50 4.625 3.220 10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.948 1.832 11.906 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.934 3.030 12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.976 0.831 12.754 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.400 2.516 12.433 1.00 0.00 H new ATOM 783 N LEU A 51 6.438 4.805 9.216 1.00 0.00 N ATOM 784 CA LEU A 51 7.207 6.011 8.917 1.00 0.00 C ATOM 785 C LEU A 51 6.321 7.044 8.219 1.00 0.00 C ATOM 786 O LEU A 51 6.391 7.220 7.002 1.00 0.00 O ATOM 787 CB LEU A 51 8.422 5.673 8.043 1.00 0.00 C ATOM 788 CG LEU A 51 9.236 4.455 8.493 1.00 0.00 C ATOM 789 CD1 LEU A 51 9.145 3.338 7.463 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.687 4.842 8.737 1.00 0.00 C ATOM 0 H LEU A 51 5.819 4.507 8.462 1.00 0.00 H new ATOM 0 HA LEU A 51 7.565 6.434 9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.078 5.502 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.082 6.540 8.016 1.00 0.00 H new ATOM 0 HG LEU A 51 8.816 4.090 9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.730 2.483 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.104 3.040 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.536 3.690 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.249 3.964 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.119 5.235 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.734 5.605 9.514 1.00 0.00 H new ATOM 802 N GLU A 52 5.479 7.718 9.005 1.00 0.00 N ATOM 803 CA GLU A 52 4.561 8.729 8.481 1.00 0.00 C ATOM 804 C GLU A 52 3.636 8.141 7.407 1.00 0.00 C ATOM 805 O GLU A 52 3.226 8.834 6.473 1.00 0.00 O ATOM 806 CB GLU A 52 5.355 9.903 7.915 1.00 0.00 C ATOM 807 CG GLU A 52 5.840 10.879 8.977 1.00 0.00 C ATOM 808 CD GLU A 52 7.351 10.980 9.031 1.00 0.00 C ATOM 809 OE1 GLU A 52 7.989 10.051 9.572 1.00 0.00 O ATOM 810 OE2 GLU A 52 7.897 11.986 8.532 1.00 0.00 O ATOM 0 H GLU A 52 5.415 7.580 10.014 1.00 0.00 H new ATOM 0 HA GLU A 52 3.934 9.080 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.215 9.518 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.734 10.439 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.421 11.865 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.466 10.565 9.951 1.00 0.00 H new ATOM 817 N GLU A 53 3.308 6.858 7.556 1.00 0.00 N ATOM 818 CA GLU A 53 2.431 6.163 6.617 1.00 0.00 C ATOM 819 C GLU A 53 1.267 5.490 7.354 1.00 0.00 C ATOM 820 O GLU A 53 0.900 4.352 7.048 1.00 0.00 O ATOM 821 CB GLU A 53 3.229 5.120 5.821 1.00 0.00 C ATOM 822 CG GLU A 53 4.342 5.717 4.970 1.00 0.00 C ATOM 823 CD GLU A 53 5.522 4.778 4.793 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.305 4.617 5.751 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.669 4.206 3.692 1.00 0.00 O ATOM 0 H GLU A 53 3.640 6.276 8.325 1.00 0.00 H new ATOM 0 HA GLU A 53 2.018 6.897 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.662 4.400 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.546 4.569 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.942 5.978 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.687 6.643 5.430 1.00 0.00 H new ATOM 832 N GLU A 54 0.694 6.198 8.332 1.00 0.00 N ATOM 833 CA GLU A 54 -0.410 5.673 9.117 1.00 0.00 C ATOM 834 C GLU A 54 -1.698 6.470 8.874 1.00 0.00 C ATOM 835 O GLU A 54 -2.124 7.268 9.714 1.00 0.00 O ATOM 836 CB GLU A 54 -0.035 5.689 10.601 1.00 0.00 C ATOM 837 CG GLU A 54 -1.164 5.250 11.511 1.00 0.00 C ATOM 838 CD GLU A 54 -0.683 4.640 12.818 1.00 0.00 C ATOM 839 OE1 GLU A 54 0.358 3.945 12.812 1.00 0.00 O ATOM 840 OE2 GLU A 54 -1.354 4.853 13.849 1.00 0.00 O ATOM 0 H GLU A 54 0.984 7.140 8.594 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.600 4.646 8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.824 5.036 10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.275 6.696 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.798 6.109 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.783 4.523 10.985 1.00 0.00 H new ATOM 847 N GLU A 55 -2.317 6.238 7.718 1.00 0.00 N ATOM 848 CA GLU A 55 -3.561 6.914 7.353 1.00 0.00 C ATOM 849 C GLU A 55 -4.515 5.928 6.663 1.00 0.00 C ATOM 850 O GLU A 55 -4.432 5.717 5.451 1.00 0.00 O ATOM 851 CB GLU A 55 -3.278 8.112 6.439 1.00 0.00 C ATOM 852 CG GLU A 55 -2.288 9.114 7.021 1.00 0.00 C ATOM 853 CD GLU A 55 -0.982 9.170 6.250 1.00 0.00 C ATOM 854 OE1 GLU A 55 -0.241 8.165 6.255 1.00 0.00 O ATOM 855 OE2 GLU A 55 -0.697 10.223 5.640 1.00 0.00 O ATOM 0 H GLU A 55 -1.975 5.583 7.014 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.034 7.283 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.893 7.747 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.216 8.625 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.743 10.105 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.081 8.852 8.058 1.00 0.00 H new ATOM 862 N PRO A 56 -5.419 5.287 7.437 1.00 0.00 N ATOM 863 CA PRO A 56 -6.370 4.290 6.907 1.00 0.00 C ATOM 864 C PRO A 56 -7.340 4.832 5.851 1.00 0.00 C ATOM 865 O PRO A 56 -7.759 4.094 4.960 1.00 0.00 O ATOM 866 CB PRO A 56 -7.142 3.824 8.149 1.00 0.00 C ATOM 867 CG PRO A 56 -6.922 4.882 9.174 1.00 0.00 C ATOM 868 CD PRO A 56 -5.564 5.458 8.894 1.00 0.00 C ATOM 0 HA PRO A 56 -5.834 3.498 6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.203 3.705 7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.778 2.858 8.498 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.692 5.651 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.969 4.465 10.180 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.504 6.507 9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.782 4.931 9.441 1.00 0.00 H new ATOM 876 N GLU A 57 -7.709 6.102 5.962 1.00 0.00 N ATOM 877 CA GLU A 57 -8.645 6.713 5.018 1.00 0.00 C ATOM 878 C GLU A 57 -7.974 7.777 4.137 1.00 0.00 C ATOM 879 O GLU A 57 -8.613 8.756 3.742 1.00 0.00 O ATOM 880 CB GLU A 57 -9.815 7.330 5.787 1.00 0.00 C ATOM 881 CG GLU A 57 -9.396 8.462 6.708 1.00 0.00 C ATOM 882 CD GLU A 57 -9.141 8.003 8.132 1.00 0.00 C ATOM 883 OE1 GLU A 57 -10.124 