USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 43 THR OG1 : rot -13:sc= 1.01 USER MOD Set 1.2: A 46 CYS SG : rot 180:sc= 1.7 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.187 (180deg=-0.742) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.249 (180deg=-0.0151) USER MOD Single : A 5 HIS : no HE2:sc= -8.53! C(o=-8.5!,f=-10!) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.038 (180deg=-0.296) USER MOD Single : A 9 CYS SG : rot -170:sc= -0.915 USER MOD Single : A 22 ASN : amide:sc= -1.51 K(o=-1.5,f=-8.6!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.444 USER MOD Single : A 29 GLN : amide:sc= -1.04 K(o=-1,f=-0.26) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 1.12 (180deg=0.816) USER MOD Single : A 37 CYS SG : rot 168:sc= 1.34 USER MOD Single : A 38 ASN : amide:sc= -2.88 K(o=-2.9,f=-4.3!) USER MOD Single : A 40 CYS SG : rot -160:sc= -2.14 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -149:sc= -2.36! USER MOD Single : A 52 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.6) USER MOD Single : A 53 THR OG1 : rot -72:sc= 0.00362 USER MOD Single : A 55 GLN : amide:sc= -0.0542 K(o=-0.054,f=-0.71) USER MOD Single : A 63 MET CE :methyl 172:sc= -6.07! (180deg=-6.83!) USER MOD Single : A 64 SER OG : rot -95:sc= 1.3 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.639 7.316 16.765 1.00 10.15 N ATOM 2 CA MET A 1 9.858 6.408 15.607 1.00 9.29 C ATOM 3 C MET A 1 8.536 6.040 14.937 1.00 8.34 C ATOM 4 O MET A 1 8.493 5.773 13.734 1.00 7.76 O ATOM 5 CB MET A 1 10.575 5.137 16.066 1.00 9.20 C ATOM 6 CG MET A 1 11.934 5.399 16.695 1.00 10.16 C ATOM 7 SD MET A 1 12.764 3.883 17.211 1.00 10.60 S ATOM 8 CE MET A 1 11.586 3.238 18.394 1.00 10.46 C ATOM 0 H1 MET A 1 10.554 7.684 17.095 1.00 10.15 H new ATOM 0 H2 MET A 1 9.031 8.109 16.475 1.00 10.15 H new ATOM 0 H3 MET A 1 9.178 6.791 17.536 1.00 10.15 H new ATOM 0 HA MET A 1 10.477 6.933 14.879 1.00 9.29 H new ATOM 0 HB2 MET A 1 9.945 4.614 16.786 1.00 9.20 H new ATOM 0 HB3 MET A 1 10.701 4.472 15.211 1.00 9.20 H new ATOM 0 HG2 MET A 1 12.564 5.929 15.981 1.00 10.16 H new ATOM 0 HG3 MET A 1 11.811 6.053 17.558 1.00 10.16 H new ATOM 0 HE1 MET A 1 12.120 2.756 19.213 1.00 10.46 H new ATOM 0 HE2 MET A 1 10.980 4.055 18.786 1.00 10.46 H new ATOM 0 HE3 MET A 1 10.940 2.510 17.904 1.00 10.46 H new ATOM 18 N ASP A 2 7.456 6.048 15.714 1.00 8.30 N ATOM 19 CA ASP A 2 6.139 5.707 15.190 1.00 7.59 C ATOM 20 C ASP A 2 5.769 6.624 14.031 1.00 7.57 C ATOM 21 O ASP A 2 5.220 6.178 13.022 1.00 6.80 O ATOM 22 CB ASP A 2 5.084 5.811 16.293 1.00 7.98 C ATOM 23 CG ASP A 2 5.368 4.879 17.454 