USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 593 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 13 MET CE :methyl -166:sc= -0.504 (180deg=-1.18) USER MOD Set 1.2: A 42 ASN : amide:sc= 1.06 K(o=0.56,f=-1.2) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 15 CYS SG : rot 180:sc= -0.15 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0863) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.208 (180deg=-0.00617) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 18 CYS SG : rot -100:sc= -0.26 USER MOD Single : A 20 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.555) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc= 0 USER MOD Single : A 27 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= -0.0682 (180deg=-0.0862) USER MOD Single : A 29 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=-0.11) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 100:sc= -0.283 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -24:sc= 0.917 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.49 (180deg=0.224) USER MOD Single : A 45 HIS : no HE2:sc= 0.307 K(o=0.31,f=-4.3!) USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= 0.854 (180deg=-0.204) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.69) USER MOD Single : A 61 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.987 -2.141 -16.918 1.00 9.88 N ATOM 2 CA MET A 1 3.708 -1.053 -17.605 1.00 8.56 C ATOM 3 C MET A 1 2.888 0.217 -17.408 1.00 7.25 C ATOM 4 O MET A 1 1.708 0.096 -17.086 1.00 7.94 O ATOM 5 CB MET A 1 3.888 -1.337 -19.104 1.00 9.26 C ATOM 6 CG MET A 1 4.909 -2.447 -19.393 1.00 10.49 C ATOM 7 SD MET A 1 5.097 -2.899 -21.139 1.00 11.40 S ATOM 8 CE MET A 1 5.712 -1.358 -21.855 1.00 11.02 C ATOM 0 H1 MET A 1 3.486 -2.387 -16.039 1.00 9.88 H new ATOM 0 H2 MET A 1 2.021 -1.829 -16.692 1.00 9.88 H new ATOM 0 H3 MET A 1 2.945 -2.975 -17.538 1.00 9.88 H new ATOM 0 HA MET A 1 4.709 -0.955 -17.186 1.00 8.56 H new ATOM 0 HB2 MET A 1 2.926 -1.618 -19.532 1.00 9.26 H new ATOM 0 HB3 MET A 1 4.205 -0.422 -19.605 1.00 9.26 H new ATOM 0 HG2 MET A 1 5.880 -2.132 -19.011 1.00 10.49 H new ATOM 0 HG3 MET A 1 4.620 -3.337 -18.834 1.00 10.49 H new ATOM 0 HE1 MET A 1 5.989 -1.526 -22.896 1.00 11.02 H new ATOM 0 HE2 MET A 1 4.933 -0.597 -21.805 1.00 11.02 H new ATOM 0 HE3 MET A 1 6.585 -1.021 -21.297 1.00 11.02 H new ATOM 20 N GLY A 2 3.496 1.391 -17.598 1.00 5.93 N ATOM 21 CA GLY A 2 2.865 2.662 -17.276 1.00 5.14 C ATOM 22 C GLY A 2 2.988 2.947 -15.777 1.00 4.21 C ATOM 23 O GLY A 2 3.098 2.013 -14.981 1.00 5.02 O ATOM 0 H GLY A 2 4.438 1.481 -17.979 1.00 5.93 H new ATOM 0 HA2 GLY A 2 3.334 3.464 -17.846 1.00 5.14 H new ATOM 0 HA3 GLY A 2 1.814 2.638 -17.564 1.00 5.14 H new ATOM 27 N ASP A 3 2.984 4.237 -15.424 1.00 3.21 N ATOM 28 CA ASP A 3 3.128 4.766 -14.070 1.00 2.58 C ATOM 29 C ASP A 3 4.440 4.315 -13.412 1.00 1.65 C ATOM 30 O ASP A 3 5.257 3.617 -14.011 1.00 2.27 O ATOM 31 CB ASP A 3 1.896 4.418 -13.210 1.00 3.32 C ATOM 32 CG ASP A 3 0.580 4.960 -13.750 1.00 4.46 C ATOM 33 OD1 ASP A 3 0.607 5.738 -14.726 1.00 5.07 O ATOM 34 OD2 ASP A 3 -0.454 4.580 -13.157 1.00 5.44 O ATOM 0 H ASP A 3 2.874 4.978 -16.116 1.00 3.21 H new ATOM 0 HA ASP A 3 3.181 5.852 -14.143 1.00 2.58 H new ATOM 0 HB2 ASP A 3 1.821 3.334 -13.126 1.00 3.32 H new ATOM 0 HB3 ASP A 3 2.049 4.806 -12.203 1.00 3.32 H new ATOM 39 N GLY A 4 4.634 4.720 -12.156 1.00 1.21 N ATOM 40 CA GLY A 4 5.534 4.055 -11.231 1.00 1.39 C ATOM 41 C GLY A 4 4.662 3.095 -10.431 1.00 1.38 C ATOM 42 O GLY A 4 3.568 3.478 -10.017 1.00 1.67 O ATOM 0 H GLY A 4 4.162 5.530 -11.754 1.00 1.21 H new ATOM 0 HA2 GLY A 4 6.319 3.519 -11.765 1.00 1.39 H new ATOM 0 HA3 GLY A 4 6.027 4.775 -10.577 1.00 1.39 H new ATOM 46 N VAL A 5 5.082 1.837 -10.281 1.00 1.35 N ATOM 47 CA VAL A 5 4.243 0.790 -9.715 1.00 1.28 C ATOM 48 C VAL A 5 5.047 -0.052 -8.731 1.00 1.17 C ATOM 49 O VAL A 5 6.245 -0.254 -8.922 1.00 1.47 O ATOM 50 CB VAL A 5 3.607 -0.065 -10.830 1.00 1.34 C ATOM 51 CG1 VAL A 5 2.789 0.802 -11.795 1.00 2.66 C ATOM 52 CG2 VAL A 5 4.641 -0.860 -11.641 1.00 2.78 C ATOM 0 H VAL A 5 6.014 1.520 -10.550 1.00 1.35 H new ATOM 0 HA VAL A 5 3.424 1.250 -9.162 1.00 1.28 H new ATOM 0 HB VAL A 5 2.956 -0.774 -10.318 1.00 1.34 H new ATOM 0 HG11 VAL A 5 2.353 0.172 -12.570 1.00 2.66 H new ATOM 0 HG12 VAL A 5 1.993 1.305 -11.246 1.00 2.66 H new ATOM 0 HG13 VAL A 5 3.439 1.546 -12.256 1.00 2.66 H new ATOM 0 HG21 VAL A 5 4.132 -1.441 -12.410 1.00 2.78 H new ATOM 0 HG22 VAL A 5 5.342 -0.171 -12.112 1.00 2.78 H new ATOM 0 HG23 VAL A 5 5.184 -1.533 -10.978 1.00 2.78 H new ATOM 62 N LEU A 6 4.387 -0.535 -7.678 1.00 0.94 N ATOM 63 CA LEU A 6 4.931 -1.489 -6.729 1.00 1.03 C ATOM 64 C LEU A 6 3.749 -2.224 -6.107 1.00 0.82 C ATOM 65 O LEU A 6 2.650 -1.674 -6.032 1.00 1.06 O ATOM 66 CB LEU A 6 5.763 -0.742 -5.674 1.00 1.51 C ATOM 67 CG LEU A 6 6.345 -1.616 -4.553 1.00 1.82 C ATOM 68 CD1 LEU A 6 7.318 -2.676 -5.085 1.00 2.64 C ATOM 69 CD2 LEU A 6 7.091 -0.713 -3.568 1.00 2.41 C ATOM 0 H LEU A 6 3.429 -0.260 -7.461 1.00 0.94 H new ATOM 0 HA LEU A 6 5.594 -2.209 -7.209 1.00 1.03 H new ATOM 0 HB2 LEU A 6 6.584 -0.233 -6.178 1.00 1.51 H new ATOM 0 HB3 LEU A 6 5.139 0.029 -5.223 1.00 1.51 H new ATOM 0 HG LEU A 6 5.518 -2.137 -4.071 1.00 1.82 H new ATOM 0 HD11 LEU A 6 7.702 -3.268 -4.254 1.00 2.64 H new ATOM 0 HD12 LEU A 6 6.797 -3.329 -5.785 1.00 2.64 H new ATOM 0 HD13 LEU A 6 8.147 -2.186 -5.595 1.00 2.64 H new ATOM 0 HD21 LEU A 6 7.511 -1.319 -2.765 1.00 2.41 H new ATOM 0 HD22 LEU A 6 7.895 -0.193 -4.088 1.00 2.41 H new ATOM 0 HD23 LEU A 6 6.399 0.017 -3.148 1.00 2.41 H new ATOM 81 N GLU A 7 3.974 -3.454 -5.652 1.00 0.92 N ATOM 82 CA GLU A 7 3.043 -4.136 -4.780 1.00 1.02 C ATOM 83 C GLU A 7 3.703 -4.362 -3.444 1.00 1.15 C ATOM 84 O GLU A 7 4.914 -4.561 -3.365 1.00 1.54 O ATOM 85 CB GLU A 7 2.586 -5.452 -5.370 1.00 1.26 C ATOM 86 CG GLU A 7 1.970 -5.165 -6.732 1.00 1.24 C ATOM 87 CD GLU A 7 0.891 -6.171 -7.043 1.00 1.31 C ATOM 88 OE1 GLU A 7 1.069 -7.332 -6.630 1.00 2.93 O ATOM 89 OE2 GLU A 7 -0.176 -5.780 -7.563 1.00 1.53 O ATOM 0 H GLU A 7 4.806 -3.998 -5.881 1.00 0.92 H new ATOM 0 HA GLU A 7 2.157 -3.513 -4.659 1.00 1.02 H new ATOM 0 HB2 GLU A 7 3.427 -6.138 -5.469 1.00 1.26 H new ATOM 0 HB3 GLU A 7 1.858 -5.931 -4.715 1.00 1.26 H new ATOM 0 HG2 GLU A 7 1.552 -4.158 -6.744 1.00 1.24 H new ATOM 0 HG3 GLU A 7 2.741 -5.200 -7.502 1.00 1.24 H new ATOM 96 N LEU A 8 2.882 -4.351 -2.402 1.00 0.91 N ATOM 97 CA LEU A 8 3.272 -4.845 -1.103 1.00 0.99 C ATOM 98 C LEU A 8 2.283 -5.943 -0.757 1.00 0.73 C ATOM 99 O LEU A 8 1.081 -5.699 -0.813 1.00 0.72 O ATOM 100 CB LEU A 8 3.240 -3.699 -0.084 1.00 1.19 C ATOM 101 CG LEU A 8 4.364 -2.676 -0.325 1.00 1.53 C ATOM 102 CD1 LEU A 8 4.079 -1.397 0.461 1.00 2.70 C ATOM 103 CD2 LEU A 8 5.727 -3.211 0.123 1.00 2.78 C ATOM 0 H LEU A 8 1.926 -3.997 -2.442 1.00 0.91 H new ATOM 0 HA LEU A 8 4.288 -5.239 -1.095 1.00 0.99 H new ATOM 0 HB2 LEU A 8 2.275 -3.195 -0.137 1.00 1.19 H new ATOM 0 HB3 LEU A 8 3.332 -4.107 0.922 1.00 1.19 H new ATOM 0 HG LEU A 8 4.394 -2.479 -1.397 1.00 1.53 H new ATOM 0 HD11 LEU A 8 4.878 -0.677 0.286 1.00 2.70 H new ATOM 0 HD12 LEU A 8 3.130 -0.972 0.133 1.00 2.70 H new ATOM 0 HD13 LEU A 8 4.025 -1.628 1.525 1.00 2.70 H new ATOM 0 HD21 LEU A 8 6.493 -2.458 -0.064 1.00 2.78 H new ATOM 0 HD22 LEU A 8 5.696 -3.440 1.188 1.00 2.78 H new ATOM 0 HD23 LEU A 8 5.964 -4.117 -0.436 1.00 2.78 H new ATOM 115 N VAL A 9 2.767 -7.127 -0.370 1.00 0.63 N ATOM 116 CA VAL A 9 1.918 -8.057 0.353 1.00 0.52 C ATOM 117 C VAL A 9 1.840 -7.484 1.763 1.00 0.52 C ATOM 118 O VAL A 9 2.822 -6.900 2.219 1.00 0.62 O ATOM 119 CB VAL A 9 2.467 -9.493 0.309 1.00 0.58 C ATOM 120 CG1 VAL A 9 3.668 -9.695 1.236 1.00 1.75 C ATOM 121 CG2 VAL A 9 1.384 -10.519 0.666 1.00 1.46 C ATOM 0 H VAL A 9 3.718 -7.452 -0.543 1.00 0.63 H new ATOM 0 HA VAL A 9 0.927 -8.149 -0.091 1.00 0.52 H new ATOM 0 HB VAL A 9 2.797 -9.650 -0.718 1.00 0.58 H new ATOM 0 HG11 VAL A 9 4.014 -10.726 1.164 1.00 1.75 H new ATOM 0 HG12 VAL A 9 4.472 -9.021 0.941 1.00 1.75 H new ATOM 0 HG13 VAL A 9 3.374 -9.482 2.264 1.00 1.75 H new ATOM 0 HG21 VAL A 9 