7.778 8.871 1.00 0.00 O ATOM 884 OE2 GLU A 57 -7.957 7.869 8.506 1.00 0.00 O ATOM 0 H GLU A 57 -7.377 6.730 6.694 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.006 5.928 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.552 7.703 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.304 6.554 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.492 8.928 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.173 9.227 6.712 1.00 0.00 H new ATOM 891 N ASP A 58 -6.686 7.593 3.838 1.00 0.00 N ATOM 892 CA ASP A 58 -5.951 8.554 3.019 1.00 0.00 C ATOM 893 C ASP A 58 -5.150 7.895 1.891 1.00 0.00 C ATOM 894 O ASP A 58 -4.254 8.523 1.330 1.00 0.00 O ATOM 895 CB ASP A 58 -4.996 9.335 3.911 1.00 0.00 C ATOM 896 CG ASP A 58 -5.071 10.830 3.677 1.00 0.00 C ATOM 897 OD1 ASP A 58 -6.116 11.432 4.005 1.00 0.00 O ATOM 898 OD2 ASP A 58 -4.089 11.399 3.157 1.00 0.00 O ATOM 0 H ASP A 58 -6.135 6.793 4.149 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.687 9.208 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.225 9.123 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.976 8.994 3.732 1.00 0.00 H new ATOM 903 N TYR A 59 -5.436 6.633 1.574 1.00 0.00 N ATOM 904 CA TYR A 59 -4.677 5.941 0.541 1.00 0.00 C ATOM 905 C TYR A 59 -5.532 5.309 -0.551 1.00 0.00 C ATOM 906 O TYR A 59 -6.732 5.078 -0.393 1.00 0.00 O ATOM 907 CB TYR A 59 -3.850 4.845 1.182 1.00 0.00 C ATOM 908 CG TYR A 59 -2.621 5.343 1.880 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.716 6.252 2.920 1.00 0.00 C ATOM 910 CD2 TYR A 59 -1.370 4.891 1.507 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.597 6.702 3.570 1.00 0.00 C ATOM 912 CE2 TYR A 59 -0.238 5.331 2.158 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.355 6.239 3.190 1.00 0.00 C ATOM 914 OH TYR A 59 0.770 6.678 3.842 1.00 0.00 O ATOM 0 H TYR A 59 -6.174 6.080 2.010 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.061 6.703 0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.470 4.307 1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.556 4.129 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.688 6.612 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.278 4.184 0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.687 7.416 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.735 4.967 1.862 1.00 0.00 H new ATOM 0 HH TYR A 59 1.530 6.672 3.223 1.00 0.00 H new ATOM 924 N GLU A 60 -4.846 4.977 -1.640 1.00 0.00 N ATOM 925 CA GLU A 60 -5.435 4.300 -2.785 1.00 0.00 C ATOM 926 C GLU A 60 -4.749 2.949 -2.926 1.00 0.00 C ATOM 927 O GLU A 60 -3.551 2.830 -2.644 1.00 0.00 O ATOM 928 CB GLU A 60 -5.259 5.121 -4.066 1.00 0.00 C ATOM 929 CG GLU A 60 -6.552 5.743 -4.563 1.00 0.00 C ATOM 930 CD GLU A 60 -6.586 5.897 -6.070 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.893 4.905 -6.763 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.301 7.010 -6.560 1.00 0.00 O ATOM 0 H GLU A 60 -3.851 5.174 -1.751 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.506 4.175 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.530 5.911 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.849 4.480 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.393 5.126 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.682 6.721 -4.099 1.00 0.00 H new ATOM 939 N LEU A 61 -5.491 1.925 -3.313 1.00 0.00 N ATOM 940 CA LEU A 61 -4.907 0.597 -3.417 1.00 0.00 C ATOM 941 C LEU A 61 -4.782 0.095 -4.853 1.00 0.00 C ATOM 942 O LEU A 61 -5.715 0.187 -5.654 1.00 0.00 O ATOM 943 CB LEU A 61 -5.721 -0.386 -2.582 1.00 0.00 C ATOM 944 CG LEU A 61 -4.963 -1.019 -1.418 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.495 -0.508 -0.089 1.00 0.00 C ATOM 946 CD2 LEU A 61 -5.055 -2.535 -1.492 1.00 0.00 C ATOM 0 H LEU A 61 -6.480 1.983 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.889 0.669 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.596 0.131 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.086 -1.180 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.913 -0.734 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.941 -0.972 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.374 0.574 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.552 -0.760 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.510 -2.974 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.101 -2.839 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.620 -2.881 -2.430 1.00 0.00 H new ATOM 958 N LEU A 62 -3.611 -0.471 -5.143 1.00 0.00 N ATOM 959 CA LEU A 62 -3.306 -1.044 -6.451 1.00 0.00 C ATOM 960 C LEU A 62 -2.811 -2.478 -6.264 1.00 0.00 C ATOM 961 O LEU A 62 -2.351 -2.825 -5.180 1.00 0.00 O ATOM 962 CB LEU A 62 -2.236 -0.213 -7.177 1.00 0.00 C ATOM 963 CG LEU A 62 -2.424 1.308 -7.128 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.885 1.882 -5.825 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.737 1.965 -8.316 1.00 0.00 C ATOM 0 H LEU A 62 -2.845 -0.545 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.210 -1.038 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.263 -0.454 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.209 -0.523 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.492 1.519 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.031 2.962 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.417 1.437 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.821 1.658 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.879 3.045 -8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.671 1.738 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.168 1.584 -9.242 1.00 0.00 H new ATOM 977 N GLN A 63 -2.903 -3.313 -7.299 1.00 0.00 N ATOM 978 CA GLN A 63 -2.451 -4.703 -7.178 1.00 0.00 C ATOM 979 C GLN A 63 -1.753 -5.208 -8.435 1.00 0.00 C ATOM 980 O GLN A 63 -2.172 -4.929 -9.558 1.00 0.00 O ATOM 981 CB GLN A 63 -3.615 -5.640 -6.825 1.00 0.00 C ATOM 982 CG GLN A 63 -3.364 -6.481 -5.582 1.00 0.00 C ATOM 983 CD GLN A 63 -2.726 -7.823 -5.894 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.569 -7.890 -6.293 