1.00 8.24 C ATOM 24 OD1 ASP A 2 6.063 5.305 18.402 1.00 8.51 O ATOM 25 OD2 ASP A 2 4.897 3.723 17.417 1.00 8.43 O1- ATOM 0 H ASP A 2 7.468 6.286 16.706 1.00 8.30 H new ATOM 0 HA ASP A 2 6.172 4.680 14.827 1.00 7.59 H new ATOM 0 HB2 ASP A 2 5.042 6.838 16.657 1.00 7.98 H new ATOM 0 HB3 ASP A 2 4.103 5.580 15.877 1.00 7.98 H new ATOM 30 N TRP A 3 6.084 7.906 14.174 1.00 8.50 N ATOM 31 CA TRP A 3 5.789 8.878 13.131 1.00 8.71 C ATOM 32 C TRP A 3 6.529 8.520 11.848 1.00 8.22 C ATOM 33 O TRP A 3 6.055 8.806 10.751 1.00 7.87 O ATOM 34 CB TRP A 3 6.173 10.287 13.587 1.00 9.94 C ATOM 35 CG TRP A 3 7.560 10.372 14.141 1.00 10.24 C ATOM 36 CD1 TRP A 3 7.948 10.082 15.416 1.00 10.46 C ATOM 37 CD2 TRP A 3 8.742 10.777 13.443 1.00 10.62 C ATOM 38 NE1 TRP A 3 9.299 10.270 15.552 1.00 10.93 N ATOM 39 CE2 TRP A 3 9.810 10.701 14.356 1.00 11.03 C ATOM 40 CE3 TRP A 3 9.003 11.194 12.134 1.00 10.86 C ATOM 41 CZ2 TRP A 3 11.118 11.026 14.002 1.00 11.64 C ATOM 42 CZ3 TRP A 3 10.301 11.517 11.784 1.00 11.49 C ATOM 43 CH2 TRP A 3 11.344 11.432 12.714 1.00 11.85 C ATOM 0 H TRP A 3 6.542 8.294 14.999 1.00 8.50 H new ATOM 0 HA TRP A 3 4.717 8.857 12.934 1.00 8.71 H new ATOM 0 HB2 TRP A 3 6.084 10.971 12.743 1.00 9.94 H new ATOM 0 HB3 TRP A 3 5.465 10.622 14.345 1.00 9.94 H new ATOM 0 HD1 TRP A 3 7.287 9.752 16.204 1.00 10.46 H new ATOM 0 HE1 TRP A 3 9.836 10.114 16.405 1.00 10.93 H new ATOM 0 HE3 TRP A 3 8.205 11.263 11.409 1.00 10.86 H new ATOM 0 HZ2 TRP A 3 11.924 10.960 14.718 1.00 11.64 H new ATOM 0 HZ3 TRP A 3 10.514 11.840 10.776 1.00 11.49 H new ATOM 0 HH2 TRP A 3 12.347 11.692 12.409 1.00 11.85 H new ATOM 54 N ARG A 4 7.692 7.889 11.996 1.00 8.33 N ATOM 55 CA ARG A 4 8.500 7.485 10.848 1.00 8.12 C ATOM 56 C ARG A 4 7.841 6.331 10.097 1.00 6.96 C ATOM 57 O ARG A 4 7.785 6.328 8.862 1.00 6.66 O ATOM 58 CB ARG A 4 9.903 7.076 11.301 1.00 8.77 C ATOM 59 CG ARG A 4 10.649 8.175 12.041 1.00 9.20 C ATOM 60 CD ARG A 4 12.093 7.782 12.312 1.00 9.68 C ATOM 61 NE ARG A 4 12.191 6.525 13.050 1.00 10.56 N ATOM 62 CZ ARG A 4 13.345 5.954 13.389 1.00 11.36 C ATOM 63 NH1 ARG A 4 14.498 6.526 13.062 1.00 11.43 N1+ ATOM 64 NH2 ARG A 4 13.347 4.809 14.056 1.00 12.22 N ATOM 0 H ARG A 4 8.096 7.646 12.901 1.00 8.33 H new ATOM 0 HA ARG A 4 8.578 8.338 10.174 1.00 8.12 H new ATOM 0 HB2 ARG A 4 9.826 6.202 11.947 1.00 8.77 H new ATOM 0 HB3 ARG A 4 10.485 6.778 10.429 1.00 8.77 H new ATOM 0 HG2 ARG A 4 10.625 9.093 11.453 1.00 9.20 H new ATOM 0 HG3 ARG A 4 10.145 8.387 12.984 1.00 9.20 H new ATOM 0 HD2 ARG A 4 12.627 7.689 11.366 1.00 9.68 H new ATOM 0 HD3 ARG A 4 12.584 8.574 12.878 1.00 