1.806 -11.523 0.625 1.00 1.46 H new ATOM 0 HG22 VAL A 9 1.014 -10.322 1.672 1.00 1.46 H new ATOM 0 HG23 VAL A 9 0.561 -10.442 -0.045 1.00 1.46 H new ATOM 131 N VAL A 10 0.674 -7.574 2.398 1.00 0.56 N ATOM 132 CA VAL A 10 0.369 -6.922 3.661 1.00 0.53 C ATOM 133 C VAL A 10 -0.343 -7.923 4.565 1.00 0.56 C ATOM 134 O VAL A 10 -1.408 -8.427 4.204 1.00 0.96 O ATOM 135 CB VAL A 10 -0.478 -5.651 3.432 1.00 0.63 C ATOM 136 CG1 VAL A 10 0.433 -4.423 3.410 1.00 2.12 C ATOM 137 CG2 VAL A 10 -1.305 -5.667 2.137 1.00 1.67 C ATOM 0 H VAL A 10 -0.106 -8.121 2.033 1.00 0.56 H new ATOM 0 HA VAL A 10 1.290 -6.600 4.146 1.00 0.53 H new ATOM 0 HB VAL A 10 -1.186 -5.616 4.260 1.00 0.63 H new ATOM 0 HG11 VAL A 10 -0.167 -3.528 3.248 1.00 2.12 H new ATOM 0 HG12 VAL A 10 0.957 -4.342 4.362 1.00 2.12 H new ATOM 0 HG13 VAL A 10 1.160 -4.523 2.604 1.00 2.12 H new ATOM 0 HG21 VAL A 10 -1.869 -4.738 2.054 1.00 1.67 H new ATOM 0 HG22 VAL A 10 -0.638 -5.764 1.280 1.00 1.67 H new ATOM 0 HG23 VAL A 10 -1.995 -6.510 2.156 1.00 1.67 H new ATOM 147 N ARG A 11 0.243 -8.217 5.732 1.00 0.55 N ATOM 148 CA ARG A 11 -0.292 -9.169 6.698 1.00 0.64 C ATOM 149 C ARG A 11 -0.511 -8.506 8.055 1.00 0.69 C ATOM 150 O ARG A 11 0.384 -7.838 8.580 1.00 0.98 O ATOM 151 CB ARG A 11 0.578 -10.425 6.797 1.00 0.91 C ATOM 152 CG ARG A 11 2.080 -10.189 6.991 1.00 1.26 C ATOM 153 CD ARG A 11 2.596 -10.696 8.343 1.00 2.20 C ATOM 154 NE ARG A 11 2.127 -9.851 9.457 1.00 4.24 N ATOM 155 CZ ARG A 11 2.748 -9.700 10.640 1.00 5.48 C ATOM 156 NH1 ARG A 11 3.872 -10.361 10.914 1.00 5.17 N ATOM 157 NH2 ARG A 11 2.255 -8.836 11.534 1.00 7.45 N ATOM 0 H ARG A 11 1.119 -7.789 6.032 1.00 0.55 H new ATOM 0 HA ARG A 11 -1.267 -9.498 6.339 1.00 0.64 H new ATOM 0 HB2 ARG A 11 0.215 -11.029 7.628 1.00 0.91 H new ATOM 0 HB3 ARG A 11 0.437 -11.013 5.890 1.00 0.91 H new ATOM 0 HG2 ARG A 11 2.627 -10.686 6.190 1.00 1.26 H new ATOM 0 HG3 ARG A 11 2.289 -9.123 6.905 1.00 1.26 H new ATOM 0 HD2 ARG A 11 2.262 -11.722 8.499 1.00 2.20 H new ATOM 0 HD3 ARG A 11 3.686 -10.714 8.333 1.00 2.20 H new ATOM 0 HE ARG A 11 1.257 -9.337 9.318 1.00 4.24 H new ATOM 0 HH11 ARG A 11 4.274 -10.993 10.221 1.00 5.17 H new ATOM 0 HH12 ARG A 11 4.331 -10.235 11.816 1.00 5.17 H new ATOM 0 HH21 ARG A 11 1.416 -8.299 11.315 1.00 7.45 H new ATOM 0 HH22 ARG A 11 2.718 -8.714 12.434 1.00 7.45 H new ATOM 171 N GLY A 12 -1.701 -8.723 8.618 1.00 0.86 N ATOM 172 CA GLY A 12 -2.224 -8.050 9.799 1.00 1.00 C ATOM 173 C GLY A 12 -3.619 -7.487 9.505 1.00 1.12 C ATOM 174 O GLY A 12 -4.383 -7.201 10.423 1.00 1.86 O ATOM 0 H GLY A 12 -2.356 -9.408 8.240 1.00 0.86 H new ATOM 0 HA2 GLY A 12 -2.273 -8.749 10.634 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -1.553 -7.244 10.096 1.00 1.00 H new ATOM 178 N MET A 13 -3.957 -7.327 8.219 1.00 0.76 N ATOM 179 CA MET A 13 -5.305 -6.988 7.796 1.00 0.87 C ATOM 180 C MET A 13 -6.283 -8.103 8.175 1.00 1.09 C ATOM 181 O MET A 13 -5.870 -9.230 8.445 1.00 1.89 O ATOM 182 CB MET A 13 -5.342 -6.769 6.281 1.00 1.14 C ATOM 183 CG MET A 13 -4.362 -5.695 5.802 1.00 0.97 C ATOM 184 SD MET A 13 -4.649 -5.137 4.108 1.00 1.36 S ATOM 185 CE MET A 13 -4.468 -6.699 3.229 1.00 1.47 C ATOM 0 H MET A 13 -3.297 -7.431 7.449 1.00 0.76 H new ATOM 0 HA MET A 13 -5.602 -6.069 8.302 1.00 0.87 H new ATOM 0 HB2 MET A 13 -5.114 -7.709 5.779 1.00 1.14 H new ATOM 0 HB3 MET A 13 -6.353 -6.487 5.986 1.00 1.14 H new ATOM 0 HG2 MET A 13 -4.425 -4.837 6.471 1.00 0.97 H new ATOM 0 HG3 MET A 13 -3.347 -6.085 5.878 1.00 0.97 H new ATOM 0 HE1 MET A 13 -4.367 -6.506 2.161 1.00 1.47 H new ATOM 0 HE2 MET A 13 -3.580 -7.219 3.590 1.00 1.47 H new ATOM 0 HE3 MET A 13 -5.347 -7.319 3.404 1.00 1.47 H new ATOM 195 N THR A 14 -7.581 -7.793 8.155 1.00 0.73 N ATOM 196 CA THR A 14 -8.627 -8.771 8.430 1.00 0.98 C ATOM 197 C THR A 14 -9.921 -8.434 7.680 1.00 1.14 C ATOM 198 O THR A 14 -10.531 -9.319 7.082 1.00 2.55 O ATOM 199 CB THR A 14 -8.804 -8.941 9.952 1.00 1.26 C ATOM 200 OG1 THR A 14 -9.747 -9.949 10.241 1.00 2.07 O ATOM 201 CG2 THR A 14 -9.231 -7.656 10.669 1.00 1.50 C ATOM 0 H THR A 14 -7.933 -6.858 7.948 1.00 0.73 H new ATOM 0 HA THR A 14 -8.326 -9.745 8.044 1.00 0.98 H new ATOM 0 HB THR A 14 -7.818 -9.218 10.324 1.00 1.26 H new ATOM 0 HG1 THR A 14 -9.841 -10.040 11.212 1.00 2.07 H new ATOM 0 HG21 THR A 14 -9.336 -7.852 11.736 1.00 1.50 H new ATOM 0 HG22 THR A 14 -8.476 -6.885 10.514 1.00 1.50 H new ATOM 0 HG23 THR A 14 -10.185 -7.315 10.267 1.00 1.50 H new ATOM 209 N CYS A 15 -10.338 -7.162 7.673 1.00 0.70 N ATOM 210 CA CYS A 15 -11.590 -6.737 7.050 1.00 0.79 C ATOM 211 C CYS A 15 -11.378 -5.417 6.320 1.00 0.81 C ATOM 212 O CYS A 15 -10.347 -4.766 6.495 1.00 1.10 O ATOM 213 CB CYS A 15 -12.707 -6.599 8.098 1.00 1.22 C ATOM 214 SG CYS A 15 -13.050 -8.175 8.921 1.00 2.56 S ATOM 0 H CYS A 15 -9.813 -6.399 8.101 1.00 0.70 H new ATOM 0 HA CYS A 15 -11.898 -7.497 6.332 1.00 0.79 H new ATOM 0 HB2 CYS A 15 -12.419 -5.855 8.841 1.00 1.22 H new ATOM 0 HB3 CYS A 15 -13.615 -6.234 7.617 1.00 1.22 H new ATOM 0 HG CYS A 15 -13.996 -8.010 9.797 1.00 2.56 H new ATOM 220 N ALA A 16 -12.379 -5.023 5.524 1.00 0.83 N ATOM 221 CA ALA A 16 -12.417 -3.824 4.688 1.00 1.00 C ATOM 222 C ALA A 16 -11.857 -2.579 5.388 1.00 0.98 C ATOM 223 O ALA A 16 -11.190 -1.752 4.773 1.00 1.45 O ATOM 224 CB ALA A 16 -13.865 -3.590 4.258 1.00 1.26 C ATOM 0 H ALA A 16 -13.237 -5.569 5.444 1.00 0.83 H new ATOM 0 HA ALA A 16 -11.774 -3.991 3.824 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -13.919 -2.699 3.632 1.00 1.26 H new ATOM 0 HB2 ALA A 16 -14.221 -4.452 3.694 1.00 1.26 H new ATOM 0 HB3 ALA A 16 -14.489 -3.452 5.141 1.00 1.26 H new ATOM 230 N SER A 17 -12.116 -2.463 6.688 1.00 0.72 N ATOM 231 CA SER A 17 -11.596 -1.443 7.579 1.00 0.65 C ATOM 232 C SER A 17 -10.078 -1.237 7.466 1.00 0.58 C ATOM 233 O SER A 17 -9.586 -0.113 7.482 1.00 0.74 O ATOM 234 CB SER A 17 -11.955 -1.895 8.989 1.00 0.75 C ATOM 235 OG SER A 17 -11.769 -3.299 9.094 1.00 0.92 O ATOM 0 H SER A 17 -12.730 -3.119 7.170 1.00 0.72 H new ATOM 0 HA SER A 17 -12.034 -0.481 7.315 1.00 0.65 H new ATOM 0 HB2 SER A 17 -11.331 -1.379 9.719 1.00 0.75 H new ATOM 0 HB3 SER A 17 -12.990 -1.636 9.214 1.00 0.75 H new ATOM 0 HG SER A 17 -11.998 -3.592 10.001 1.00 0.92 H new ATOM 241 N CYS A 18 -9.317 -2.330 7.405 1.00 0.83 N ATOM 242 CA CYS A 18 -7.868 -2.276 7.311 1.00 0.73 C ATOM 243 C CYS A 18 -7.528 -1.763 5.924 1.00 0.76 C ATOM 244 O CYS A 18 -6.711 -0.861 5.750 1.00 0.77 O ATOM 245 CB CYS A 18 -7.283 -3.677 7.517 1.00 0.97 C ATOM 246 SG CYS A 18 -7.449 -4.171 9.246 1.00 1.22 S ATOM 0 H CYS A 18 -9.694 -3.278 7.420 1.00 0.83 H new ATOM 0 HA CYS A 18 -7.450 -1.620 8.075 1.00 0.73 H new ATOM 0 HB2 CYS A 18 -7.798 -4.392 6.875 1.00 0.97 H new ATOM 0 HB3 CYS A 18 -6.232 -3.687 7.227 1.00 0.97 H new ATOM 0 HG CYS A 18 -6.317 -3.992 9.859 1.00 1.22 H new ATOM 252 N VAL A 19 -8.202 -2.356 4.941 1.00 0.90 N ATOM 253 CA VAL A 19 -8.051 -2.044 3.541 1.00 1.00 C ATOM 254 C VAL A 19 -8.201 -0.536 3.294 1.00 0.92 C ATOM 255 O VAL A 19 -7.236 0.120 2.903 1.00 0.97 O ATOM 256 CB VAL A 19 -9.001 -2.955 2.738 1.00 1.17 C ATOM 257 CG1 VAL A 19 -9.594 -2.315 1.482 1.00 1.11 C ATOM 258 CG2 VAL A 19 -8.297 -4.275 2.408 1.00 1.61 C ATOM 0 H VAL A 19 -8.889 -3.090 5.114 1.00 0.90 H new ATOM 0 HA VAL A 19 -7.043 -2.259 3.185 1.00 1.00 H new ATOM 0 HB VAL A 19 -9.860 -3.140 3.383 1.00 1.17 H new ATOM 0 HG11 VAL A 19 -10.248 -3.030 0.984 1.00 1.11 H new ATOM 0 HG12 VAL A 19 -10.168 -1.431 1.760 1.00 1.11 H new ATOM 0 HG13 VAL A 19 -8.789 -2.027 0.806 1.00 1.11 H new ATOM 0 HG21 VAL A 19 -8.972 -4.916 1.841 1.00 1.61 H new ATOM 0 HG22 VAL A 19 -7.405 -4.073 1.815 1.00 1.61 H new ATOM 0 HG23 VAL A 19 -8.013 -4.777 3.333 1.00 1.61 H new ATOM 268 N HIS A 20 -9.376 0.043 3.565 1.00 0.81 N ATOM 269 CA HIS A 20 -9.588 1.446 3.228 1.00 0.80 C ATOM 270 C HIS A 20 -8.757 2.375 4.120 1.00 0.70 C ATOM 271 O HIS A 20 -8.394 3.467 3.684 1.00 0.74 O ATOM 272 CB HIS A 20 -11.072 1.829 3.116 1.00 0.84 C ATOM 273 CG HIS A 20 -11.759 2.176 4.409 1.00 0.78 C ATOM 274 ND1 HIS A 20 -12.601 3.242 4.631 1.00 1.20 N ATOM 275 CD2 HIS A 20 -11.673 1.474 5.573 1.00 0.73 