1.00 0.00 O ATOM 985 NE2 GLN A 63 -3.478 -8.900 -5.711 1.00 0.00 N ATOM 0 H GLN A 63 -3.278 -3.061 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.723 -4.710 -6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.516 -5.046 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.806 -6.302 -7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.719 -5.928 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.309 -6.645 -5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.437 -8.802 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.097 -9.826 -5.904 1.00 0.00 H new ATOM 994 N ILE A 64 -0.697 -5.983 -8.208 1.00 0.00 N ATOM 995 CA ILE A 64 0.088 -6.591 -9.271 1.00 0.00 C ATOM 996 C ILE A 64 -0.170 -8.099 -9.279 1.00 0.00 C ATOM 997 O ILE A 64 0.081 -8.781 -8.278 1.00 0.00 O ATOM 998 CB ILE A 64 1.597 -6.339 -9.068 1.00 0.00 C ATOM 999 CG1 ILE A 64 1.906 -4.841 -9.116 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.409 -7.091 -10.116 1.00 0.00 C ATOM 1001 CD1 ILE A 64 2.773 -4.367 -7.970 1.00 0.00 C ATOM 0 H ILE A 64 -0.361 -6.207 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.210 -6.144 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 64 1.878 -6.712 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.404 -4.611 -10.058 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.969 -4.284 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.471 -6.902 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.214 -8.160 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.124 -6.750 -11.111 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.952 -3.296 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.267 -4.566 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.725 -4.897 -7.991 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.685 -8.614 -10.393 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.994 -10.032 -10.507 1.00 0.00 C ATOM 1015 C LEU A 65 -0.449 -10.611 -11.819 1.00 0.00 C ATOM 1016 O LEU A 65 0.494 -10.071 -12.401 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.516 -10.225 -10.398 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.150 -9.669 -9.112 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.055 -8.481 -9.412 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.934 -10.754 -8.391 1.00 0.00 C ATOM 0 H LEU A 65 -0.896 -8.068 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.509 -10.574 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.990 -9.747 -11.255 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.738 -11.290 -10.464 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.342 -9.327 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.488 -8.110 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.472 -7.689 -9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.853 -8.793 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.375 -10.342 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.725 -11.126 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.265 -11.573 -8.129 1.00 0.00 H new ATOM 1032 N SER A 66 -1.047 -11.708 -12.280 1.00 0.00 N ATOM 1033 CA SER A 66 -0.634 -12.359 -13.522 1.00 0.00 C ATOM 1034 C SER A 66 -1.622 -12.025 -14.631 1.00 0.00 C ATOM 1035 O SER A 66 -1.313 -11.245 -15.534 1.00 0.00 O ATOM 1036 CB SER A 66 -0.530 -13.877 -13.330 1.00 0.00 C ATOM 1037 OG SER A 66 -1.708 -14.402 -12.734 1.00 0.00 O ATOM 0 H SER A 66 -1.825 -12.168 -11.808 1.00 0.00 H new ATOM 0 HA SER A 66 0.352 -11.988 -13.803 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.362 -14.357 -14.294 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.332 -14.109 -12.704 1.00 0.00 H new ATOM 0 HG SER A 66 -1.615 -15.371 -12.625 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.825 -12.588 -14.531 1.00 0.00 N ATOM 1044 CA ASP A 67 -3.880 -12.315 -15.503 1.00 0.00 C ATOM 1045 C ASP A 67 -4.282 -10.839 -15.434 1.00 0.00 C ATOM 1046 O ASP A 67 -4.823 -10.284 -16.392 1.00 0.00 O ATOM 1047 CB ASP A 67 -5.091 -13.213 -15.247 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.746 -14.688 -15.328 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -4.833 -15.256 -16.436 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -4.383 -15.272 -14.284 1.00 0.00 O ATOM 0 H ASP A 67 -3.092 -13.234 -13.788 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.502 -12.531 -16.502 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.501 -12.992 -14.262 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.869 -12.984 -15.975 1.00 0.00 H new ATOM 1055 N ASP A 68 -3.983 -10.209 -14.293 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.271 -8.800 -14.072 1.00 0.00 C ATOM 1057 C ASP A 68 -2.982 -8.085 -13.662 1.00 0.00 C ATOM 1058 O ASP A 68 -2.944 -7.377 -12.654 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.356 -8.626 -12.995 1.00 0.00 C ATOM 1060 CG ASP A 68 -5.956 -9.942 -12.533 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -6.946 -10.392 -13.146 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -5.433 -10.523 -11.559 1.00 0.00 O ATOM 0 H ASP A 68 -3.534 -10.668 -13.500 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.650 -8.361 -14.995 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.927 -8.108 -12.137 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.150 -7.990 -13.387 1.00 0.00 H new ATOM 1067 N ARG A 69 -1.927 -8.323 -14.458 1.00 0.00 N ATOM 1068 CA ARG A 69 -0.580 -7.763 -14.243 1.00 0.00 C ATOM 1069 C ARG A 69 -0.554 -6.626 -13.221 1.00 0.00 C ATOM 1070 O ARG A 69 0.102 -6.741 -12.190 1.00 0.00 O ATOM 1071 CB ARG A 69 0.039 -7.295 -15.570 1.00 0.00 C ATOM 1072 CG ARG A 69 -0.963 -6.777 -16.603 1.00 0.00 C ATOM 1073 CD ARG A 69 -0.986 -7.635 -17.865 1.00 0.00 C ATOM 1074 NE ARG A 69 0.361 -7.961 -18.345 1.00 0.00 N ATOM 1075 CZ ARG A 69 0.944 -9.157 -18.211 1.00 0.00 C ATOM 1076 NH1 ARG A 69 0.325 -10.152 -17.586 1.00 0.00 N ATOM 1077 NH2 ARG A 69 2.159 -9.353 -18.701 1.00 0.00 N ATOM 0 H ARG A 69 -1.986 -8.920 -15.283 1.00 0.00 H new ATOM 0 HA ARG A 69 0.019 -8.574 -13.830 