9.68 H new ATOM 0 HE ARG A 4 11.326 6.058 13.321 1.00 10.56 H new ATOM 0 HH11 ARG A 4 14.503 7.407 12.549 1.00 11.43 H new ATOM 0 HH12 ARG A 4 15.379 6.084 13.324 1.00 11.43 H new ATOM 0 HH21 ARG A 4 12.464 4.365 14.310 1.00 12.22 H new ATOM 0 HH22 ARG A 4 14.231 4.372 14.316 1.00 12.22 H new ATOM 78 N HIS A 5 7.323 5.360 10.844 1.00 6.40 N ATOM 79 CA HIS A 5 6.671 4.208 10.233 1.00 5.38 C ATOM 80 C HIS A 5 5.436 4.659 9.451 1.00 4.78 C ATOM 81 O HIS A 5 5.139 4.163 8.347 1.00 4.11 O ATOM 82 CB HIS A 5 6.279 3.192 11.307 1.00 5.14 C ATOM 83 CG HIS A 5 7.439 2.700 12.119 1.00 5.76 C ATOM 84 ND1 HIS A 5 7.924 3.375 13.219 1.00 6.25 N ATOM 85 CD2 HIS A 5 8.213 1.596 11.990 1.00 6.22 C ATOM 86 CE1 HIS A 5 8.945 2.709 13.729 1.00 6.80 C ATOM 87 NE2 HIS A 5 9.140 1.625 13.003 1.00 6.78 N ATOM 0 H HIS A 5 7.342 5.348 11.864 1.00 6.40 H new ATOM 0 HA HIS A 5 7.368 3.732 9.543 1.00 5.38 H new ATOM 0 HB2 HIS A 5 5.546 3.645 11.974 1.00 5.14 H new ATOM 0 HB3 HIS A 5 5.793 2.341 10.830 1.00 5.14 H new ATOM 0 HD1 HIS A 5 7.552 4.252 13.583 1.00 6.25 H new ATOM 0 HD2 HIS A 5 8.119 0.834 11.231 1.00 6.22 H new ATOM 0 HE1 HIS A 5 9.522 3.002 14.594 1.00 6.80 H new ATOM 96 N LYS A 6 4.762 5.673 9.972 1.00 5.27 N ATOM 97 CA LYS A 6 3.587 6.187 9.302 1.00 5.05 C ATOM 98 C LYS A 6 4.012 7.324 8.387 1.00 5.54 C ATOM 99 O LYS A 6 3.212 7.877 7.621 1.00 5.47 O ATOM 100 CB LYS A 6 2.546 6.674 10.313 1.00 5.70 C ATOM 101 CG LYS A 6 1.804 5.550 11.023 1.00 5.45 C ATOM 102 CD LYS A 6 2.748 4.670 11.826 1.00 6.10 C ATOM 103 CE LYS A 6 1.994 3.581 12.572 1.00 6.27 C ATOM 104 NZ LYS A 6 1.010 4.147 13.535 1.00 6.56 N1+ ATOM 0 H LYS A 6 5.006 6.147 10.842 1.00 5.27 H new ATOM 0 HA LYS A 6 3.126 5.391 8.718 1.00 5.05 H new ATOM 0 HB2 LYS A 6 3.041 7.297 11.058 1.00 5.70 H new ATOM 0 HB3 LYS A 6 1.822 7.306 9.799 1.00 5.70 H new ATOM 0 HG2 LYS A 6 1.050 5.974 11.686 1.00 5.45 H new ATOM 0 HG3 LYS A 6 1.276 4.942 10.288 1.00 5.45 H new ATOM 0 HD2 LYS A 6 3.480 4.215 11.158 1.00 6.10 H new ATOM 0 HD3 LYS A 6 3.302 5.283 12.537 1.00 6.10 H new ATOM 0 HE2 LYS A 6 1.476 2.943 11.856 1.00 6.27 H new ATOM 0 HE3 LYS A 6 2.703 2.949 13.107 1.00 6.27 H new ATOM 0 HZ1 LYS A 6 0.717 3.408 14.206 1.00 6.56 H new ATOM 0 HZ2 LYS A 6 1.447 4.934 14.056 1.00 6.56 H new ATOM 0 HZ3 LYS A 6 0.178 4.495 13.017 1.00 6.56 H new ATOM 118 N ALA A 7 5.301 7.644 8.455 1.00 6.18 N ATOM 119 CA ALA A 7 5.875 8.666 7.606 1.00 6.81 C ATOM 120 C ALA A 7 5.885 8.129 6.203 1.00 6.18 C ATOM 121 O ALA A 7 5.505 8.811 5.254 1.00 6.24 O ATOM 122 CB ALA A 7 7.281 9.046 8.050 1.00 7.83 C ATOM 0 H ALA A 7 5.964 7.205 