C ATOM 276 CE1 HIS A 20 -13.007 3.173 5.912 1.00 1.01 C ATOM 277 NE2 HIS A 20 -12.466 2.112 6.529 1.00 0.80 N ATOM 0 H HIS A 20 -10.170 -0.425 4.003 1.00 0.81 H new ATOM 0 HA HIS A 20 -9.208 1.592 2.217 1.00 0.80 H new ATOM 0 HB2 HIS A 20 -11.158 2.681 2.441 1.00 0.84 H new ATOM 0 HB3 HIS A 20 -11.608 1.000 2.653 1.00 0.84 H new ATOM 0 HD2 HIS A 20 -11.091 0.578 5.730 1.00 0.73 H new ATOM 0 HE1 HIS A 20 -13.678 3.877 6.380 1.00 1.01 H new ATOM 0 HE2 HIS A 20 -12.605 1.829 7.499 1.00 0.80 H new ATOM 285 N LYS A 21 -8.415 1.943 5.348 1.00 0.63 N ATOM 286 CA LYS A 21 -7.439 2.655 6.164 1.00 0.60 C ATOM 287 C LYS A 21 -6.144 2.810 5.359 1.00 0.56 C ATOM 288 O LYS A 21 -5.678 3.935 5.183 1.00 0.61 O ATOM 289 CB LYS A 21 -7.224 1.966 7.529 1.00 0.61 C ATOM 290 CG LYS A 21 -6.229 2.728 8.420 1.00 0.66 C ATOM 291 CD LYS A 21 -6.013 2.110 9.815 1.00 1.72 C ATOM 292 CE LYS A 21 -5.363 0.716 9.754 1.00 3.22 C ATOM 293 NZ LYS A 21 -4.875 0.240 11.070 1.00 4.43 N ATOM 0 H LYS A 21 -8.803 1.108 5.787 1.00 0.63 H new ATOM 0 HA LYS A 21 -7.815 3.650 6.404 1.00 0.60 H new ATOM 0 HB2 LYS A 21 -8.180 1.883 8.046 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -6.860 0.951 7.367 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -5.268 2.780 7.907 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -6.581 3.752 8.541 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -5.384 2.774 10.408 1.00 1.72 H new ATOM 0 HD3 LYS A 21 -6.972 2.037 10.328 1.00 1.72 H new ATOM 0 HE2 LYS A 21 -6.087 0.002 9.362 1.00 3.22 H new ATOM 0 HE3 LYS A 21 -4.529 0.742 9.052 1.00 3.22 H new ATOM 0 HZ1 LYS A 21 -4.958 -0.796 11.117 1.00 4.43 H new ATOM 0 HZ2 LYS A 21 -3.879 0.513 11.190 1.00 4.43 H new ATOM 0 HZ3 LYS A 21 -5.445 0.668 11.827 1.00 4.43 H new ATOM 307 N ILE A 22 -5.579 1.705 4.853 1.00 0.52 N ATOM 308 CA ILE A 22 -4.398 1.767 3.993 1.00 0.52 C ATOM 309 C ILE A 22 -4.666 2.715 2.820 1.00 0.52 C ATOM 310 O ILE A 22 -3.955 3.705 2.656 1.00 0.59 O ATOM 311 CB ILE A 22 -3.952 0.369 3.505 1.00 0.53 C ATOM 312 CG1 ILE A 22 -3.495 -0.510 4.681 1.00 0.56 C ATOM 313 CG2 ILE A 22 -2.805 0.506 2.491 1.00 0.57 C ATOM 314 CD1 ILE A 22 -3.219 -1.958 4.273 1.00 0.75 C ATOM 0 H ILE A 22 -5.923 0.761 5.026 1.00 0.52 H new ATOM 0 HA ILE A 22 -3.569 2.158 4.582 1.00 0.52 H new ATOM 0 HB ILE A 22 -4.808 -0.109 3.028 1.00 0.53 H new ATOM 0 HG12 ILE A 22 -2.592 -0.083 5.117 1.00 0.56 H new ATOM 0 HG13 ILE A 22 -4.261 -0.497 5.457 1.00 0.56 H new ATOM 0 HG21 ILE A 22 -2.498 -0.484 2.153 1.00 0.57 H new ATOM 0 HG22 ILE A 22 -3.143 1.092 1.637 1.00 0.57 H new ATOM 0 HG23 ILE A 22 -1.960 1.007 2.963 1.00 0.57 H new ATOM 0 HD11 ILE A 22 -2.900 -2.528 5.146 1.00 0.75 H new ATOM 0 HD12 ILE A 22 -4.127 -2.400 3.863 1.00 0.75 H new ATOM 0 HD13 ILE A 22 -2.433 -1.980 3.519 1.00 0.75 H new ATOM 326 N GLU A 23 -5.676 2.409 2.001 1.00 0.51 N ATOM 327 CA GLU A 23 -5.916 3.122 0.751 1.00 0.58 C ATOM 328 C GLU A 23 -6.003 4.631 0.980 1.00 0.68 C ATOM 329 O GLU A 23 -5.275 5.397 0.347 1.00 0.82 O ATOM 330 CB GLU A 23 -7.160 2.562 0.052 1.00 0.61 C ATOM 331 CG GLU A 23 -6.897 1.109 -0.369 1.00 1.42 C ATOM 332 CD GLU A 23 -8.124 0.364 -0.874 1.00 2.04 C ATOM 333 OE1 GLU A 23 -9.242 0.788 -0.515 1.00 2.31 O ATOM 334 OE2 GLU A 23 -7.904 -0.648 -1.580 1.00 3.28 O ATOM 0 H GLU A 23 -6.346 1.663 2.188 1.00 0.51 H new ATOM 0 HA GLU A 23 -5.067 2.962 0.087 1.00 0.58 H new ATOM 0 HB2 GLU A 23 -8.019 2.609 0.721 1.00 0.61 H new ATOM 0 HB3 GLU A 23 -7.403 3.167 -0.821 1.00 0.61 H new ATOM 0 HG2 GLU A 23 -6.137 1.103 -1.151 1.00 1.42 H new ATOM 0 HG3 GLU A 23 -6.484 0.567 0.482 1.00 1.42 H new ATOM 341 N SER A 24 -6.861 5.057 1.907 1.00 0.73 N ATOM 342 CA SER A 24 -7.009 6.460 2.263 1.00 0.93 C ATOM 343 C SER A 24 -5.671 7.026 2.755 1.00 1.01 C ATOM 344 O SER A 24 -5.173 8.029 2.232 1.00 1.36 O ATOM 345 CB SER A 24 -8.113 6.591 3.322 1.00 1.03 C ATOM 346 OG SER A 24 -8.346 7.951 3.635 1.00 1.44 O ATOM 0 H SER A 24 -7.473 4.433 2.432 1.00 0.73 H new ATOM 0 HA SER A 24 -7.300 7.042 1.389 1.00 0.93 H new ATOM 0 HB2 SER A 24 -9.032 6.134 2.955 1.00 1.03 H new ATOM 0 HB3 SER A 24 -7.826 6.049 4.223 1.00 1.03 H new ATOM 0 HG SER A 24 -9.054 8.015 4.310 1.00 1.44 H new ATOM 352 N SER A 25 -5.085 6.367 3.762 1.00 0.73 N ATOM 353 CA SER A 25 -3.873 6.827 4.421 1.00 0.65 C ATOM 354 C SER A 25 -2.738 7.052 3.429 1.00 0.75 C ATOM 355 O SER A 25 -1.965 7.987 3.607 1.00 1.11 O ATOM 356 CB SER A 25 -3.457 5.827 5.499 1.00 0.50 C ATOM 357 OG SER A 25 -2.307 6.260 6.199 1.00 0.98 O ATOM 0 H SER A 25 -5.448 5.492 4.140 1.00 0.73 H new ATOM 0 HA SER A 25 -4.087 7.789 4.887 1.00 0.65 H new ATOM 0 HB2 SER A 25 -4.279 5.686 6.201 1.00 0.50 H new ATOM 0 HB3 SER A 25 -3.260 4.858 5.040 1.00 0.50 H new ATOM 0 HG SER A 25 -2.575 6.659 7.053 1.00 0.98 H new ATOM 363 N LEU A 26 -2.598 6.189 2.423 1.00 0.60 N ATOM 364 CA LEU A 26 -1.644 6.400 1.346 1.00 0.64 C ATOM 365 C LEU A 26 -2.082 7.463 0.341 1.00 0.67 C ATOM 366 O LEU A 26 -1.337 8.396 0.051 1.00 0.65 O ATOM 367 CB LEU A 26 -1.301 5.075 0.672 1.00 0.60 C ATOM 368 CG LEU A 26 -0.776 4.033 1.666 1.00 0.53 C ATOM 369 CD1 LEU A 26 -0.564 2.732 0.898 1.00 1.77 C ATOM 370 CD2 LEU A 26 0.529 4.480 2.331 1.00 1.68 C ATOM 0 H LEU A 26 -3.141 5.330 2.336 1.00 0.60 H new ATOM 0 HA LEU A 26 -0.738 6.801 1.800 1.00 0.64 H new ATOM 0 HB2 LEU A 26 -2.188 4.683 0.174 1.00 0.60 H new ATOM 0 HB3 LEU A 26 -0.551 5.247 -0.100 1.00 0.60 H new ATOM 0 HG LEU A 26 -1.501 3.900 2.469 1.00 0.53 H new ATOM 0 HD11 LEU A 26 -0.189 1.966 1.577 1.00 1.77 H new ATOM 0 HD12 LEU A 26 -1.511 2.405 0.468 1.00 1.77 H new ATOM 0 HD13 LEU A 26 0.160 2.895 0.100 1.00 1.77 H new ATOM 0 HD21 LEU A 26 0.864 3.711 3.027 1.00 1.68 H new ATOM 0 HD22 LEU A 26 1.291 4.636 1.568 1.00 1.68 H new ATOM 0 HD23 LEU A 26 0.361 5.411 2.872 1.00 1.68 H new ATOM 382 N THR A 27 -3.275 7.322 -0.238 1.00 0.83 N ATOM 383 CA THR A 27 -3.707 8.202 -1.320 1.00 1.05 C ATOM 384 C THR A 27 -3.614 9.675 -0.899 1.00 1.14 C ATOM 385 O THR A 27 -3.220 10.528 -1.695 1.00 1.85 O ATOM 386 CB THR A 27 -5.105 7.795 -1.801 1.00 1.18 C ATOM 387 OG1 THR A 27 -5.093 6.432 -2.177 1.00 2.03 O ATOM 388 CG2 THR A 27 -5.549 8.607 -3.021 1.00 1.75 C ATOM 0 H THR A 27 -3.956 6.609 0.024 1.00 0.83 H new ATOM 0 HA THR A 27 -3.034 8.091 -2.170 1.00 1.05 H new ATOM 0 HB THR A 27 -5.797 7.980 -0.979 1.00 1.18 H new ATOM 0 HG1 THR A 27 -5.200 5.872 -1.380 1.00 2.03 H new ATOM 0 HG21 THR A 27 -6.544 8.287 -3.329 1.00 1.75 H new ATOM 0 HG22 THR A 27 -5.572 9.666 -2.764 1.00 1.75 H new ATOM 0 HG23 THR A 27 -4.847 8.447 -3.840 1.00 1.75 H new ATOM 396 N LYS A 28 -3.904 9.975 0.373 1.00 0.92 N ATOM 397 CA LYS A 28 -3.783 11.323 0.921 1.00 0.99 C ATOM 398 C LYS A 28 -2.411 11.979 0.693 1.00 0.78 C ATOM 399 O LYS A 28 -2.332 13.206 0.716 1.00 0.89 O ATOM 400 CB LYS A 28 -4.147 11.318 2.411 1.00 1.18 C ATOM 401 CG LYS A 28 -3.094 10.589 3.253 1.00 1.60 C ATOM 402 CD LYS A 28 -2.053 11.482 3.946 1.00 3.04 C ATOM 403 CE LYS A 28 -2.490 11.932 5.347 1.00 3.28 C ATOM 404 NZ LYS A 28 -3.745 12.706 5.325 1.00 3.84 N ATOM 0 H LYS A 28 -4.230 9.285 1.050 1.00 0.92 H new ATOM 0 HA LYS A 28 -4.490 11.941 0.367 1.00 0.99 H new ATOM 0 HB2 LYS A 28 -4.247 12.344 2.764 1.00 1.18 H new ATOM 0 HB3 LYS A 28 -5.116 10.838 2.547 1.00 1.18 H new ATOM 0 HG2 LYS A 28 -3.608 10.004 4.016 1.00 1.60 H new ATOM 0 HG3 LYS A 28 -2.568 9.883 2.610 1.00 1.60 H new ATOM 0 HD2 LYS A 28 -1.110 10.941 4.021 1.00 3.04 H new ATOM 0 HD3 LYS A 28 -1.867 12.361 3.329 1.00 3.04 H new ATOM 0 HE2 LYS A 28 -2.618 11.056 5.983 1.00 3.28 H new ATOM 0 HE3 LYS A 28 -1.701 12.537 5.793 1.00 3.28 H new ATOM 0 HZ1 LYS A 28 -3.979 13.015 6.290 1.00 3.84 H new ATOM 0 HZ2 LYS A 28 -3.628 13.539 4.713 1.00 3.84 H new ATOM 0 HZ3 LYS A 28 -4.514 12.110 4.956 1.00 3.84 H new ATOM 418 N HIS A 29 -1.327 11.208 0.518 1.00 0.63 N ATOM 419 CA HIS A 29 -0.017 11.789 0.225 1.00 0.64 C ATOM 420 C HIS A 29 -0.036 12.552 -1.110 1.00 0.85 C ATOM 421 O HIS A 29 0.781 13.446 -1.310 1.00 2.22 O ATOM 422 CB HIS A 29 1.072 10.714 0.118 1.00 0.70 C ATOM 423 CG HIS A 29 1.537 9.987 1.361 1.00 0.66 C ATOM 424 ND1 HIS A 29 2.843 