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.761 -6.506 -15.359 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.593 -8.125 -16.008 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.959 -6.756 -16.162 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.711 -5.750 -16.868 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.530 -8.558 -17.664 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.530 -7.109 -18.649 1.00 0.00 H new ATOM 0 HE ARG A 69 0.889 -7.225 -18.813 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.608 -10.010 -17.200 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.783 -11.059 -17.492 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.645 -8.594 -19.178 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.608 -10.263 -18.602 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.273 -5.548 -13.502 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.336 -4.408 -12.592 1.00 0.00 C ATOM 1093 C LYS A 70 -2.685 -3.699 -12.705 1.00 0.00 C ATOM 1094 O LYS A 70 -3.185 -3.467 -13.808 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.202 -3.424 -12.877 1.00 0.00 C ATOM 1096 CG LYS A 70 1.019 -3.618 -11.994 1.00 0.00 C ATOM 1097 CD LYS A 70 2.053 -4.509 -12.663 1.00 0.00 C ATOM 1098 CE LYS A 70 2.980 -3.708 -13.561 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.222 -3.284 -12.852 1.00 0.00 N ATOM 0 H LYS A 70 -1.823 -5.437 -14.354 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.224 -4.784 -11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.097 -3.522 -13.920 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.575 -2.408 -12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.464 -2.649 -11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.716 -4.059 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.638 -5.024 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.548 -5.276 -13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.247 -4.307 -14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.455 -2.827 -13.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.825 -2.741 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.970 -2.691 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.738 -4.125 -12.523 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.269 -3.364 -11.557 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.564 -2.686 -11.514 1.00 0.00 C ATOM 1115 C LEU A 71 -4.643 -1.759 -10.297 1.00 0.00 C ATOM 1116 O LEU A 71 -4.015 -2.023 -9.271 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.696 -3.725 -11.487 1.00 0.00 C ATOM 1118 CG LEU A 71 -6.173 -4.161 -10.096 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -7.660 -4.481 -10.122 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -5.377 -5.362 -9.604 1.00 0.00 C ATOM 0 H LEU A 71 -2.864 -3.552 -10.640 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.675 -2.074 -12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.549 -3.319 -12.031 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.364 -4.610 -12.030 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.007 -3.336 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.983 -4.789 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.217 -3.595 -10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.846 -5.288 -10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.732 -5.654 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.507 -6.193 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.321 -5.100 -9.547 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.405 -0.671 -10.415 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.540 0.280 -9.318 1.00 0.00 C ATOM 1134 C LYS A 72 -7.000 0.650 -9.070 1.00 0.00 C ATOM 1135 O LYS A 72 -7.765 0.879 -10.008 1.00 0.00 O ATOM 1136 CB LYS A 72 -4.710 1.532 -9.614 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.181 2.780 -8.884 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.547 4.038 -9.461 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.110 5.002 -8.368 1.00 0.00 C ATOM 1140 NZ LYS A 72 -4.534 6.404 -8.656 1.00 0.00 N ATOM 0 H LYS A 72 -5.933 -0.430 -11.254 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.167 -0.193 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.672 1.338 -9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.731 1.723 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.266 2.854 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.933 2.699 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.686 3.764 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.259 4.534 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.532 4.684 -7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.026 4.965 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.712 7.037 -8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.928 6.457 -9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.258 6.696 -7.969 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.367 0.712 -7.792 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.727 1.060 -7.392 1.00 0.00 C ATOM 1156 C ILE A 73 -8.714 2.181 -6.349 1.00 0.00 C ATOM 1157 O ILE A 73 -7.834 2.226 -5.487 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.477 -0.171 -6.831 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.644 -1.236 -7.921 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.833 0.217 -6.247 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.506 -0.797 -9.089 1.00 0.00 C ATOM 0 H ILE A 73 -6.737 0.524 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.253 1.409 -8.281 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.877 -0.587 -6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.659 -1.515 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.081 -2.130 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.332 -0.673 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.689 0.931 -5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.448 0.670 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.574 -1.607 -9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.504 -0.546 -8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.060 0.078 -9.562 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.692 3.111 -6.432 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.810 4.255 -5.512 1.00 0.00 C ATOM 1175 C PRO A 74 -9.730 3.869 -4.029 1.00 0.00 C ATOM 1176 O PRO A 74 -9.626 2.692 -3.676 1.00 0.00 O ATOM 1177 CB PRO A 74 -11.196 4.847 -5.833 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.858 3.871 -6.750 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.756 3.132 -7.445 1.00 0.00 C ATOM 0 HA PRO A 74 -8.983 4.950 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.781 4.987 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.103 5.825 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.495 3.184 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.496 4.385 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.062 2.126 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.439 3.641 -8.355 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.776 4.891 -3.169 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.704 4.717 -1.712 1.00 0.00 C ATOM 1189 C GLU A 75 -10.627 3.608 -1.193 1.00 0.00 C ATOM 1190 O GLU A 75 -10.381 3.055 -0.122 1.00 0.00 O ATOM 1191 CB GLU A 75 -10.045 6.035 -1.009 1.00 0.00 C ATOM 1192 CG GLU A 75 -9.009 7.132 -1.211 1.00 0.00 C ATOM 1193 CD GLU A 75 -8.819 7.987 0.027 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -8.121 7.537 0.957 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -9.371 9.106 0.065 1.00 0.00 O ATOM 0 H GLU A 75 -9.864 5.864 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.681 4.418 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.010 6.389 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.156 5.847 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.056 6.681 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.314 7.766 -2.043 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.684 3.280 -1.942 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.621 2.231 -1.525 1.00 0.00 C ATOM 1204 C ASN A 76 -12.039 0.831 -1.774 1.00 0.00 C ATOM 1205 O ASN A 76 -12.638 0.007 -2.471 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.978 2.377 -2.236 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.856 2.750 -3.707 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -13.705 1.882 -4.564 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -13.918 4.045 -4.012 1.00 0.00 N ATOM 0 H ASN A 76 -11.912 3.721 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.781 2.350 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.526 1.439 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.567 3.138 -1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.839 4.344 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.044 4.737 -3.274 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.868 0.567 -1.183 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.200 -0.729 -1.322 1.00 0.00 C ATOM 1218 C ALA A 77 -11.077 -1.883 -0.826 1.00 0.00 C ATOM 1219 O ALA A 77 -10.864 -3.037 -1.201 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.865 -0.721 -0.588 1.00 0.00 C ATOM 0 H ALA A 77 -10.363 1.237 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.020 -0.891 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.382 -1.691 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.224 0.055 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.033 -0.521 0.470 1.00 0.00 H new ATOM 1226 N ASN A 78 -12.072 -1.557 0.004 1.00 0.00 N ATOM 1227 CA ASN A 78 -13.003 -2.550 0.542 1.00 0.00 C ATOM 1228 C ASN A 78 -13.501 -3.486 -0.564 1.00 0.00 C ATOM 1229 O ASN A 78 -13.489 -4.707 -0.410 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.183 -1.826 1.212 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.515 -2.545 1.050 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.639 -3.730 1.355 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.521 -1.827 0.566 1.00 0.00 N ATOM 0 H ASN A 78 -12.253 -0.604 0.319 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.486 -3.160 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.970 -1.710 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.268 -0.824 0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.437 -2.256 0.435 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.378 -0.846 0.325 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.932 -2.894 -1.674 1.00 0.00 N ATOM 1241 CA VAL A 79 -14.434 -3.656 -2.819 1.00 0.00 C ATOM 1242 C VAL A 79 -13.287 -4.155 -3.700 1.00 0.00 C ATOM 1243 O VAL A 79 -13.388 -5.208 -4.332 1.00 0.00 O ATOM 1244 CB VAL A 79 -15.399 -2.810 -3.678 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -16.332 -3.705 -4.481 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -16.193 -1.844 -2.805 1.00 0.00 C ATOM 0 H VAL A 79 -13.945 -1.883 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.974 -4.512 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.805 -2.224 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -17.003 -3.088 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -15.745 -4.345 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -16.917 -4.324 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.866 -1.258 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.774 -2.407 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.507 -1.175 -2.285 1.00 0.00 H new ATOM 1256 N PHE A 80 -12.198 -3.386 -3.732 1.00 0.00 N ATOM 1257 CA PHE A 80 -11.016 -3.721 -4.522 1.00 0.00 C ATOM 1258 C PHE A 80 -10.480 -5.118 -4.185 1.00 0.00 C ATOM 1259 O PHE A 80 -10.083 -5.866 -5.080 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.944 -2.654 -4.278 1.00 0.00 C ATOM 1261 CG PHE A 80 -8.610 -2.937 -4.900 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -8.506 -3.514 -6.155 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -7.453 -2.598 -4.228 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -7.270 -3.743 -6.722 