9.094 1.00 6.18 H new ATOM 0 HA ALA A 7 5.279 9.576 7.668 1.00 6.81 H new ATOM 0 HB1 ALA A 7 7.676 9.816 7.387 1.00 7.83 H new ATOM 0 HB2 ALA A 7 7.250 9.427 9.071 1.00 7.83 H new ATOM 0 HB3 ALA A 7 7.925 8.167 8.011 1.00 7.83 H new ATOM 128 N VAL A 8 6.319 6.877 6.083 1.00 5.69 N ATOM 129 CA VAL A 8 6.333 6.225 4.796 1.00 5.34 C ATOM 130 C VAL A 8 4.906 5.803 4.458 1.00 4.24 C ATOM 131 O VAL A 8 4.568 5.611 3.289 1.00 4.15 O ATOM 132 CB VAL A 8 7.298 5.024 4.743 1.00 5.55 C ATOM 133 CG1 VAL A 8 7.636 4.683 3.297 1.00 5.75 C ATOM 134 CG2 VAL A 8 8.570 5.323 5.529 1.00 6.55 C ATOM 0 H VAL A 8 6.660 6.307 6.857 1.00 5.69 H new ATOM 0 HA VAL A 8 6.705 6.930 4.053 1.00 5.34 H new ATOM 0 HB VAL A 8 6.806 4.165 5.199 1.00 5.55 H new ATOM 0 HG11 VAL A 8 8.318 3.833 3.273 1.00 5.75 H new ATOM 0 HG12 VAL A 8 6.722 4.430 2.760 1.00 5.75 H new ATOM 0 HG13 VAL A 8 8.110 5.542 2.822 1.00 5.75 H new ATOM 0 HG21 VAL A 8 9.239 4.464 5.480 1.00 6.55 H new ATOM 0 HG22 VAL A 8 9.066 6.194 5.101 1.00 6.55 H new ATOM 0 HG23 VAL A 8 8.316 5.526 6.569 1.00 6.55 H new ATOM 144 N CYS A 9 4.059 5.665 5.499 1.00 3.54 N ATOM 145 CA CYS A 9 2.644 5.339 5.281 1.00 2.62 C ATOM 146 C CYS A 9 2.054 6.297 4.253 1.00 2.96 C ATOM 147 O CYS A 9 1.751 5.923 3.119 1.00 2.62 O ATOM 148 CB CYS A 9 1.830 5.493 6.573 1.00 2.45 C ATOM 149 SG CYS A 9 1.361 3.944 7.393 1.00 1.43 S ATOM 0 H CYS A 9 4.327 5.772 6.477 1.00 3.54 H new ATOM 0 HA CYS A 9 2.594 4.306 4.938 1.00 2.62 H new ATOM 0 HB2 CYS A 9 2.407 6.095 7.275 1.00 2.45 H new ATOM 0 HB3 CYS A 9 0.922 6.052 6.345 1.00 2.45 H new ATOM 0 HG CYS A 9 0.510 4.196 8.343 1.00 1.43 H new ATOM 154 N ARG A 10 1.899 7.548 4.686 1.00 3.85 N ATOM 155 CA ARG A 10 1.330 8.608 3.850 1.00 4.48 C ATOM 156 C ARG A 10 2.265 9.021 2.712 1.00 4.75 C ATOM 157 O ARG A 10 1.822 9.572 1.705 1.00 4.85 O ATOM 158 CB ARG A 10 0.992 9.829 4.709 1.00 5.52 C ATOM 159 CG ARG A 10 0.356 10.967 3.928 1.00 6.10 C ATOM 160 CD ARG A 10 -0.942 10.532 3.267 1.00 6.70 C ATOM 161 NE ARG A 10 -1.928 10.076 4.245 1.00 6.91 N ATOM 162 CZ ARG A 10 -3.140 9.632 3.923 1.00 7.57 C ATOM 163 NH1 ARG A 10 -3.521 9.583 2.652 1.00 8.09 N1+ ATOM 164 NH2 ARG A 10 -3.974 9.235 4.874 1.00 7.93 N ATOM 0 H ARG A 10 2.163 7.856 5.622 1.00 3.85 H new ATOM 0 HA ARG A 10 0.423 8.207 3.398 1.00 4.48 H new ATOM 0 HB2 ARG A 10 0.315 9.525 5.507 1.00 5.52 H new ATOM 0 HB3 ARG A 10 1.903 10.191 5.185 1.00 5.52 H new ATOM 0 HG2 ARG A 10 0.162 11.805 4.597 1.00 6.10 H new ATOM 0 HG3 ARG A 10 1.052 11.321 3.168 1.00 6.10 H new ATOM 0 HD2 ARG A 10 -1.355 11.364 2.697 1.00 6.70 H new ATOM 0 HD3 ARG A 10 -0.737 