9.624 1.621 1.00 1.24 N ATOM 425 CD2 HIS A 29 0.755 9.188 2.145 1.00 0.91 C ATOM 426 CE1 HIS A 29 2.828 8.631 2.530 1.00 1.13 C ATOM 427 NE2 HIS A 29 1.572 8.335 2.883 1.00 0.76 N ATOM 0 H HIS A 29 -1.335 10.190 0.575 1.00 0.63 H new ATOM 0 HA HIS A 29 0.205 12.464 1.052 1.00 0.64 H new ATOM 0 HB2 HIS A 29 0.717 9.961 -0.585 1.00 0.70 H new ATOM 0 HB3 HIS A 29 1.948 11.182 -0.331 1.00 0.70 H new ATOM 0 HD2 HIS A 29 -0.324 9.213 2.186 1.00 0.91 H new ATOM 0 HE1 HIS A 29 3.708 8.141 2.920 1.00 1.13 H new ATOM 0 HE2 HIS A 29 1.274 7.629 3.556 1.00 0.76 H new ATOM 435 N ARG A 30 -0.912 12.152 -2.044 1.00 1.38 N ATOM 436 CA ARG A 30 -1.073 12.674 -3.403 1.00 1.40 C ATOM 437 C ARG A 30 -0.012 12.170 -4.393 1.00 1.36 C ATOM 438 O ARG A 30 -0.139 12.443 -5.583 1.00 1.86 O ATOM 439 CB ARG A 30 -1.121 14.213 -3.445 1.00 1.55 C ATOM 440 CG ARG A 30 -2.144 14.833 -2.485 1.00 2.25 C ATOM 441 CD ARG A 30 -2.029 16.361 -2.551 1.00 2.52 C ATOM 442 NE ARG A 30 -2.997 17.024 -1.663 1.00 3.87 N ATOM 443 CZ ARG A 30 -4.281 17.274 -1.967 1.00 5.04 C ATOM 444 NH1 ARG A 30 -4.789 16.835 -3.123 1.00 5.60 N ATOM 445 NH2 ARG A 30 -5.049 17.961 -1.113 1.00 6.38 N ATOM 0 H ARG A 30 -1.573 11.400 -1.852 1.00 1.38 H new ATOM 0 HA ARG A 30 -2.037 12.280 -3.724 1.00 1.40 H new ATOM 0 HB2 ARG A 30 -0.132 14.603 -3.207 1.00 1.55 H new ATOM 0 HB3 ARG A 30 -1.353 14.531 -4.461 1.00 1.55 H new ATOM 0 HG2 ARG A 30 -3.152 14.519 -2.755 1.00 2.25 H new ATOM 0 HG3 ARG A 30 -1.964 14.486 -1.468 1.00 2.25 H new ATOM 0 HD2 ARG A 30 -1.018 16.661 -2.274 1.00 2.52 H new ATOM 0 HD3 ARG A 30 -2.191 16.693 -3.577 1.00 2.52 H new ATOM 0 HE ARG A 30 -2.667 17.317 -0.744 1.00 3.87 H new ATOM 0 HH11 ARG A 30 -4.202 16.311 -3.772 1.00 5.60 H new ATOM 0 HH12 ARG A 30 -5.764 17.024 -3.356 1.00 5.60 H new ATOM 0 HH21 ARG A 30 -4.659 18.295 -0.231 1.00 6.38 H new ATOM 0 HH22 ARG A 30 -6.024 18.151 -1.344 1.00 6.38 H new ATOM 459 N GLY A 31 0.977 11.392 -3.940 1.00 0.94 N ATOM 460 CA GLY A 31 1.946 10.734 -4.817 1.00 0.96 C ATOM 461 C GLY A 31 1.524 9.295 -5.111 1.00 0.82 C ATOM 462 O GLY A 31 1.890 8.724 -6.132 1.00 1.10 O ATOM 0 H GLY A 31 1.127 11.201 -2.949 1.00 0.94 H new ATOM 0 HA2 GLY A 31 2.034 11.290 -5.751 1.00 0.96 H new ATOM 0 HA3 GLY A 31 2.930 10.740 -4.348 1.00 0.96 H new ATOM 466 N ILE A 32 0.716 8.701 -4.227 1.00 0.75 N ATOM 467 CA ILE A 32 0.078 7.425 -4.495 1.00 0.74 C ATOM 468 C ILE A 32 -1.103 7.737 -5.408 1.00 0.80 C ATOM 469 O ILE A 32 -2.103 8.306 -4.972 1.00 1.23 O ATOM 470 CB ILE A 32 -0.310 6.726 -3.179 1.00 0.76 C ATOM 471 CG1 ILE A 32 0.938 6.202 -2.450 1.00 1.80 C ATOM 472 CG2 ILE A 32 -1.240 5.535 -3.420 1.00 2.04 C ATOM 473 CD1 ILE A 32 1.383 7.182 -1.371 1.00 2.90 C ATOM 0 H ILE A 32 0.492 9.095 -3.313 1.00 0.75 H new ATOM 0 HA ILE A 32 0.740 6.715 -4.992 1.00 0.74 H new ATOM 0 HB ILE A 32 -0.823 7.474 -2.574 1.00 0.76 H new ATOM 0 HG12 ILE A 32 0.723 5.232 -2.001 1.00 1.80 H new ATOM 0 HG13 ILE A 32 1.746 6.050 -3.166 1.00 1.80 H new ATOM 0 HG21 ILE A 32 -1.490 5.070 -2.466 1.00 2.04 H new ATOM 0 HG22 ILE A 32 -2.153 5.879 -3.906 1.00 2.04 H new ATOM 0 HG23 ILE A 32 -0.741 4.807 -4.059 1.00 2.04 H new ATOM 0 HD11 ILE A 32 2.267 6.792 -0.867 1.00 2.90 H new ATOM 0 HD12 ILE A 32 1.620 8.143 -1.828 1.00 2.90 H new ATOM 0 HD13 ILE A 32 0.580 7.313 -0.645 1.00 2.90 H new ATOM 485 N LEU A 33 -0.948 7.402 -6.688 1.00 0.50 N ATOM 486 CA LEU A 33 -1.918 7.684 -7.728 1.00 0.56 C ATOM 487 C LEU A 33 -3.036 6.656 -7.669 1.00 0.54 C ATOM 488 O LEU A 33 -4.173 6.968 -8.018 1.00 0.65 O ATOM 489 CB LEU A 33 -1.235 7.676 -9.105 1.00 0.70 C ATOM 490 CG LEU A 33 0.002 8.587 -9.196 1.00 0.86 C ATOM 491 CD1 LEU A 33 0.580 8.513 -10.613 1.00 1.32 C ATOM 492 CD2 LEU A 33 -0.320 10.044 -8.844 1.00 1.38 C ATOM 0 H LEU A 33 -0.121 6.915 -7.032 1.00 0.50 H new ATOM 0 HA LEU A 33 -2.345 8.674 -7.570 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -0.940 6.655 -9.347 1.00 0.70 H new ATOM 0 HB3 LEU A 33 -1.958 7.986 -9.859 1.00 0.70 H new ATOM 0 HG LEU A 33 0.731 8.232 -8.468 1.00 0.86 H new ATOM 0 HD11 LEU A 33 1.457 9.157 -10.682 1.00 1.32 H new ATOM 0 HD12 LEU A 33 0.866 7.485 -10.836 1.00 1.32 H new ATOM 0 HD13 LEU A 33 -0.171 8.844 -11.330 1.00 1.32 H new ATOM 0 HD21 LEU A 33 0.585 10.646 -8.923 1.00 1.38 H new ATOM 0 HD22 LEU A 33 -1.072 10.427 -9.534 1.00 1.38 H new ATOM 0 HD23 LEU A 33 -0.702 10.096 -7.825 1.00 1.38 H new ATOM 504 N TYR A 34 -2.733 5.428 -7.235 1.00 0.49 N ATOM 505 CA TYR A 34 -3.752 4.436 -7.010 1.00 0.54 C ATOM 506 C TYR A 34 -3.244 3.451 -5.969 1.00 0.52 C ATOM 507 O TYR A 34 -2.071 3.091 -5.996 1.00 0.66 O ATOM 508 CB TYR A 34 -4.078 3.746 -8.339 1.00 0.67 C ATOM 509 CG TYR A 34 -5.388 3.008 -8.318 1.00 0.76 C ATOM 510 CD1 TYR A 34 -6.561 3.707 -7.995 1.00 1.51 C ATOM 511 CD2 TYR A 34 -5.438 1.631 -8.591 1.00 2.10 C ATOM 512 CE1 TYR A 34 -7.763 3.012 -7.827 1.00 1.55 C ATOM 513 CE2 TYR A 34 -6.669 0.960 -8.537 1.00 2.26 C ATOM 514 CZ TYR A 34 -7.823 1.636 -8.105 1.00 1.21 C ATOM 515 OH TYR A 34 -8.989 0.948 -7.959 1.00 1.52 O ATOM 0 H TYR A 34 -1.784 5.111 -7.036 1.00 0.49 H new ATOM 0 HA TYR A 34 -4.670 4.889 -6.635 1.00 0.54 H new ATOM 0 HB2 TYR A 34 -4.102 4.493 -9.132 1.00 0.67 H new ATOM 0 HB3 TYR A 34 -3.278 3.047 -8.584 1.00 0.67 H new ATOM 0 HD1 TYR A 34 -6.536 4.780 -7.876 1.00 1.51 H new ATOM 0 HD2 TYR A 34 -4.536 1.093 -8.841 1.00 2.10 H new ATOM 0 HE1 TYR A 34 -8.645 3.533 -7.484 1.00 1.55 H new ATOM 0 HE2 TYR A 34 -6.730 -0.078 -8.828 1.00 2.26 H new ATOM 0 HH TYR A 34 -8.846 0.008 -8.196 1.00 1.52 H new ATOM 525 N CYS A 35 -4.124 3.032 -5.063 1.00 0.53 N ATOM 526 CA CYS A 35 -3.884 1.978 -4.095 1.00 0.59 C ATOM 527 C CYS A 35 -5.110 1.083 -4.154 1.00 0.64 C ATOM 528 O CYS A 35 -6.219 1.580 -3.968 1.00 1.10 O ATOM 529 CB CYS A 35 -3.706 2.567 -2.698 1.00 0.75 C ATOM 530 SG CYS A 35 -3.256 1.197 -1.619 1.00 2.22 S ATOM 0 H CYS A 35 -5.057 3.436 -4.984 1.00 0.53 H new ATOM 0 HA CYS A 35 -2.974 1.422 -4.318 1.00 0.59 H new ATOM 0 HB2 CYS A 35 -2.931 3.333 -2.696 1.00 0.75 H new ATOM 0 HB3 CYS A 35 -4.626 3.043 -2.358 1.00 0.75 H new ATOM 0 HG CYS A 35 -1.970 1.199 -1.428 1.00 2.22 H new ATOM 536 N SER A 36 -4.927 -0.190 -4.505 1.00 0.55 N ATOM 537 CA SER A 36 -5.993 -1.179 -4.504 1.00 0.57 C ATOM 538 C SER A 36 -5.513 -2.340 -3.652 1.00 0.54 C ATOM 539 O SER A 36 -4.595 -3.061 -4.055 1.00 0.56 O ATOM 540 CB SER A 36 -6.319 -1.607 -5.937 1.00 0.74 C ATOM 541 OG SER A 36 -7.379 -2.544 -5.953 1.00 1.74 O ATOM 0 H SER A 36 -4.024 -0.562 -4.800 1.00 0.55 H new ATOM 0 HA SER A 36 -6.917 -0.776 -4.089 1.00 0.57 H new ATOM 0 HB2 SER A 36 -6.591 -0.733 -6.529 1.00 0.74 H new ATOM 0 HB3 SER A 36 -5.435 -2.044 -6.401 1.00 0.74 H new ATOM 0 HG SER A 36 -7.573 -2.803 -6.878 1.00 1.74 H new ATOM 547 N VAL A 37 -6.078 -2.473 -2.451 1.00 0.56 N ATOM 548 CA VAL A 37 -5.647 -3.456 -1.478 1.00 0.57 C ATOM 549 C VAL A 37 -6.585 -4.652 -1.538 1.00 0.64 C ATOM 550 O VAL A 37 -7.570 -4.753 -0.806 1.00 0.76 O ATOM 551 CB VAL A 37 -5.477 -2.816 -0.094 1.00 0.61 C ATOM 552 CG1 VAL A 37 -4.713 -3.781 0.809 1.00 2.02 C ATOM 553 CG2 VAL A 37 -4.642 -1.538 -0.177 1.00 1.81 C ATOM 0 H VAL A 37 -6.854 -1.893 -2.132 1.00 0.56 H new ATOM 0 HA VAL A 37 -4.654 -3.838 -1.714 1.00 0.57 H new ATOM 0 HB VAL A 37 -6.470 -2.590 0.293 1.00 0.61 H new ATOM 0 HG11 VAL A 37 -4.587 -3.334 1.795 1.00 2.02 H new ATOM 0 HG12 VAL A 37 -5.271 -4.713 0.901 1.00 2.02 H new ATOM 0 HG13 VAL A 37 -3.734 -3.986 0.376 1.00 2.02 H new ATOM 0 HG21 VAL A 37 -4.538 -1.106 0.818 1.00 1.81 H new ATOM 0 HG22 VAL A 37 -3.655 -1.773 -0.575 1.00 1.81 H new ATOM 0 HG23 VAL A 37 -5.137 -0.822 -0.833 1.00 1.81 H new ATOM 563 N ALA A 38 -6.258 -5.591 -2.425 1.00 0.72 N ATOM 564 CA ALA A 38 -7.060 -6.767 -2.638 1.00 0.78 C ATOM 565 C ALA A 38 -6.739 -7.736 -1.508 1.00 0.70 C ATOM 566 O ALA A 38 -5.887 -8.613 -1.646 1.00 0.68 O ATOM 567 CB ALA A 38 -6.769 -7.329 -4.028 1.00 0.89 C ATOM 0 H ALA A 38 -5.425 -5.546 -3.011 1.00 0.72 H new ATOM 0 HA ALA A 38 -8.130 -6.558 -2.616 1.00 0.78 H new ATOM 0 HB1 ALA A 38 -7.374 -8.220 -4.194 1.00 0.89 H new ATOM 0 HB2 ALA A 38 -7.012 -6.580 -4.782 1.00 0.89 H