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -6.217 -2.829 -4.785 1.00 0.00 C ATOM 1266 CZ PHE A 80 -6.122 -3.399 -6.033 1.00 0.00 C ATOM 0 H PHE A 80 -12.112 -2.514 -3.210 1.00 0.00 H new ATOM 0 HA PHE A 80 -11.291 -3.738 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -10.310 -1.700 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.808 -2.537 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.401 -3.787 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.519 -2.145 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.199 -4.190 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.322 -2.563 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.152 -3.578 -6.474 1.00 0.00 H new ATOM 1276 N TYR A 81 -10.470 -5.465 -2.895 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.980 -6.772 -2.455 1.00 0.00 C ATOM 1278 C TYR A 81 -10.846 -7.913 -2.993 1.00 0.00 C ATOM 1279 O TYR A 81 -10.345 -9.008 -3.248 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.912 -6.831 -0.930 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.553 -6.463 -0.381 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -8.054 -5.176 -0.522 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -7.769 -7.405 0.269 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -6.811 -4.838 -0.029 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -6.524 -7.074 0.763 1.00 0.00 C ATOM 1286 CZ TYR A 81 -6.050 -5.789 0.613 1.00 0.00 C ATOM 1287 OH TYR A 81 -4.806 -5.454 1.102 1.00 0.00 O ATOM 0 H TYR A 81 -10.795 -4.861 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.976 -6.899 -2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.660 -6.157 -0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.170 -7.837 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.648 -4.428 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.139 -8.412 0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.436 -3.832 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.924 -7.819 1.265 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.154 -5.461 0.370 1.00 0.00 H new ATOM 1297 N ALA A 82 -12.140 -7.651 -3.175 1.00 0.00 N ATOM 1298 CA ALA A 82 -13.062 -8.661 -3.692 1.00 0.00 C ATOM 1299 C ALA A 82 -13.062 -8.706 -5.229 1.00 0.00 C ATOM 1300 O ALA A 82 -13.963 -9.292 -5.834 1.00 0.00 O ATOM 1301 CB ALA A 82 -14.468 -8.398 -3.170 1.00 0.00 C ATOM 0 H ALA A 82 -12.573 -6.750 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.721 -9.634 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.148 -9.155 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.465 -8.439 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.798 -7.411 -3.495 1.00 0.00 H new ATOM 1307 N MET A 83 -12.055 -8.086 -5.856 1.00 0.00 N ATOM 1308 CA MET A 83 -11.960 -8.062 -7.316 1.00 0.00 C ATOM 1309 C MET A 83 -10.583 -8.517 -7.807 1.00 0.00 C ATOM 1310 O MET A 83 -10.486 -9.334 -8.724 1.00 0.00 O ATOM 1311 CB MET A 83 -12.267 -6.654 -7.842 1.00 0.00 C ATOM 1312 CG MET A 83 -13.702 -6.212 -7.599 1.00 0.00 C ATOM 1313 SD MET A 83 -14.891 -7.112 -8.615 1.00 0.00 S ATOM 1314 CE MET A 83 -14.648 -6.325 -10.205 1.00 0.00 C ATOM 0 H MET A 83 -11.299 -7.597 -5.376 1.00 0.00 H new ATOM 0 HA MET A 83 -12.697 -8.764 -7.704 1.00 0.00 H new ATOM 0 HB2 MET A 83 -11.591 -5.943 -7.367 1.00 0.00 H new ATOM 0 HB3 MET A 83 -12.062 -6.622 -8.912 1.00 0.00 H new ATOM 0 HG2 MET A 83 -13.948 -6.355 -6.547 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.789 -5.145 -7.805 1.00 0.00 H new ATOM 0 HE1 MET A 83 -15.430 -6.646 -10.893 1.00 0.00 H new ATOM 0 HE2 MET A 83 -14.691 -5.242 -10.086 1.00 0.00 H new ATOM 0 HE3 MET A 83 -13.674 -6.607 -10.606 1.00 0.00 H new ATOM 1324 N ASN A 84 -9.522 -7.975 -7.208 1.00 0.00 N ATOM 1325 CA ASN A 84 -8.151 -8.318 -7.605 1.00 0.00 C ATOM 1326 C ASN A 84 -7.685 -9.662 -7.026 1.00 0.00 C ATOM 1327 O ASN A 84 -6.908 -10.369 -7.667 1.00 0.00 O ATOM 1328 CB ASN A 84 -7.179 -7.207 -7.181 1.00 0.00 C ATOM 1329 CG ASN A 84 -6.764 -7.313 -5.725 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -5.915 -8.124 -5.367 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -7.366 -6.502 -4.873 1.00 0.00 N ATOM 0 H ASN A 84 -9.583 -7.298 -6.448 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.154 -8.414 -8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.291 -7.248 -7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.646 -6.237 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.130 -6.537 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.067 -5.841 -5.207 1.00 0.00 H new ATOM 1338 N SER A 85 -8.136 -9.995 -5.810 1.00 0.00 N ATOM 1339 CA SER A 85 -7.734 -11.247 -5.147 1.00 0.00 C ATOM 1340 C SER A 85 -8.133 -12.483 -5.967 1.00 0.00 C ATOM 1341 O SER A 85 -9.161 -13.108 -5.699 1.00 0.00 O ATOM 1342 CB SER A 85 -8.349 -11.339 -3.744 1.00 0.00 C ATOM 1343 OG SER A 85 -8.070 -10.175 -2.981 1.00 0.00 O ATOM 0 H SER A 85 -8.777 -9.419 -5.265 1.00 0.00 H new ATOM 0 HA SER A 85 -6.647 -11.230 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.428 -11.473 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.957 -12.216 -3.230 1.00 0.00 H new ATOM 0 HG SER A 85 -8.910 -9.729 -2.745 1.00 0.00 H new ATOM 1349 N THR A 86 -7.316 -12.829 -6.970 1.00 0.00 N ATOM 1350 CA THR A 86 -7.591 -13.988 -7.824 1.00 0.00 C ATOM 1351 C THR A 86 -6.421 -14.985 -7.846 1.00 0.00 C ATOM 1352 O THR A 86 -6.641 -16.194 -7.942 1.00 0.00 O ATOM 1353 CB THR A 86 -7.936 -13.533 -9.250 1.00 0.00 C ATOM 1354 OG1 THR A 86 -8.554 -14.583 -9.975 1.00 0.00 O ATOM 1355 CG2 THR A 86 -6.745 -13.058 -10.060 1.00 0.00 C ATOM 0 H THR A 86 -6.462 -12.324 -7.208 1.00 0.00 H new ATOM 0 HA THR A 86 -8.449 -14.508 -7.397 1.00 0.00 H new ATOM 0 HB THR A 86 -8.608 -12.686 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.768 -14.274 -10.880 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.078 -12.756 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.280 -12.209 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.021 -13.867 -10.151 1.00 0.00 H new ATOM 1363 N ALA A 87 -5.184 -14.482 -7.762 1.00 0.00 N ATOM 1364 CA ALA A 87 -4.002 -15.346 -7.777 1.00 0.00 C ATOM 1365 C ALA A 87 -2.865 -14.754 -6.943 1.00 0.00 C ATOM 1366 O ALA A 87 -2.609 -15.198 -5.822 1.00 0.00 O ATOM 1367 CB ALA A 87 -3.550 -15.594 -9.212 1.00 0.00 C ATOM 0 H ALA A 87 -4.978 -13.486 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.274 -16.300 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.670 -16.238 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.353 -16.078 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.303 -14.644 -9.685 1.00 0.00 H new ATOM 1373 N ASN A 88 -2.190 -13.750 -7.499 1.00 0.00 N ATOM 1374 CA ASN A 88 -1.080 -13.086 -6.811 1.00 0.00 C ATOM 1375 C ASN A 88 -1.607 -12.086 -5.780 1.00 0.00 C ATOM 1376 O ASN A 88 -2.781 -11.710 -5.815 1.00 0.00 O ATOM 1377 CB ASN A 88 -0.180 -12.369 -7.828 1.00 0.00 C ATOM 1378 CG ASN A 88 1.165 -11.957 -7.241 1.00 0.00 C ATOM 1379 OD1 ASN A 88 1.556 -12.424 -6.170 1.00 0.00 O ATOM 1380 ND2 ASN A 88 1.886 -11.080 -7.936 1.00 0.00 N ATOM 0 H ASN A 88 -2.392 -13.376 -8.426 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.494 -13.844 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.013 -13.024 -8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.695 -11.484 -8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.794 -10.774 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.531 -10.714 -8.819 1.00 0.00 H new ATOM 1387 N TYR A 89 -0.740 -11.653 -4.864 1.00 0.00 N ATOM 1388 CA TYR A 89 -1.143 -10.694 -3.838 1.00 0.00 C ATOM 1389 C TYR A 89 -0.063 -9.632 -3.600 1.00 0.00 C ATOM 1390 O TYR A 89 0.248 -9.285 -2.456 1.00 0.00 O ATOM 1391 CB TYR A 89 -1.503 -11.421 -2.535 1.00 0.00 C ATOM 1392 CG TYR A 89 -2.892 -11.093 -2.024 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -3.437 -9.824 -2.190 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -3.659 -12.055 -1.380 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -4.704 -9.525 -1.728 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -4.929 -11.763 -0.918 1.00 0.00 C ATOM 1397 CZ TYR A 89 -5.446 -10.498 -1.094 1.00 0.00 C ATOM 1398 OH TYR A 89 -6.709 -10.204 -0.637 1.00 0.00 O ATOM 0 H TYR A 89 0.235 -11.948 -4.812 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.031 -10.173 -4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.428 -12.496 -2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.772 -11.161 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.860 -9.059 -2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.257 -13.047 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.111 -8.534 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.513 -12.523 -0.421 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.312 -10.080 -1.399 1.00 0.00 H new ATOM 1408 N ASP A 90 0.484 -9.099 -4.695 1.00 0.00 N ATOM 1409 CA ASP A 90 1.504 -8.055 -4.629 1.00 0.00 C ATOM 1410 C ASP A 90 0.862 -6.719 -4.958 1.00 0.00 C ATOM 1411 O ASP A 90 0.726 -6.349 -6.122 1.00 0.00 O ATOM 1412 CB ASP A 90 2.643 -8.374 -5.599 1.00 0.00 C ATOM 1413 CG ASP A 90 3.835 -7.458 -5.433 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.312 -7.308 -4.293 1.00 0.00 O ATOM 1415 OD2 ASP A 90 4.297 -6.895 -6.447 1.00 0.00 O ATOM 0 H ASP A 90 0.234 -9.377 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 90 1.926 -8.007 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.961 -9.406 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.274 -8.299 -6.622 1.00 0.00 H new ATOM 1420 N PHE A 91 0.415 -6.025 -3.921 1.00 0.00 N ATOM 1421 CA PHE A 91 -0.281 -4.762 -4.096 1.00 0.00 C ATOM 1422 C PHE A 91 0.544 -3.533 -3.738 1.00 0.00 C ATOM 1423 O PHE A 91 1.504 -3.591 -2.970 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.582 -4.817 -3.299 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.536 -4.168 -1.961 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -1.083 -4.881 -0.877 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -1.974 -2.869 -1.782 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -1.063 -4.319 0.375 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -1.951 -2.290 -0.529 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.497 -3.018 0.554 1.00 0.00 C ATOM 0 H PHE A 91 0.523 -6.317 -2.950 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.486 -4.643 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.369 -4.345 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.865 -5.862 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.739 -5.896 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.336 -2.304 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.709 -4.892 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.287 -1.272 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.481 -2.572 1.538 1.00 0.00 H new ATOM 1440 N VAL A 92 0.124 -2.414 -4.319 1.00 0.00 N ATOM 1441 CA VAL A 92 0.766 -1.125 -4.105 1.00 0.00 C ATOM 1442 C VAL A 92 -0.126 -0.224 -3.254 1.00 0.00 C ATOM 1443 O VAL A 92 -1.316 -0.064 -3.537 1.00 0.00 O ATOM 1444 CB VAL A 92 1.078 -0.417 -5.442 1.00 0.00 C ATOM 1445 CG1 VAL A 92 1.865 0.863 -5.211 1.00 0.00 C ATOM 1446 CG2 VAL A 92 1.833 -1.347 -6.383 1.00 0.00 C ATOM 0 H VAL A 92 -0.674 -2.377 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 92 1.706 -1.311 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 92 0.130 -0.152 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.071 1.341 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.283 1.540 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.806 0.627 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.042 -0.827 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.771 -1.651 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.227 -2.230 -6.586 1.00 0.00 H new ATOM 1456 N LEU A 93 0.459 0.360 -2.218 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.263 1.248 -1.320 1.00 0.00 C ATOM 1458 C LEU A 93 0.131 2.699 -1.594 1.00 0.00 C ATOM 1459 O LEU A 93 1.108 3.208 -1.040 1.00 0.00 O ATOM 1460 CB LEU A 93 0.033 0.858 0.133 