9.730 2.558 1.00 6.70 H new ATOM 0 HE ARG A 10 -1.672 10.100 5.232 1.00 6.91 H new ATOM 0 HH11 ARG A 10 -2.883 9.887 1.916 1.00 8.09 H new ATOM 0 HH12 ARG A 10 -4.452 9.242 2.411 1.00 8.09 H new ATOM 0 HH21 ARG A 10 -3.686 9.270 5.852 1.00 7.93 H new ATOM 0 HH22 ARG A 10 -4.903 8.894 4.628 1.00 7.93 H new ATOM 178 N ASP A 11 3.554 8.754 2.876 1.00 5.06 N ATOM 179 CA ASP A 11 4.550 9.120 1.870 1.00 5.61 C ATOM 180 C ASP A 11 4.646 8.086 0.751 1.00 5.08 C ATOM 181 O ASP A 11 5.559 8.141 -0.072 1.00 5.61 O ATOM 182 CB ASP A 11 5.922 9.322 2.515 1.00 6.59 C ATOM 183 CG ASP A 11 6.006 10.619 3.298 1.00 7.41 C ATOM 184 OD1 ASP A 11 7.006 11.349 3.130 1.00 7.77 O ATOM 185 OD2 ASP A 11 5.070 10.909 4.071 1.00 7.89 O1- ATOM 0 H ASP A 11 3.938 8.285 3.696 1.00 5.06 H new ATOM 0 HA ASP A 11 4.221 10.059 1.425 1.00 5.61 H new ATOM 0 HB2 ASP A 11 6.135 8.485 3.180 1.00 6.59 H new ATOM 0 HB3 ASP A 11 6.689 9.318 1.741 1.00 6.59 H new ATOM 190 N GLU A 12 3.706 7.145 0.715 1.00 4.19 N ATOM 191 CA GLU A 12 3.706 6.116 -0.306 1.00 3.98 C ATOM 192 C GLU A 12 3.070 6.673 -1.589 1.00 3.29 C ATOM 193 O GLU A 12 3.302 7.833 -1.929 1.00 3.16 O ATOM 194 CB GLU A 12 2.955 4.888 0.227 1.00 3.93 C ATOM 195 CG GLU A 12 3.695 3.579 0.007 1.00 4.52 C ATOM 196 CD GLU A 12 4.818 3.373 1.005 1.00 5.23 C ATOM 197 OE1 GLU A 12 5.966 3.754 0.693 1.00 5.69 O ATOM 198 OE2 GLU A 12 4.549 2.833 2.098 1.00 5.68 O1- ATOM 0 H GLU A 12 2.938 7.079 1.383 1.00 4.19 H new ATOM 0 HA GLU A 12 4.723 5.809 -0.550 1.00 3.98 H new ATOM 0 HB2 GLU A 12 2.774 5.018 1.294 1.00 3.93 H new ATOM 0 HB3 GLU A 12 1.980 4.830 -0.257 1.00 3.93 H new ATOM 0 HG2 GLU A 12 2.991 2.750 0.081 1.00 4.52 H new ATOM 0 HG3 GLU A 12 4.103 3.561 -1.004 1.00 4.52 H new ATOM 205 N ASP A 13 2.279 5.876 -2.303 1.00 3.08 N ATOM 206 CA ASP A 13 1.658 6.350 -3.537 1.00 2.63 C ATOM 207 C ASP A 13 0.176 6.620 -3.319 1.00 1.80 C ATOM 208 O ASP A 13 -0.563 5.730 -2.899 1.00 1.58 O ATOM 209 CB ASP A 13 1.841 5.335 -4.683 1.00 2.89 C ATOM 210 CG ASP A 13 1.206 5.801 -5.977 1.00 3.75 C ATOM 211 OD1 ASP A 13 1.125 4.988 -6.920 1.00 4.07 O ATOM 212 OD2 ASP A 13 0.790 6.975 -6.048 1.00 4.38 O1- ATOM 0 H ASP A 13 2.055 4.913 -2.053 1.00 3.08 H new ATOM 0 HA ASP A 13 2.154 7.279 -3.819 1.00 2.63 H new ATOM 0 HB2 ASP A 13 2.905 5.163 -4.845 1.00 2.89 H new ATOM 0 HB3 ASP A 13 1.405 4.380 -4.391 1.00 2.89 H new ATOM 217 N PRO A 14 -0.287 7.854 -3.594 1.00 1.83 N ATOM 218 CA PRO A 14 -1.698 8.201 -3.439 1.00 1.75 C ATOM 219 C PRO A 14 -2.578 7.208 -4.182 1.00 1.81 C ATOM 220 O PRO A 14 -3.751 7.027 -3.856 1.00 2.21 O ATOM 221 CB PRO A 14 -1.812 