new ATOM 0 HB3 ALA A 38 -5.713 -7.589 -4.102 1.00 0.89 H new ATOM 573 N LEU A 39 -7.448 -7.568 -0.389 1.00 0.70 N ATOM 574 CA LEU A 39 -7.451 -8.464 0.763 1.00 0.69 C ATOM 575 C LEU A 39 -7.455 -9.933 0.323 1.00 0.63 C ATOM 576 O LEU A 39 -6.750 -10.755 0.897 1.00 0.65 O ATOM 577 CB LEU A 39 -8.668 -8.160 1.662 1.00 0.80 C ATOM 578 CG LEU A 39 -8.294 -7.993 3.143 1.00 1.53 C ATOM 579 CD1 LEU A 39 -9.527 -7.571 3.950 1.00 1.84 C ATOM 580 CD2 LEU A 39 -7.716 -9.279 3.748 1.00 2.42 C ATOM 0 H LEU A 39 -8.063 -6.765 -0.259 1.00 0.70 H new ATOM 0 HA LEU A 39 -6.538 -8.294 1.334 1.00 0.69 H new ATOM 0 HB2 LEU A 39 -9.154 -7.250 1.311 1.00 0.80 H new ATOM 0 HB3 LEU A 39 -9.395 -8.967 1.565 1.00 0.80 H new ATOM 0 HG LEU A 39 -7.524 -7.223 3.192 1.00 1.53 H new ATOM 0 HD11 LEU A 39 -9.253 -7.455 4.999 1.00 1.84 H new ATOM 0 HD12 LEU A 39 -9.906 -6.624 3.567 1.00 1.84 H new ATOM 0 HD13 LEU A 39 -10.300 -8.334 3.859 1.00 1.84 H new ATOM 0 HD21 LEU A 39 -7.468 -9.109 4.796 1.00 2.42 H new ATOM 0 HD22 LEU A 39 -8.453 -10.079 3.675 1.00 2.42 H new ATOM 0 HD23 LEU A 39 -6.816 -9.565 3.204 1.00 2.42 H new ATOM 592 N ALA A 40 -8.201 -10.244 -0.742 1.00 0.66 N ATOM 593 CA ALA A 40 -8.302 -11.581 -1.322 1.00 0.72 C ATOM 594 C ALA A 40 -6.932 -12.206 -1.612 1.00 0.72 C ATOM 595 O ALA A 40 -6.760 -13.413 -1.477 1.00 0.83 O ATOM 596 CB ALA A 40 -9.121 -11.503 -2.613 1.00 0.79 C ATOM 0 H ALA A 40 -8.765 -9.552 -1.235 1.00 0.66 H new ATOM 0 HA ALA A 40 -8.794 -12.223 -0.591 1.00 0.72 H new ATOM 0 HB1 ALA A 40 -9.202 -12.497 -3.053 1.00 0.79 H new ATOM 0 HB2 ALA A 40 -10.118 -11.123 -2.389 1.00 0.79 H new ATOM 0 HB3 ALA A 40 -8.627 -10.833 -3.317 1.00 0.79 H new ATOM 602 N THR A 41 -5.972 -11.378 -2.033 1.00 0.67 N ATOM 603 CA THR A 41 -4.597 -11.761 -2.326 1.00 0.68 C ATOM 604 C THR A 41 -3.641 -11.098 -1.324 1.00 0.63 C ATOM 605 O THR A 41 -2.433 -11.091 -1.552 1.00 0.71 O ATOM 606 CB THR A 41 -4.291 -11.419 -3.798 1.00 0.79 C ATOM 607 OG1 THR A 41 -2.942 -11.673 -4.137 1.00 1.62 O ATOM 608 CG2 THR A 41 -4.656 -9.990 -4.183 1.00 1.31 C ATOM 0 H THR A 41 -6.143 -10.384 -2.184 1.00 0.67 H new ATOM 0 HA THR A 41 -4.453 -12.835 -2.208 1.00 0.68 H new ATOM 0 HB THR A 41 -4.933 -12.086 -4.373 1.00 0.79 H new ATOM 0 HG1 THR A 41 -2.390 -11.639 -3.328 1.00 1.62 H new ATOM 0 HG21 THR A 41 -4.413 -9.822 -5.232 1.00 1.31 H new ATOM 0 HG22 THR A 41 -5.724 -9.833 -4.029 1.00 1.31 H new ATOM 0 HG23 THR A 41 -4.093 -9.291 -3.564 1.00 1.31 H new ATOM 616 N ASN A 42 -4.177 -10.538 -0.230 1.00 0.58 N ATOM 617 CA ASN A 42 -3.458 -9.807 0.810 1.00 0.59 C ATOM 618 C ASN A 42 -2.374 -8.894 0.227 1.00 0.55 C ATOM 619 O ASN A 42 -1.282 -8.795 0.782 1.00 0.55 O ATOM 620 CB ASN A 42 -2.934 -10.793 1.873 1.00 0.75 C ATOM 621 CG ASN A 42 -3.878 -10.900 3.067 1.00 0.87 C ATOM 622 OD1 ASN A 42 -4.733 -11.775 3.121 1.00 1.94 O ATOM 623 ND2 ASN A 42 -3.722 -10.020 4.052 1.00 1.13 N ATOM 0 H ASN A 42 -5.178 -10.589 -0.042 1.00 0.58 H new ATOM 0 HA ASN A 42 -4.149 -9.129 1.312 1.00 0.59 H new ATOM 0 HB2 ASN A 42 -2.806 -11.777 1.423 1.00 0.75 H new ATOM 0 HB3 ASN A 42 -1.951 -10.469 2.215 1.00 0.75 H new ATOM 0 HD21 ASN A 42 -4.322 -10.065 4.876 1.00 1.13 H new ATOM 0 HD22 ASN A 42 -3.002 -9.300 3.984 1.00 1.13 H new ATOM 630 N LYS A 43 -2.680 -8.203 -0.879 1.00 0.59 N ATOM 631 CA LYS A 43 -1.723 -7.354 -1.579 1.00 0.54 C ATOM 632 C LYS A 43 -2.319 -5.978 -1.827 1.00 0.48 C ATOM 633 O LYS A 43 -3.508 -5.857 -2.118 1.00 0.54 O ATOM 634 CB LYS A 43 -1.198 -8.048 -2.852 1.00 0.65 C ATOM 635 CG LYS A 43 -0.833 -7.159 -4.049 1.00 0.66 C ATOM 636 CD LYS A 43 -2.042 -6.852 -4.961 1.00 0.79 C ATOM 637 CE LYS A 43 -2.345 -7.969 -5.973 1.00 0.86 C ATOM 638 NZ LYS A 43 -1.367 -8.036 -7.081 1.00 1.18 N ATOM 0 H LYS A 43 -3.604 -8.221 -1.311 1.00 0.59 H new ATOM 0 HA LYS A 43 -0.847 -7.197 -0.950 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -0.314 -8.624 -2.580 1.00 0.65 H new ATOM 0 HB3 LYS A 43 -1.954 -8.761 -3.182 1.00 0.65 H new ATOM 0 HG2 LYS A 43 -0.412 -6.222 -3.684 1.00 0.66 H new ATOM 0 HG3 LYS A 43 -0.057 -7.650 -4.636 1.00 0.66 H new ATOM 0 HD2 LYS A 43 -2.923 -6.686 -4.340 1.00 0.79 H new ATOM 0 HD3 LYS A 43 -1.853 -5.924 -5.501 1.00 0.79 H new ATOM 0 HE2 LYS A 43 -2.360 -8.927 -5.453 1.00 0.86 H new ATOM 0 HE3 LYS A 43 -3.342 -7.815 -6.386 1.00 0.86 H new ATOM 0 HZ1 LYS A 43 -1.598 -8.840 -7.700 1.00 1.18 H new ATOM 0 HZ2 LYS A 43 -1.404 -7.154 -7.631 1.00 1.18 H new ATOM 0 HZ3 LYS A 43 -0.410 -8.161 -6.693 1.00 1.18 H new ATOM 652 N ALA A 44 -1.456 -4.968 -1.725 1.00 0.42 N ATOM 653 CA ALA A 44 -1.696 -3.590 -2.088 1.00 0.38 C ATOM 654 C ALA A 44 -0.999 -3.396 -3.414 1.00 0.40 C ATOM 655 O ALA A 44 0.226 -3.380 -3.436 1.00 0.43 O ATOM 656 CB ALA A 44 -1.112 -2.667 -1.013 1.00 0.43 C ATOM 0 H ALA A 44 -0.513 -5.110 -1.362 1.00 0.42 H new ATOM 0 HA ALA A 44 -2.758 -3.355 -2.167 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -1.294 -1.628 -1.288 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -1.588 -2.877 -0.055 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -0.039 -2.838 -0.930 1.00 0.43 H new ATOM 662 N HIS A 45 -1.772 -3.269 -4.493 1.00 0.47 N ATOM 663 CA HIS A 45 -1.270 -2.773 -5.758 1.00 0.54 C ATOM 664 C HIS A 45 -1.195 -1.268 -5.606 1.00 0.57 C ATOM 665 O HIS A 45 -2.229 -0.628 -5.409 1.00 0.61 O ATOM 666 CB HIS A 45 -2.223 -3.151 -6.890 1.00 0.60 C ATOM 667 CG HIS A 45 -1.629 -2.843 -8.230 1.00 0.72 C ATOM 668 ND1 HIS A 45 -0.928 -3.719 -9.018 1.00 1.10 N ATOM 669 CD2 HIS A 45 -1.464 -1.591 -8.743 1.00 0.68 C ATOM 670 CE1 HIS A 45 -0.390 -3.011 -10.022 1.00 1.22 C ATOM 671 NE2 HIS A 45 -0.686 -1.701 -9.899 1.00 0.98 N ATOM 0 H HIS A 45 -2.763 -3.509 -4.506 1.00 0.47 H new ATOM 0 HA HIS A 45 -0.297 -3.199 -6.003 1.00 0.54 H new ATOM 0 HB2 HIS A 45 -2.458 -4.214 -6.830 1.00 0.60 H new ATOM 0 HB3 HIS A 45 -3.162 -2.610 -6.773 1.00 0.60 H new ATOM 0 HD1 HIS A 45 -0.833 -4.723 -8.868 1.00 1.10 H new ATOM 0 HD2 HIS A 45 -1.863 -0.677 -8.330 1.00 0.68 H new ATOM 0 HE1 HIS A 45 0.201 -3.433 -10.821 1.00 1.22 H new ATOM 679 N ILE A 46 0.019 -0.720 -5.666 1.00 0.72 N ATOM 680 CA ILE A 46 0.268 0.690 -5.463 1.00 0.66 C ATOM 681 C ILE A 46 0.903 1.242 -6.724 1.00 0.70 C ATOM 682 O ILE A 46 2.025 0.886 -7.081 1.00 1.03 O ATOM 683 CB ILE A 46 1.143 0.904 -4.226 1.00 0.68 C ATOM 684 CG1 ILE A 46 0.426 0.245 -3.042 1.00 1.03 C ATOM 685 CG2 ILE A 46 1.337 2.407 -3.984 1.00 0.62 C ATOM 686 CD1 ILE A 46 1.102 0.572 -1.725 1.00 1.06 C ATOM 0 H ILE A 46 0.863 -1.259 -5.860 1.00 0.72 H new ATOM 0 HA ILE A 46 -0.663 1.226 -5.277 1.00 0.66 H new ATOM 0 HB ILE A 46 2.130 0.461 -4.358 1.00 0.68 H new ATOM 0 HG12 ILE A 46 -0.611 0.580 -3.012 1.00 1.03 H new ATOM 0 HG13 ILE A 46 0.408 -0.836 -3.183 1.00 1.03 H new ATOM 0 HG21 ILE A 46 1.960 2.556 -3.102 1.00 0.62 H new ATOM 0 HG22 ILE A 46 1.822 2.856 -4.851 1.00 0.62 H new ATOM 0 HG23 ILE A 46 0.367 2.878 -3.826 1.00 0.62 H new ATOM 0 HD11 ILE A 46 0.565 0.087 -0.910 1.00 1.06 H new ATOM 0 HD12 ILE A 46 2.131 0.213 -1.745 1.00 1.06 H new ATOM 0 HD13 ILE A 46 1.097 1.651 -1.571 1.00 1.06 H new ATOM 698 N LYS A 47 0.179 2.135 -7.386 1.00 0.58 N ATOM 699 CA LYS A 47 0.702 2.928 -8.470 1.00 0.55 C ATOM 700 C LYS A 47 1.033 4.305 -7.886 1.00 0.46 C ATOM 701 O LYS A 47 0.130 4.986 -7.396 1.00 0.53 O ATOM 702 CB LYS A 47 -0.341 2.988 -9.579 1.00 0.61 C ATOM 703 CG LYS A 47 -0.705 1.597 -10.106 1.00 0.69 C ATOM 704 CD LYS A 47 -1.217 1.600 -11.552 1.00 0.92 C ATOM 705 CE LYS A 47 -2.572 2.300 -11.744 1.00 1.84 C ATOM 706 NZ LYS A 47 -2.460 3.771 -11.705 1.00 3.28 N ATOM 0 H LYS A 47 -0.801 2.325 -7.175 1.00 0.58 H new ATOM 0 HA LYS A 47 1.605 2.506 -8.911 1.00 0.55 H new ATOM 0 HB2 LYS A 47 -1.239 3.479 -9.205 1.00 0.61 H new ATOM 0 HB3 LYS A 47 0.038 3.598 -10.399 1.00 0.61 H new ATOM 0 HG2 LYS A 47 0.172 0.953 -10.042 1.00 0.69 H new ATOM 0 HG3 LYS A 47 -1.468 1.162 -9.461 1.00 0.69 H new ATOM 0 HD2 LYS A 47 -0.477 2.088 -12.186 1.00 0.92 H new ATOM 0 HD3 LYS A 47 -1.302 0.569 -11.897 1.00 0.92 H new ATOM 0 HE2 LYS A 47 -3.002 1.997 -12.699 1.00 1.84 H new ATOM 0 HE3 LYS A 47 -3.261 1.971 -10.966 1.00 1.84 H new ATOM 