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.439 1.852 1.188 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -1.933 1.700 1.436 1.00 0.00 C ATOM 1463 CD2 LEU A 93 0.339 1.670 2.483 1.00 0.00 C ATOM 0 H LEU A 93 1.442 0.232 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.335 1.152 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.432 -0.107 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.109 0.722 0.242 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.253 2.860 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.251 2.418 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.476 1.884 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.143 0.689 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.013 2.389 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.188 0.658 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.400 1.832 2.296 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.624 3.353 -2.476 1.00 0.00 N ATOM 1476 CA LYS A 94 -0.349 4.738 -2.853 1.00 0.00 C ATOM 1477 C LYS A 94 -1.300 5.710 -2.159 1.00 0.00 C ATOM 1478 O LYS A 94 -2.505 5.690 -2.398 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.455 4.900 -4.373 1.00 0.00 C ATOM 1480 CG LYS A 94 0.741 4.345 -5.129 1.00 0.00 C ATOM 1481 CD LYS A 94 0.575 4.505 -6.633 1.00 0.00 C ATOM 1482 CE LYS A 94 1.178 5.810 -7.130 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.647 5.697 -7.359 1.00 0.00 N ATOM 0 H LYS A 94 -1.433 2.944 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 94 0.665 4.974 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.358 4.399 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.565 5.958 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.647 4.858 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.868 3.290 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.050 3.667 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.484 4.473 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.688 6.105 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.984 6.599 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.988 6.546 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.135 5.609 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.844 4.856 -7.939 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.743 6.569 -1.306 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.532 7.559 -0.579 1.00 0.00 C ATOM 1499 C LYS A 95 -2.144 8.582 -1.538 1.00 0.00 C ATOM 1500 O LYS A 95 -1.494 9.030 -2.484 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.654 8.252 0.469 1.00 0.00 C ATOM 1502 CG LYS A 95 -1.284 9.480 1.111 1.00 0.00 C ATOM 1503 CD LYS A 95 -0.719 9.753 2.501 1.00 0.00 C ATOM 1504 CE LYS A 95 0.804 9.680 2.536 1.00 0.00 C ATOM 1505 NZ LYS A 95 1.308 9.251 3.872 1.00 0.00 N ATOM 0 H LYS A 95 0.256 6.598 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.352 7.050 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.410 7.534 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.286 8.545 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.115 10.348 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.363 9.340 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.040 10.740 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.131 9.030 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.152 8.981 1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.220 10.656 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.346 9.197 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.012 9.940 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.918 8.316 4.106 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.399 8.941 -1.286 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.111 9.903 -2.119 1.00 0.00 C ATOM 1521 C ARG A 96 -3.702 11.335 -1.765 1.00 0.00 C ATOM 1522 O ARG A 96 -3.962 11.810 -0.657 1.00 0.00 O ATOM 1523 CB ARG A 96 -5.624 9.714 -1.952 1.00 0.00 C ATOM 1524 CG ARG A 96 -6.464 10.776 -2.648 1.00 0.00 C ATOM 1525 CD ARG A 96 -6.925 11.850 -1.674 1.00 0.00 C ATOM 1526 NE ARG A 96 -7.585 11.276 -0.496 1.00 0.00 N ATOM 1527 CZ ARG A 96 -7.230 11.520 0.768 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -6.211 12.322 1.051 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -7.899 10.946 1.757 1.00 0.00 N ATOM 0 H ARG A 96 -3.946 8.577 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.847 9.728 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.902 8.734 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.864 9.715 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.883 11.234 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.332 10.308 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.068 12.444 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.612 12.528 -2.180 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.371 10.646 -0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.685 12.764 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.954 12.497 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.679 10.322 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.634 11.128 2.725 1.00 0.00 H new ATOM 1543 N THR A 97 -3.056 12.015 -2.713 1.00 0.00 N ATOM 1544 CA THR A 97 -2.606 13.392 -2.506 1.00 0.00 C ATOM 1545 C THR A 97 -2.585 14.172 -3.824 1.00 0.00 C ATOM 1546 O THR A 97 -2.241 13.574 -4.868 1.00 0.00 O ATOM 1547 CB THR A 97 -1.215 13.408 -1.853 1.00 0.00 C ATOM 1548 OG1 THR A 97 -0.815 14.734 -1.546 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.131 12.789 -2.711 1.00 0.00 C ATOM 1550 OXT THR A 97 -2.912 15.377 -3.798 1.00 0.00 O ATOM 0 H THR A 97 -2.833 11.634 -3.632 1.00 0.00 H new ATOM 0 HA THR A 97 -3.315 13.880 -1.837 1.00 0.00 H new ATOM 0 HB THR A 97 -1.323 12.807 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.072 14.720 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.822 12.837 -2.184 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.380 11.748 -2.917 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.054 13.336 -3.651 1.00 0.00 H new