9.604 -4.056 1.00 2.45 C ATOM 222 CG PRO A 14 -0.523 9.834 -4.777 1.00 2.84 C ATOM 223 CD PRO A 14 0.504 8.996 -4.073 1.00 2.56 C ATOM 0 HA PRO A 14 -2.024 8.178 -2.399 1.00 1.75 H new ATOM 0 HB2 PRO A 14 -2.659 9.664 -4.739 1.00 2.45 H new ATOM 0 HB3 PRO A 14 -1.970 10.359 -3.286 1.00 2.45 H new ATOM 0 HG2 PRO A 14 -0.607 9.548 -5.826 1.00 2.84 H new ATOM 0 HG3 PRO A 14 -0.247 10.888 -4.755 1.00 2.84 H new ATOM 0 HD2 PRO A 14 1.302 8.682 -4.746 1.00 2.56 H new ATOM 0 HD3 PRO A 14 0.974 9.536 -3.251 1.00 2.56 H new ATOM 231 N GLU A 15 -1.992 6.563 -5.188 1.00 1.83 N ATOM 232 CA GLU A 15 -2.697 5.572 -5.978 1.00 2.05 C ATOM 233 C GLU A 15 -2.991 4.324 -5.142 1.00 1.84 C ATOM 234 O GLU A 15 -3.871 3.534 -5.484 1.00 2.30 O ATOM 235 CB GLU A 15 -1.882 5.225 -7.232 1.00 2.31 C ATOM 236 CG GLU A 15 -1.548 6.443 -8.075 1.00 3.05 C ATOM 237 CD GLU A 15 -0.935 6.070 -9.404 1.00 4.04 C ATOM 238 OE1 GLU A 15 -0.200 6.900 -9.977 1.00 4.57 O ATOM 239 OE2 GLU A 15 -1.190 4.943 -9.869 1.00 4.66 O1- ATOM 0 H GLU A 15 -1.024 6.715 -5.472 1.00 1.83 H new ATOM 0 HA GLU A 15 -3.653 5.987 -6.296 1.00 2.05 H new ATOM 0 HB2 GLU A 15 -0.957 4.731 -6.933 1.00 2.31 H new ATOM 0 HB3 GLU A 15 -2.442 4.513 -7.838 1.00 2.31 H new ATOM 0 HG2 GLU A 15 -2.455 7.024 -8.246 1.00 3.05 H new ATOM 0 HG3 GLU A 15 -0.858 7.084 -7.526 1.00 3.05 H new ATOM 246 N LEU A 16 -2.249 4.150 -4.045 1.00 1.54 N ATOM 247 CA LEU A 16 -2.459 3.003 -3.157 1.00 1.99 C ATOM 248 C LEU A 16 -3.663 3.240 -2.254 1.00 2.62 C ATOM 249 O LEU A 16 -4.238 2.300 -1.705 1.00 3.26 O ATOM 250 CB LEU A 16 -1.195 2.713 -2.327 1.00 2.13 C ATOM 251 CG LEU A 16 0.098 2.617 -3.148 1.00 2.14 C ATOM 252 CD1 LEU A 16 1.000 1.478 -2.683 1.00 2.40 C ATOM 253 CD2 LEU A 16 -0.229 2.418 -4.603 1.00 2.38 C ATOM 0 H LEU A 16 -1.504 4.782 -3.752 1.00 1.54 H new ATOM 0 HA LEU A 16 -2.662 2.126 -3.772 1.00 1.99 H new ATOM 0 HB2 LEU A 16 -1.078 3.498 -1.580 1.00 2.13 H new ATOM 0 HB3 LEU A 16 -1.337 1.777 -1.787 1.00 2.13 H new ATOM 0 HG LEU A 16 0.636 3.554 -3.002 1.00 2.14 H new ATOM 0 HD11 LEU A 16 1.901 1.454 -3.296 1.00 2.40 H new ATOM 0 HD12 LEU A 16 1.275 1.634 -1.640 1.00 2.40 H new ATOM 0 HD13 LEU A 16 0.469 0.531 -2.780 1.00 2.40 H new ATOM 0 HD21 LEU A 16 0.695 2.351 -5.178 1.00 2.38 H new ATOM 0 HD22 LEU A 16 -0.800 1.497 -4.725 1.00 2.38 H new ATOM 0 HD23 LEU A 16 -0.819 3.261 -4.962 1.00 2.38 H new ATOM 265 N PHE A 17 -4.040 4.506 -2.106 1.00 2.64 N ATOM 266 CA PHE A 17 -5.195 4.871 -1.302 1.00 3.41 C ATOM 267 C PHE A 17 -6.369 5.241 -2.208 1.00 3.84 C ATOM 268 O PHE A 17 -7.497 5.404 -1.745 1.00 4.59 O ATOM 269 CB PHE