0 HZ1 LYS A 47 -3.106 4.187 -12.406 1.00 3.28 H new ATOM 0 HZ2 LYS A 47 -2.712 4.113 -10.756 1.00 3.28 H new ATOM 0 HZ3 LYS A 47 -1.483 4.051 -11.926 1.00 3.28 H new ATOM 720 N TYR A 48 2.311 4.689 -7.871 1.00 0.57 N ATOM 721 CA TYR A 48 2.810 5.878 -7.208 1.00 0.55 C ATOM 722 C TYR A 48 4.104 6.309 -7.895 1.00 0.66 C ATOM 723 O TYR A 48 4.865 5.443 -8.330 1.00 1.13 O ATOM 724 CB TYR A 48 3.063 5.563 -5.723 1.00 0.70 C ATOM 725 CG TYR A 48 4.324 4.759 -5.457 1.00 0.81 C ATOM 726 CD1 TYR A 48 4.429 3.440 -5.937 1.00 1.56 C ATOM 727 CD2 TYR A 48 5.475 5.413 -4.973 1.00 1.88 C ATOM 728 CE1 TYR A 48 5.684 2.817 -6.017 1.00 1.63 C ATOM 729 CE2 TYR A 48 6.712 4.748 -4.958 1.00 1.96 C ATOM 730 CZ TYR A 48 6.823 3.464 -5.514 1.00 1.08 C ATOM 731 OH TYR A 48 8.040 2.856 -5.585 1.00 1.25 O ATOM 0 H TYR A 48 3.045 4.157 -8.338 1.00 0.57 H new ATOM 0 HA TYR A 48 2.082 6.687 -7.271 1.00 0.55 H new ATOM 0 HB2 TYR A 48 3.121 6.501 -5.170 1.00 0.70 H new ATOM 0 HB3 TYR A 48 2.207 5.014 -5.330 1.00 0.70 H new ATOM 0 HD1 TYR A 48 3.542 2.906 -6.244 1.00 1.56 H new ATOM 0 HD2 TYR A 48 5.405 6.429 -4.613 1.00 1.88 H new ATOM 0 HE1 TYR A 48 5.773 1.839 -6.466 1.00 1.63 H new ATOM 0 HE2 TYR A 48 7.577 5.224 -4.519 1.00 1.96 H new ATOM 0 HH TYR A 48 8.693 3.476 -5.972 1.00 1.25 H new ATOM 741 N ASP A 49 4.387 7.609 -7.986 1.00 0.69 N ATOM 742 CA ASP A 49 5.678 8.074 -8.469 1.00 0.87 C ATOM 743 C ASP A 49 6.676 8.124 -7.303 1.00 0.88 C ATOM 744 O ASP A 49 6.330 8.542 -6.196 1.00 1.05 O ATOM 745 CB ASP A 49 5.551 9.425 -9.187 1.00 1.18 C ATOM 746 CG ASP A 49 4.964 10.531 -8.326 1.00 3.12 C ATOM 747 OD1 ASP A 49 3.951 10.249 -7.649 1.00 4.25 O ATOM 748 OD2 ASP A 49 5.525 11.644 -8.391 1.00 4.40 O ATOM 0 H ASP A 49 3.738 8.353 -7.731 1.00 0.69 H new ATOM 0 HA ASP A 49 6.058 7.370 -9.209 1.00 0.87 H new ATOM 0 HB2 ASP A 49 6.537 9.734 -9.535 1.00 1.18 H new ATOM 0 HB3 ASP A 49 4.927 9.297 -10.071 1.00 1.18 H new ATOM 753 N PRO A 50 7.922 7.668 -7.508 1.00 1.03 N ATOM 754 CA PRO A 50 8.937 7.699 -6.471 1.00 1.21 C ATOM 755 C PRO A 50 9.417 9.127 -6.188 1.00 1.52 C ATOM 756 O PRO A 50 9.746 9.439 -5.044 1.00 2.55 O ATOM 757 CB PRO A 50 10.058 6.777 -6.955 1.00 1.38 C ATOM 758 CG PRO A 50 9.910 6.775 -8.476 1.00 1.45 C ATOM 759 CD PRO A 50 8.415 7.000 -8.702 1.00 1.24 C ATOM 0 HA PRO A 50 8.546 7.351 -5.515 1.00 1.21 H new ATOM 0 HB2 PRO A 50 11.037 7.147 -6.650 1.00 1.38 H new ATOM 0 HB3 PRO A 50 9.954 5.773 -6.543 1.00 1.38 H new ATOM 0 HG2 PRO A 50 10.506 7.563 -8.936 1.00 1.45 H new ATOM 0 HG3 PRO A 50 10.241 5.831 -8.908 1.00 1.45 H new ATOM 0 HD2 PRO A 50 8.242 7.610 -9.589 1.00 1.24 H new ATOM 0 HD3 PRO A 50 7.898 6.054 -8.860 1.00 1.24 H new ATOM 767 N GLU A 51 9.428 10.007 -7.197 1.00 1.12 N ATOM 768 CA GLU A 51 10.057 11.328 -7.146 1.00 1.25 C ATOM 769 C GLU A 51 9.170 12.376 -6.459 1.00 1.31 C ATOM 770 O GLU A 51 9.017 13.503 -6.923 1.00 2.24 O ATOM 771 CB GLU A 51 10.456 11.757 -8.565 1.00 1.30 C ATOM 772 CG GLU A 51 11.225 10.650 -9.301 1.00 2.13 C ATOM 773 CD GLU A 51 12.454 10.187 -8.525 1.00 3.84 C ATOM 774 OE1 GLU A 51 13.356 11.032 -8.341 1.00 4.69 O ATOM 775 OE2 GLU A 51 12.460 9.005 -8.118 1.00 5.03 O ATOM 0 H GLU A 51 8.987 9.812 -8.096 1.00 1.12 H new ATOM 0 HA GLU A 51 10.955 11.256 -6.532 1.00 1.25 H new ATOM 0 HB2 GLU A 51 9.561 12.016 -9.131 1.00 1.30 H new ATOM 0 HB3 GLU A 51 11.072 12.655 -8.514 1.00 1.30 H new ATOM 0 HG2 GLU A 51 10.563 9.801 -9.470 1.00 2.13 H new ATOM 0 HG3 GLU A 51 11.532 11.014 -10.281 1.00 2.13 H new ATOM 782 N ILE A 52 8.629 11.981 -5.311 1.00 1.46 N ATOM 783 CA ILE A 52 7.821 12.755 -4.382 1.00 1.52 C ATOM 784 C ILE A 52 7.798 11.961 -3.082 1.00 1.44 C ATOM 785 O ILE A 52 8.083 12.494 -2.012 1.00 1.87 O ATOM 786 CB ILE A 52 6.410 13.025 -4.954 1.00 1.58 C ATOM 787 CG1 ILE A 52 5.561 13.992 -4.105 1.00 3.44 C ATOM 788 CG2 ILE A 52 5.615 11.764 -5.313 1.00 2.85 C ATOM 789 CD1 ILE A 52 4.879 13.394 -2.866 1.00 4.46 C ATOM 0 H ILE A 52 8.758 11.025 -4.980 1.00 1.46 H new ATOM 0 HA ILE A 52 8.240 13.746 -4.207 1.00 1.52 H new ATOM 0 HB ILE A 52 6.625 13.532 -5.895 1.00 1.58 H new ATOM 0 HG12 ILE A 52 6.200 14.813 -3.780 1.00 3.44 H new ATOM 0 HG13 ILE A 52 4.791 14.422 -4.745 1.00 3.44 H new ATOM 0 HG21 ILE A 52 4.639 12.049 -5.706 1.00 2.85 H new ATOM 0 HG22 ILE A 52 6.158 11.194 -6.067 1.00 2.85 H new ATOM 0 HG23 ILE A 52 5.482 11.151 -4.421 1.00 2.85 H new ATOM 0 HD11 ILE A 52 4.312 14.171 -2.352 1.00 4.46 H new ATOM 0 HD12 ILE A 52 4.204 12.595 -3.172 1.00 4.46 H new ATOM 0 HD13 ILE A 52 5.636 12.992 -2.193 1.00 4.46 H new ATOM 801 N ILE A 53 7.476 10.670 -3.203 1.00 1.10 N ATOM 802 CA ILE A 53 7.326 9.747 -2.098 1.00 0.88 C ATOM 803 C ILE A 53 8.567 8.853 -2.070 1.00 1.12 C ATOM 804 O ILE A 53 9.558 9.212 -1.433 1.00 2.81 O ATOM 805 CB ILE A 53 5.931 9.083 -2.228 1.00 0.61 C ATOM 806 CG1 ILE A 53 4.950 9.875 -1.354 1.00 1.18 C ATOM 807 CG2 ILE A 53 5.796 7.622 -1.799 1.00 1.69 C ATOM 808 CD1 ILE A 53 3.511 9.657 -1.804 1.00 1.70 C ATOM 0 H ILE A 53 7.309 10.233 -4.109 1.00 1.10 H new ATOM 0 HA ILE A 53 7.308 10.196 -1.105 1.00 0.88 H new ATOM 0 HB ILE A 53 5.734 9.096 -3.300 1.00 0.61 H new ATOM 0 HG12 ILE A 53 5.058 9.570 -0.313 1.00 1.18 H new ATOM 0 HG13 ILE A 53 5.192 10.937 -1.402 1.00 1.18 H new ATOM 0 HG21 ILE A 53 4.767 7.293 -1.946 1.00 1.69 H new ATOM 0 HG22 ILE A 53 6.464 7.003 -2.399 1.00 1.69 H new ATOM 0 HG23 ILE A 53 6.061 7.526 -0.746 1.00 1.69 H new ATOM 0 HD11 ILE A 53 2.839 10.231 -1.166 1.00 1.70 H new ATOM 0 HD12 ILE A 53 3.399 9.986 -2.837 1.00 1.70 H new ATOM 0 HD13 ILE A 53 3.264 8.598 -1.732 1.00 1.70 H new ATOM 820 N GLY A 54 8.561 7.727 -2.783 1.00 0.74 N ATOM 821 CA GLY A 54 9.529 6.654 -2.606 1.00 0.58 C ATOM 822 C GLY A 54 8.947 5.589 -1.666 1.00 0.53 C ATOM 823 O GLY A 54 8.298 5.923 -0.675 1.00 0.91 O ATOM 0 H GLY A 54 7.872 7.535 -3.510 1.00 0.74 H new ATOM 0 HA2 GLY A 54 9.774 6.208 -3.570 1.00 0.58 H new ATOM 0 HA3 GLY A 54 10.456 7.051 -2.193 1.00 0.58 H new ATOM 827 N PRO A 55 9.155 4.298 -1.967 1.00 0.49 N ATOM 828 CA PRO A 55 8.402 3.203 -1.369 1.00 0.62 C ATOM 829 C PRO A 55 8.523 3.163 0.156 1.00 0.65 C ATOM 830 O PRO A 55 7.542 2.874 0.839 1.00 0.67 O ATOM 831 CB PRO A 55 8.921 1.933 -2.045 1.00 0.74 C ATOM 832 CG PRO A 55 10.306 2.319 -2.564 1.00 0.63 C ATOM 833 CD PRO A 55 10.131 3.794 -2.916 1.00 0.52 C ATOM 0 HA PRO A 55 7.331 3.323 -1.534 1.00 0.62 H new ATOM 0 HB2 PRO A 55 8.977 1.103 -1.341 1.00 0.74 H new ATOM 0 HB3 PRO A 55 8.265 1.619 -2.857 1.00 0.74 H new ATOM 0 HG2 PRO A 55 11.078 2.171 -1.808 1.00 0.63 H new ATOM 0 HG3 PRO A 55 10.593 1.726 -3.433 1.00 0.63 H new ATOM 0 HD2 PRO A 55 11.075 4.333 -2.834 1.00 0.52 H new ATOM 0 HD3 PRO A 55 9.782 3.916 -3.942 1.00 0.52 H new ATOM 841 N ARG A 56 9.711 3.481 0.679 1.00 0.71 N ATOM 842 CA ARG A 56 9.981 3.648 2.104 1.00 0.91 C ATOM 843 C ARG A 56 8.807 4.282 2.862 1.00 0.72 C ATOM 844 O ARG A 56 8.399 3.774 3.904 1.00 0.67 O ATOM 845 CB ARG A 56 11.282 4.449 2.318 1.00 1.34 C ATOM 846 CG ARG A 56 11.454 5.624 1.341 1.00 3.19 C ATOM 847 CD ARG A 56 12.518 6.626 1.815 1.00 4.41 C ATOM 848 NE ARG A 56 12.835 7.600 0.754 1.00 6.24 N ATOM 849 CZ ARG A 56 11.941 8.453 0.226 1.00 7.91 C ATOM 850 NH1 ARG A 56 10.812 8.729 0.869 1.00 8.31 N ATOM 851 NH2 ARG A 56 12.143 9.002 -0.973 1.00 9.60 N ATOM 0 H ARG A 56 10.537 3.634 0.100 1.00 0.71 H new ATOM 0 HA ARG A 56 10.111 2.650 2.523 1.00 0.91 H new ATOM 0 HB2 ARG A 56 11.299 4.832 3.339 1.00 1.34 H new ATOM 0 HB3 ARG A 56 12.133 3.776 2.216 1.00 1.34 H new ATOM 0 HG2 ARG A 56 11.732 5.240 0.360 1.00 3.19 H new ATOM 0 HG3 ARG A 56 10.500 6.139 1.224 1.00 3.19 H new ATOM 0 HD2 ARG A 56 12.160 7.151 2.701 1.00 4.41 H new ATOM 0 HD3 ARG A 56 13.423 6.092 2.105 1.00 4.41 H new ATOM 0 HE ARG A 56 13.791 7.628 0.399 1.00 6.24 H new ATOM 0 HH11 ARG A 56 10.619 8.292 1.770 1.00 8.31 H new ATOM 0 HH12 ARG A 56 10.138 9.378 0.461 1.00 8.31 H new ATOM 0 HH21 ARG A 56 12.985 8.776 -1.502 1.00 9.60 H new ATOM 0 HH22 ARG A 56 11.455 9.648 -1.361 1.00 9.60 H new ATOM 865 N ASP A 57 8.261 5.390 2.357 1.00 0.72 N ATOM 866 CA ASP A 57 7.274 6.164 3.101 1.00 0.73 C ATOM 