A 17 -4.855 6.043 -0.379 1.00 3.49 C ATOM 270 CG PHE A 17 -3.731 5.750 0.573 1.00 3.24 C ATOM 271 CD1 PHE A 17 -3.987 5.211 1.824 1.00 3.31 C ATOM 272 CD2 PHE A 17 -2.417 6.015 0.219 1.00 3.50 C ATOM 273 CE1 PHE A 17 -2.956 4.940 2.703 1.00 3.33 C ATOM 274 CE2 PHE A 17 -1.382 5.746 1.094 1.00 3.56 C ATOM 275 CZ PHE A 17 -1.651 5.209 2.337 1.00 3.33 C ATOM 0 H PHE A 17 -3.559 5.297 -2.535 1.00 2.64 H new ATOM 0 HA PHE A 17 -5.476 4.015 -0.688 1.00 3.41 H new ATOM 0 HB2 PHE A 17 -4.590 6.908 -0.986 1.00 3.49 H new ATOM 0 HB3 PHE A 17 -5.743 6.315 0.192 1.00 3.49 H new ATOM 0 HD1 PHE A 17 -5.005 5.000 2.115 1.00 3.31 H new ATOM 0 HD2 PHE A 17 -2.200 6.436 -0.751 1.00 3.50 H new ATOM 0 HE1 PHE A 17 -3.170 4.519 3.674 1.00 3.33 H new ATOM 0 HE2 PHE A 17 -0.363 5.956 0.806 1.00 3.56 H new ATOM 0 HZ PHE A 17 -0.843 5.000 3.022 1.00 3.33 H new ATOM 285 N PHE A 18 -6.091 5.371 -3.508 1.00 3.47 N ATOM 286 CA PHE A 18 -7.118 5.713 -4.485 1.00 3.96 C ATOM 287 C PHE A 18 -7.047 4.771 -5.690 1.00 3.55 C ATOM 288 O PHE A 18 -5.990 4.622 -6.303 1.00 2.91 O ATOM 289 CB PHE A 18 -6.952 7.162 -4.944 1.00 4.23 C ATOM 290 CG PHE A 18 -7.233 8.169 -3.866 1.00 4.89 C ATOM 291 CD1 PHE A 18 -6.391 8.285 -2.771 1.00 5.32 C ATOM 292 CD2 PHE A 18 -8.338 9.000 -3.947 1.00 5.32 C ATOM 293 CE1 PHE A 18 -6.647 9.212 -1.778 1.00 5.95 C ATOM 294 CE2 PHE A 18 -8.600 9.927 -2.957 1.00 5.93 C ATOM 295 CZ PHE A 18 -7.753 10.034 -1.872 1.00 6.17 C ATOM 0 H PHE A 18 -5.160 5.243 -3.905 1.00 3.47 H new ATOM 0 HA PHE A 18 -8.093 5.602 -4.011 1.00 3.96 H new ATOM 0 HB2 PHE A 18 -5.934 7.305 -5.307 1.00 4.23 H new ATOM 0 HB3 PHE A 18 -7.620 7.347 -5.785 1.00 4.23 H new ATOM 0 HD1 PHE A 18 -5.525 7.644 -2.693 1.00 5.32 H new ATOM 0 HD2 PHE A 18 -9.003 8.922 -4.794 1.00 5.32 H new ATOM 0 HE1 PHE A 18 -5.983 9.293 -0.930 1.00 5.95 H new ATOM 0 HE2 PHE A 18 -9.466 10.567 -3.032 1.00 5.93 H new ATOM 0 HZ PHE A 18 -7.955 10.759 -1.098 1.00 6.17 H new ATOM 305 N PRO A 19 -8.170 4.120 -6.047 1.00 4.05 N ATOM 306 CA PRO A 19 -8.213 3.192 -7.185 1.00 3.82 C ATOM 307 C PRO A 19 -7.837 3.865 -8.504 1.00 3.22 C ATOM 308 O PRO A 19 -8.292 4.971 -8.799 1.00 3.47 O ATOM 309 CB PRO A 19 -9.674 2.730 -7.226 1.00 4.70 C ATOM 310 CG PRO A 19 -10.211 3.014 -5.866 1.00 5.41 C ATOM 311 CD PRO A 19 -9.477 4.229 -5.378 1.00 5.00 C ATOM 0 HA PRO A 19 -7.498 2.379 -7.063 1.00 3.82 H new ATOM 0 HB2 PRO A 19 -10.235 3.266 -7.991 1.00 4.70 H new ATOM 0 HB3 PRO A 19 -9.745 1.669 -7.464 1.00 4.70 H new ATOM 0 HG2 PRO A 19 -11.285 3.195 -5.900 1.00 5.41 H new ATOM 0 HG3 PRO A 19 -10.051 2.167 -5.199 1.00 5.41 H new ATOM 0 