867 C ASP A 57 5.993 5.352 3.218 1.00 0.61 C ATOM 868 O ASP A 57 5.397 5.244 4.288 1.00 0.61 O ATOM 869 CB ASP A 57 6.991 7.501 2.404 1.00 0.90 C ATOM 870 CG ASP A 57 8.246 8.313 2.140 1.00 1.86 C ATOM 871 OD1 ASP A 57 9.263 8.090 2.840 1.00 3.02 O ATOM 872 OD2 ASP A 57 8.224 9.099 1.169 1.00 2.68 O ATOM 0 H ASP A 57 8.487 5.768 1.437 1.00 0.72 H new ATOM 0 HA ASP A 57 7.666 6.380 4.095 1.00 0.73 H new ATOM 0 HB2 ASP A 57 6.483 7.311 1.458 1.00 0.90 H new ATOM 0 HB3 ASP A 57 6.309 8.087 3.020 1.00 0.90 H new ATOM 877 N ILE A 58 5.578 4.772 2.095 1.00 0.55 N ATOM 878 CA ILE A 58 4.393 3.941 2.016 1.00 0.47 C ATOM 879 C ILE A 58 4.556 2.743 2.949 1.00 0.44 C ATOM 880 O ILE A 58 3.650 2.445 3.723 1.00 0.43 O ATOM 881 CB ILE A 58 4.168 3.532 0.555 1.00 0.47 C ATOM 882 CG1 ILE A 58 3.725 4.740 -0.277 1.00 0.53 C ATOM 883 CG2 ILE A 58 3.125 2.423 0.439 1.00 0.44 C ATOM 884 CD1 ILE A 58 4.237 4.601 -1.708 1.00 0.72 C ATOM 0 H ILE A 58 6.066 4.871 1.205 1.00 0.55 H new ATOM 0 HA ILE A 58 3.507 4.485 2.343 1.00 0.47 H new ATOM 0 HB ILE A 58 5.116 3.155 0.172 1.00 0.47 H new ATOM 0 HG12 ILE A 58 2.638 4.814 -0.276 1.00 0.53 H new ATOM 0 HG13 ILE A 58 4.107 5.659 0.168 1.00 0.53 H new ATOM 0 HG21 ILE A 58 2.991 2.158 -0.610 1.00 0.44 H new ATOM 0 HG22 ILE A 58 3.462 1.547 0.994 1.00 0.44 H new ATOM 0 HG23 ILE A 58 2.177 2.771 0.850 1.00 0.44 H new ATOM 0 HD11 ILE A 58 3.918 5.463 -2.294 1.00 0.72 H new ATOM 0 HD12 ILE A 58 5.326 4.549 -1.701 1.00 0.72 H new ATOM 0 HD13 ILE A 58 3.833 3.691 -2.152 1.00 0.72 H new ATOM 896 N ILE A 59 5.713 2.077 2.888 1.00 0.52 N ATOM 897 CA ILE A 59 6.036 0.954 3.757 1.00 0.59 C ATOM 898 C ILE A 59 5.868 1.375 5.220 1.00 0.58 C ATOM 899 O ILE A 59 5.055 0.786 5.930 1.00 0.54 O ATOM 900 CB ILE A 59 7.444 0.423 3.429 1.00 0.75 C ATOM 901 CG1 ILE A 59 7.430 -0.222 2.032 1.00 0.81 C ATOM 902 CG2 ILE A 59 7.911 -0.600 4.474 1.00 0.97 C ATOM 903 CD1 ILE A 59 8.836 -0.365 1.448 1.00 1.79 C ATOM 0 H ILE A 59 6.454 2.308 2.227 1.00 0.52 H new ATOM 0 HA ILE A 59 5.348 0.126 3.585 1.00 0.59 H new ATOM 0 HB ILE A 59 8.143 1.259 3.445 1.00 0.75 H new ATOM 0 HG12 ILE A 59 6.962 -1.204 2.092 1.00 0.81 H new ATOM 0 HG13 ILE A 59 6.819 0.382 1.361 1.00 0.81 H new ATOM 0 HG21 ILE A 59 8.908 -0.956 4.214 1.00 0.97 H new ATOM 0 HG22 ILE A 59 7.938 -0.130 5.457 1.00 0.97 H new ATOM 0 HG23 ILE A 59 7.219 -1.442 4.494 1.00 0.97 H new ATOM 0 HD11 ILE A 59 8.775 -0.825 0.462 1.00 1.79 H new ATOM 0 HD12 ILE A 59 9.296 0.619 1.362 1.00 1.79 H new ATOM 0 HD13 ILE A 59 9.440 -0.992 2.104 1.00 1.79 H new ATOM 915 N HIS A 60 6.577 2.424 5.655 1.00 0.63 N ATOM 916 CA HIS A 60 6.477 2.929 7.015 1.00 0.67 C ATOM 917 C HIS A 60 5.020 3.199 7.367 1.00 0.56 C ATOM 918 O HIS A 60 4.570 2.816 8.446 1.00 0.57 O ATOM 919 CB HIS A 60 7.298 4.214 7.178 1.00 0.79 C ATOM 920 CG HIS A 60 8.785 4.030 7.027 1.00 1.15 C ATOM 921 ND1 HIS A 60 9.620 4.810 6.259 1.00 2.08 N ATOM 922 CD2 HIS A 60 9.560 3.117 7.689 1.00 1.31 C ATOM 923 CE1 HIS A 60 10.873 4.363 6.446 1.00 2.76 C ATOM 924 NE2 HIS A 60 10.890 3.337 7.313 1.00 2.28 N ATOM 0 H HIS A 60 7.233 2.941 5.069 1.00 0.63 H new ATOM 0 HA HIS A 60 6.876 2.173 7.692 1.00 0.67 H new ATOM 0 HB2 HIS A 60 6.958 4.943 6.442 1.00 0.79 H new ATOM 0 HB3 HIS A 60 7.095 4.637 8.162 1.00 0.79 H new ATOM 0 HD2 HIS A 60 9.209 2.363 8.377 1.00 1.31 H new ATOM 0 HE1 HIS A 60 11.748 4.773 5.964 1.00 2.76 H new ATOM 0 HE2 HIS A 60 11.709 2.821 7.634 1.00 2.28 H new ATOM 932 N THR A 61 4.283 3.852 6.464 1.00 0.51 N ATOM 933 CA THR A 61 2.891 4.183 6.721 1.00 0.46 C ATOM 934 C THR A 61 2.090 2.902 6.973 1.00 0.37 C ATOM 935 O THR A 61 1.463 2.779 8.019 1.00 0.39 O ATOM 936 CB THR A 61 2.326 5.059 5.592 1.00 0.51 C ATOM 937 OG1 THR A 61 3.120 6.220 5.470 1.00 0.72 O ATOM 938 CG2 THR A 61 0.894 5.512 5.890 1.00 0.59 C ATOM 0 H THR A 61 4.631 4.158 5.555 1.00 0.51 H new ATOM 0 HA THR A 61 2.810 4.783 7.628 1.00 0.46 H new ATOM 0 HB THR A 61 2.332 4.465 4.678 1.00 0.51 H new ATOM 0 HG1 THR A 61 3.963 5.994 5.025 1.00 0.72 H new ATOM 0 HG21 THR A 61 0.529 6.129 5.069 1.00 0.59 H new ATOM 0 HG22 THR A 61 0.252 4.638 6.000 1.00 0.59 H new ATOM 0 HG23 THR A 61 0.880 6.091 6.813 1.00 0.59 H new ATOM 946 N ILE A 62 2.133 1.937 6.050 1.00 0.36 N ATOM 947 CA ILE A 62 1.461 0.644 6.169 1.00 0.36 C ATOM 948 C ILE A 62 1.811 -0.029 7.499 1.00 0.38 C ATOM 949 O ILE A 62 0.920 -0.404 8.270 1.00 0.39 O ATOM 950 CB ILE A 62 1.842 -0.227 4.956 1.00 0.42 C ATOM 951 CG1 ILE A 62 1.067 0.271 3.724 1.00 0.48 C ATOM 952 CG2 ILE A 62 1.579 -1.724 5.164 1.00 0.68 C ATOM 953 CD1 ILE A 62 1.654 -0.278 2.424 1.00 0.80 C ATOM 0 H ILE A 62 2.650 2.038 5.177 1.00 0.36 H new ATOM 0 HA ILE A 62 0.380 0.783 6.169 1.00 0.36 H new ATOM 0 HB ILE A 62 2.918 -0.126 4.814 1.00 0.42 H new ATOM 0 HG12 ILE A 62 0.022 -0.029 3.806 1.00 0.48 H new ATOM 0 HG13 ILE A 62 1.085 1.361 3.699 1.00 0.48 H new ATOM 0 HG21 ILE A 62 1.871 -2.273 4.269 1.00 0.68 H new ATOM 0 HG22 ILE A 62 2.160 -2.081 6.014 1.00 0.68 H new ATOM 0 HG23 ILE A 62 0.518 -1.884 5.357 1.00 0.68 H new ATOM 0 HD11 ILE A 62 1.078 0.097 1.578 1.00 0.80 H new ATOM 0 HD12 ILE A 62 2.691 0.044 2.329 1.00 0.80 H new ATOM 0 HD13 ILE A 62 1.612 -1.367 2.437 1.00 0.80 H new ATOM 965 N GLU A 63 3.107 -0.202 7.754 1.00 0.46 N ATOM 966 CA GLU A 63 3.587 -0.870 8.950 1.00 0.58 C ATOM 967 C GLU A 63 3.009 -0.180 10.183 1.00 0.54 C ATOM 968 O GLU A 63 2.283 -0.786 10.971 1.00 0.58 O ATOM 969 CB GLU A 63 5.119 -0.873 8.949 1.00 0.81 C ATOM 970 CG GLU A 63 5.663 -1.795 7.846 1.00 1.32 C ATOM 971 CD GLU A 63 7.173 -1.681 7.680 1.00 1.99 C ATOM 972 OE1 GLU A 63 7.728 -0.644 8.104 1.00 2.43 O ATOM 973 OE2 GLU A 63 7.741 -2.635 7.109 1.00 3.07 O ATOM 0 H GLU A 63 3.850 0.119 7.133 1.00 0.46 H new ATOM 0 HA GLU A 63 3.255 -1.908 8.969 1.00 0.58 H new ATOM 0 HB2 GLU A 63 5.489 0.141 8.797 1.00 0.81 H new ATOM 0 HB3 GLU A 63 5.487 -1.204 9.920 1.00 0.81 H new ATOM 0 HG2 GLU A 63 5.404 -2.828 8.080 1.00 1.32 H new ATOM 0 HG3 GLU A 63 5.178 -1.551 6.901 1.00 1.32 H new ATOM 980 N SER A 64 3.288 1.120 10.292 1.00 0.57 N ATOM 981 CA SER A 64 2.819 1.988 11.357 1.00 0.62 C ATOM 982 C SER A 64 1.292 1.913 11.517 1.00 0.56 C ATOM 983 O SER A 64 0.786 1.986 12.634 1.00 0.80 O ATOM 984 CB SER A 64 3.324 3.412 11.069 1.00 0.67 C ATOM 985 OG SER A 64 2.968 4.310 12.104 1.00 0.77 O ATOM 0 H SER A 64 3.869 1.609 9.612 1.00 0.57 H new ATOM 0 HA SER A 64 3.221 1.660 12.316 1.00 0.62 H new ATOM 0 HB2 SER A 64 4.408 3.398 10.955 1.00 0.67 H new ATOM 0 HB3 SER A 64 2.909 3.762 10.124 1.00 0.67 H new ATOM 0 HG SER A 64 3.305 5.205 11.891 1.00 0.77 H new ATOM 991 N LEU A 65 0.547 1.799 10.416 1.00 0.40 N ATOM 992 CA LEU A 65 -0.905 1.744 10.432 1.00 0.47 C ATOM 993 C LEU A 65 -1.437 0.506 11.143 1.00 0.70 C ATOM 994 O LEU A 65 -2.380 0.614 11.933 1.00 1.34 O ATOM 995 CB LEU A 65 -1.438 1.763 8.993 1.00 0.66 C ATOM 996 CG LEU A 65 -2.228 3.025 8.662 1.00 0.79 C ATOM 997 CD1 LEU A 65 -1.429 4.325 8.833 1.00 2.04 C ATOM 998 CD2 LEU A 65 -2.661 2.888 7.204 1.00 2.27 C ATOM 0 H LEU A 65 0.946 1.742 9.479 1.00 0.40 H new ATOM 0 HA LEU A 65 -1.252 2.617 10.984 1.00 0.47 H new ATOM 0 HB2 LEU A 65 -0.601 1.674 8.301 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -2.074 0.892 8.837 1.00 0.66 H new ATOM 0 HG LEU A 65 -3.065 3.103 9.356 1.00 0.79 H new ATOM 0 HD11 LEU A 65 -2.060 5.176 8.578 1.00 2.04 H new ATOM 0 HD12 LEU A 65 -1.098 4.415 9.868 1.00 2.04 H new ATOM 0 HD13 LEU A 65 -0.561 4.308 8.174 1.00 2.04 H new ATOM 0 HD21 LEU A 65 -3.234 3.768 6.910 1.00 2.27 H new ATOM 0 HD22 LEU A 65 -1.779 2.800 6.569 1.00 2.27 H new ATOM 0 HD23 LEU A 65 -3.280 1.998 7.090 1.00 2.27 H new ATOM 1010 N GLY A 66 -1.003 -0.681 10.720 1.00 0.56 N ATOM 1011 CA GLY A 66 -1.463 -1.912 11.359 1.00 0.83 C ATOM 1012 C GLY A 66 -0.628 -3.176 11.143 1.00 0.74 C ATOM 1013 O GLY A 66 -0.995 -4.218 11.685 1.00 1.13 O ATOM 0 H GLY A 66 -0.346 -0.815 9.952 1.00 0.56 H new ATOM 0 HA2 GLY A 66 -1.526 -1.730 12.432 1.00 0.83 H new ATOM 0 HA3 GLY A 66 -2.475 -2.114 11.009 1.00 0.83 H new ATOM 1017 N PHE A 67 0.374 -3.157 10.261 1.00 0.57 N ATOM 1018 CA PHE A 67 0.658 -4.323 9.427 1.00 0.52 C ATOM 1019 C PHE A 67 2.141 -4.679 9.408 1.00 0.83 C ATOM 1020 O PHE A 67 2.964 -3.981 9.990 1.00 1.62 O ATOM 1021 CB PHE A 67 0.117 -4.035 8.016 1.00 0.50 C ATOM 1022 CG PHE A 67 -1.324 -3.547 8.007 1.00 0.42 C ATOM 1023 CD1 PHE A 67 -2.314 -4.326 8.629 1.00 1.76 C ATOM 1024 CD2 PHE A 67 -1.636 -2.235 7.600 1.00 1.83 C ATOM 1025 CE1 PHE A 67 -3.589 -3.794 8.880 1.00 1.76 C ATOM 1026 CE2 PHE A 67 -2.921 -1.713 7.820 1.00 1.85 C ATOM 1027 CZ PHE A 67 -3.900 -2.495 8.450 1.00 0.48 C ATOM 0 H PHE A 67 0.992 -2.360 10.108 1.00 0.57 H new ATOM 0 HA PHE A 67 0.161 -5.199 9.845 1.00 0.52 H new ATOM 0 HB2 PHE A 67 0.749 -3.286 7.539 1.00 0.50 H new ATOM 0 HB3 PHE A 67 0.189 -4.942 7.416 1.00 0.50 H new ATOM 0 HD1 PHE A 67 -2.092 -5.343 8.917 1.00 1.76 H new ATOM 0 HD2 PHE A 67 -0.884 -1.628 7.117 1.00 1.83 H new ATOM 0 HE1 PHE A 67 -4.328 -4.383 9.403 1.00 1.76 H new ATOM 0 HE2 PHE A 67 -3.156 -0.707 7.503 1.00 1.85 H new ATOM 0 HZ PHE A 67 -4.892 -2.098 8.604 1.00 0.48 H new ATOM 1037 N GLU A 68 2.475 -5.780 8.732 1.00 0.45 N ATOM 1038 CA GLU A 68 3.826 -6.074 8.273 1.00 0.52 C ATOM 1039 C GLU A 68 3.690 -6.299 6.769 1.00 0.58 C ATOM 1040 O GLU A 68 2.593 -6.663 6.325 1.00 0.95 O ATOM 1041 CB GLU A 68 4.293 -7.324 9.011 1.00 0.78 C ATOM 1042 CG GLU A 68 5.784 -7.658 8.972 1.00 1.66 C ATOM 1043 CD GLU A 68 5.975 -8.924 9.791 1.00 2.22 C ATOM 1044 OE1 GLU A 68 5.946 -8.811 11.038 1.00 3.15 O ATOM 1045 OE2 GLU A 68 5.840 -10.023 9.208 1.00 2.91 O ATOM 0 H GLU A 68 1.799 -6.503 8.486 1.00 0.45 H new ATOM 0 HA GLU A 68 4.556 -5.287 8.464 1.00 0.52 H new ATOM 0 HB2 GLU A 68 3.999 -7.226 10.056 1.00 0.78 H new ATOM 0 HB3 GLU A 68 3.748 -8.176 8.605 1.00 0.78 H new ATOM 0 HG2 GLU A 68 6.119 -7.808 7.946 1.00 1.66 H new ATOM 0 HG3 GLU A 68 6.374 -6.839 9.384 1.00 1.66 H new ATOM 1052 N ALA A 69 4.741 -6.045 5.982 1.00 0.83 N ATOM 1053 CA ALA A 69 4.626 -6.002 4.531 1.00 0.91 C ATOM 1054 C ALA A 69 5.873 -6.523 3.817 1.00 0.95 C ATOM 1055 O ALA A 69 6.924 -6.658 4.436 1.00 1.29 O ATOM 1056 CB ALA A 69 4.305 -4.569 4.099 1.00 0.97 C ATOM 0 H ALA A 69 5.682 -5.866 6.333 1.00 0.83 H new ATOM 0 HA ALA A 69 3.816 -6.671 4.239 1.00 0.91 H new ATOM 0 HB1 ALA A 69 4.217 -4.527 3.013 1.00 0.97 H new ATOM 0 HB2 ALA A 69 3.365 -4.255 4.552 1.00 0.97 H new ATOM 0 HB3 ALA A 69 5.105 -3.903 4.424 1.00 0.97 H new ATOM 1062 N SER A 70 5.759 -6.818 2.511 1.00 0.74 N ATOM 1063 CA SER A 70 6.890 -7.263 1.692 1.00 0.76 C ATOM 1064 C SER A 70 6.680 -6.917 0.215 1.00 0.71 C ATOM 1065 O SER A 70 5.581 -7.095 -0.308 1.00 0.59 O ATOM 1066 CB SER A 70 7.109 -8.775 1.862 1.00 0.91 C ATOM 1067 OG SER A 70 8.467 -9.110 1.646 1.00 2.07 O ATOM 0 H SER A 70 4.880 -6.754 1.998 1.00 0.74 H new ATOM 0 HA SER A 70 7.780 -6.736 2.035 1.00 0.76 H new ATOM 0 HB2 SER A 70 6.809 -9.081 2.864 1.00 0.91 H new ATOM 0 HB3 SER A 70 6.478 -9.320 1.160 1.00 0.91 H new ATOM 0 HG SER A 70 8.588 -10.076 1.760 1.00 2.07 H new ATOM 1073 N LEU A 71 7.738 -6.460 -0.466 1.00 1.03 N ATOM 1074 CA LEU A 71 7.727 -6.024 -1.863 1.00 0.99 C ATOM 1075 C LEU A 71 7.647 -7.225 -2.803 1.00 0.83 C ATOM 1076 O LEU A 71 8.579 -7.498 -3.570 1.00 1.47 O ATOM 1077 CB LEU A 71 8.980 -5.178 -2.160 1.00 1.35 C ATOM 1078 CG LEU A 71 9.030 -3.811 -1.455 1.00 1.23 C ATOM 1079 CD1 LEU A 71 9.326 -3.919 0.048 1.00 2.88 C ATOM 1080 CD2 LEU A 71 10.121 -2.950 -2.102 1.00 2.26 C ATOM 0 H LEU A 71 8.661 -6.382 -0.039 1.00 1.03 H new ATOM 0 HA LEU A 71 6.843 -5.408 -2.031 1.00 0.99 H new ATOM 0 HB2 LEU A 71 9.862 -5.750 -1.871 1.00 1.35 H new ATOM 0 HB3 LEU A 71 9.043 -5.016 -3.236 1.00 1.35 H new ATOM 0 HG LEU A 71 8.043 -3.362 -1.567 1.00 1.23 H new ATOM 0 HD11 LEU A 71 9.348 -2.922 0.487 1.00 2.88 H new ATOM 0 HD12 LEU A 71 8.548 -4.511 0.530 1.00 2.88 H new ATOM 0 HD13 LEU A 71 10.292 -4.401 0.195 1.00 2.88 H new ATOM 0 HD21 LEU A 71 10.161 -1.980 -1.606 1.00 2.26 H new ATOM 0 HD22 LEU A 71 11.085 -3.449 -2.002 1.00 2.26 H new ATOM 0 HD23 LEU A 71 9.894 -2.808 -3.159 1.00 2.26 H new ATOM 1092 N VAL A 72 6.518 -7.930 -2.774 1.00 1.03 N ATOM 1093 CA VAL A 72 6.181 -8.891 -3.810 1.00 0.84 C ATOM 1094 C VAL A 72 6.146 -8.183 -5.169 1.00 1.08 C ATOM 1095 O VAL A 72 5.861 -6.990 -5.252 1.00 2.48 O ATOM 1096 CB VAL A 72 4.863 -9.616 -3.483 1.00 0.94 C ATOM 1097 CG1 VAL A 72 5.012 -10.406 -2.178 1.00 1.11 C ATOM 1098 CG2 VAL A 72 3.656 -8.669 -3.421 1.00 1.32 C ATOM 0 H VAL A 72 5.819 -7.849 -2.036 1.00 1.03 H new ATOM 0 HA VAL A 72 6.948 -9.664 -3.856 1.00 0.84 H new ATOM 0 HB VAL A 72 4.661 -10.306 -4.302 1.00 0.94 H new ATOM 0 HG11 VAL A 72 4.076 -10.916 -1.953 1.00 1.11 H new ATOM 0 HG12 VAL A 72 5.809 -11.141 -2.287 1.00 1.11 H new ATOM 0 HG13 VAL A 72 5.257 -9.723 -1.365 1.00 1.11 H new ATOM 0 HG21 VAL A 72 2.757 -9.240 -3.187 1.00 1.32 H new ATOM 0 HG22 VAL A 72 3.821 -7.919 -2.648 1.00 1.32 H new ATOM 0 HG23 VAL A 72 3.531 -8.175 -4.385 1.00 1.32 H new ATOM 1108 N LYS A 73 6.510 -8.905 -6.226 1.00 1.53 N ATOM 1109 CA LYS A 73 6.560 -8.400 -7.589 1.00 1.73 C ATOM 1110 C LYS A 73 5.762 -9.386 -8.434 1.00 2.23 C ATOM 1111 O LYS A 73 6.298 -10.391 -8.895 1.00 3.01 O ATOM 1112 CB LYS A 73 8.027 -8.264 -8.022 1.00 2.40 C ATOM 1113 CG LYS A 73 8.652 -7.024 -7.360 1.00 3.13 C ATOM 1114 CD LYS A 73 10.183 -6.998 -7.490 1.00 4.00 C ATOM 1115 CE LYS A 73 10.896 -7.964 -6.528 1.00 5.56 C ATOM 1116 NZ LYS A 73 10.731 -7.586 -5.107 1.00 6.82 N ATOM 0 H LYS A 73 6.785 -9.884 -6.152 1.00 1.53 H new ATOM 0 HA LYS A 73 6.124 -7.407 -7.699 1.00 1.73 H new ATOM 0 HB2 LYS A 73 8.584 -9.158 -7.740 1.00 2.40 H new ATOM 0 HB3 LYS A 73 8.089 -8.179 -9.107 1.00 2.40 H new ATOM 0 HG2 LYS A 73 8.236 -6.125 -7.815 1.00 3.13 H new ATOM 0 HG3 LYS A 73 8.379 -7.003 -6.305 1.00 3.13 H new ATOM 0 HD2 LYS A 73 10.457 -7.249 -8.515 1.00 4.00 H new ATOM 0 HD3 LYS A 73 10.539 -5.984 -7.305 1.00 4.00 H new ATOM 0 HE2 LYS A 73 10.508 -8.971 -6.678 1.00 5.56 H new ATOM 0 HE3 LYS A 73 11.958 -7.992 -6.770 1.00 5.56 H new ATOM 0 HZ1 LYS A 73 11.352 -8.176 -4.517 1.00 6.82 H new ATOM 0 HZ2 LYS A 73 10.983 -6.585 -4.983 1.00 6.82 H new ATOM 0 HZ3 LYS A 73 9.742 -7.732 -4.822 1.00 6.82 H new ATOM 1130 N ILE A 74 4.461 -9.123 -8.535 1.00 2.67 N ATOM 1131 CA ILE A 74 3.445 -9.950 -9.163 1.00 3.89 C ATOM 1132 C ILE A 74 2.448 -8.975 -9.807 1.00 4.99 C ATOM 1133 O ILE A 74 2.635 -7.762 -9.692 1.00 5.48 O ATOM 1134 CB ILE A 74 2.775 -10.856 -8.100 1.00 5.09 C ATOM 1135 CG1 ILE A 74 2.029 -9.990 -7.073 1.00 5.43 C ATOM 1136 CG2 ILE A 74 3.795 -11.773 -7.411 1.00 6.14 C ATOM 1137 CD1 ILE A 74 1.383 -10.713 -5.893 1.00 6.53 C ATOM 0 H ILE A 74 4.066 -8.264 -8.151 1.00 2.67 H new ATOM 0 HA ILE A 74 3.858 -10.619 -9.918 1.00 3.89 H new ATOM 0 HB ILE A 74 2.058 -11.502 -8.606 1.00 5.09 H new ATOM 0 HG12 ILE A 74 2.730 -9.255 -6.677 1.00 5.43 H new ATOM 0 HG13 ILE A 74 1.250 -9.437 -7.598 1.00 5.43 H new ATOM 0 HG21 ILE A 74 3.286 -12.393 -6.672 1.00 6.14 H new ATOM 0 HG22 ILE A 74 4.271 -12.412 -8.155 1.00 6.14 H new ATOM 0 HG23 ILE A 74 4.553 -11.166 -6.916 1.00 6.14 H new ATOM 0 HD11 ILE A 74 0.891 -9.986 -5.246 1.00 6.53 H new ATOM 0 HD12 ILE A 74 0.647 -11.427 -6.263 1.00 6.53 H new ATOM 0 HD13 ILE A 74 2.149 -11.242 -5.327 1.00 6.53 H new ATOM 1149 N GLU A 75 1.393 -9.501 -10.433 1.00 6.25 N ATOM 1150 CA GLU A 75 0.289 -8.712 -10.955 1.00 8.02 C ATOM 1151 C GLU A 75 -0.802 -8.636 -9.880 1.00 9.12 C ATOM 1152 O GLU A 75 -1.443 -7.575 -9.729 1.00 10.03 O ATOM 1153 CB GLU A 75 -0.237 -9.358 -12.244 1.00 9.38 C ATOM 1154 CG GLU A 75 0.869 -9.654 -13.275 1.00 9.34 C ATOM 1155 CD GLU A 75 1.629 -8.406 -13.715 1.00 9.65 C ATOM 1156 OE1 GLU A 75 0.960 -7.487 -14.237 1.00 10.68 O ATOM 1157 OE2 GLU A 75 2.868 -8.407 -13.553 1.00 9.27 O ATOM 1158 OXT GLU A 75 -0.970 -9.627 -9.130 1.00 9.44 O ATOM 0 H GLU A 75 1.286 -10.503 -10.591 1.00 6.25 H new ATOM 0 HA GLU A 75 0.615 -7.701 -11.199 1.00 8.02 H new ATOM 0 HB2 GLU A 75 -0.748 -10.288 -11.993 1.00 9.38 H new ATOM 0 HB3 GLU A 75 -0.978 -8.699 -12.696 1.00 9.38 H new ATOM 0 HG2 GLU A 75 1.573 -10.369 -12.848 1.00 9.34 H new ATOM 0 HG3 GLU A 75 0.424 -10.128 -14.150 1.00 9.34 H new TER 1165 GLU A 75