HD2 PRO A 19 -9.994 5.149 -5.651 1.00 5.00 H new ATOM 0 HD3 PRO A 19 -9.376 4.230 -4.293 1.00 5.00 H new ATOM 319 N VAL A 20 -7.004 3.192 -9.295 1.00 2.75 N ATOM 320 CA VAL A 20 -6.574 3.719 -10.583 1.00 2.39 C ATOM 321 C VAL A 20 -7.748 3.861 -11.541 1.00 2.36 C ATOM 322 O VAL A 20 -8.750 3.154 -11.426 1.00 2.67 O ATOM 323 CB VAL A 20 -5.519 2.805 -11.233 1.00 2.54 C ATOM 324 CG1 VAL A 20 -5.117 3.328 -12.605 1.00 2.80 C ATOM 325 CG2 VAL A 20 -4.309 2.668 -10.327 1.00 2.90 C ATOM 0 H VAL A 20 -6.614 2.278 -9.063 1.00 2.75 H new ATOM 0 HA VAL A 20 -6.140 4.700 -10.392 1.00 2.39 H new ATOM 0 HB VAL A 20 -5.958 1.817 -11.370 1.00 2.54 H new ATOM 0 HG11 VAL A 20 -4.371 2.665 -13.043 1.00 2.80 H new ATOM 0 HG12 VAL A 20 -5.994 3.365 -13.252 1.00 2.80 H new ATOM 0 HG13 VAL A 20 -4.698 4.329 -12.504 1.00 2.80 H new ATOM 0 HG21 VAL A 20 -3.572 2.019 -10.800 1.00 2.90 H new ATOM 0 HG22 VAL A 20 -3.870 3.651 -10.155 1.00 2.90 H new ATOM 0 HG23 VAL A 20 -4.615 2.236 -9.374 1.00 2.90 H new ATOM 335 N GLY A 21 -7.615 4.782 -12.486 1.00 2.42 N ATOM 336 CA GLY A 21 -8.659 4.992 -13.463 1.00 2.52 C ATOM 337 C GLY A 21 -8.521 4.053 -14.647 1.00 2.65 C ATOM 338 O GLY A 21 -8.883 2.880 -14.559 1.00 3.01 O ATOM 0 H GLY A 21 -6.801 5.387 -12.592 1.00 2.42 H new ATOM 0 HA2 GLY A 21 -9.631 4.844 -12.993 1.00 2.52 H new ATOM 0 HA3 GLY A 21 -8.628 6.024 -13.812 1.00 2.52 H new ATOM 342 N ASN A 22 -7.996 4.567 -15.754 1.00 2.69 N ATOM 343 CA ASN A 22 -7.817 3.762 -16.957 1.00 3.11 C ATOM 344 C ASN A 22 -6.362 3.764 -17.431 1.00 3.00 C ATOM 345 O ASN A 22 -6.085 3.405 -18.575 1.00 3.47 O ATOM 346 CB ASN A 22 -8.725 4.278 -18.073 1.00 3.74 C ATOM 347 CG ASN A 22 -10.192 4.229 -17.694 1.00 3.98 C ATOM 348 OD1 ASN A 22 -10.547 4.351 -16.523 1.00 4.04 O ATOM 349 ND2 ASN A 22 -11.054 4.050 -18.689 1.00 4.46 N ATOM 0 H ASN A 22 -7.688 5.535 -15.843 1.00 2.69 H new ATOM 0 HA ASN A 22 -8.087 2.735 -16.709 1.00 3.11 H new ATOM 0 HB2 ASN A 22 -8.450 5.304 -18.316 1.00 3.74 H new ATOM 0 HB3 ASN A 22 -8.565 3.683 -18.972 1.00 3.74 H new ATOM 0 HD21 ASN A 22 -12.055 4.009 -18.496 1.00 4.46 H new ATOM 0 HD22 ASN A 22 -10.715 3.953 -19.646 1.00 4.46 H new ATOM 356 N SER A 23 -5.429 4.161 -16.562 1.00 2.51 N ATOM 357 CA SER A 23 -4.026 4.214 -16.953 1.00 2.53 C ATOM 358 C SER A 23 -3.241 3.003 -16.470 1.00 2.10 C ATOM 359 O SER A 23 -3.610 2.347 -15.496 1.00 1.90 O ATOM 360 CB SER A 23 -3.380 5.488 -16.407 1.00 2.85 C ATOM 361 OG SER A 23 -3.445 5.525 -14.993 1.00 2.71 O ATOM 0 H SER A 23 -5.618 4.445 -15.601 1.00 2.51 H new ATOM 0 HA SER A 23 -3.998 4.213 -18.043 1.00 2.53 H new ATOM 0 HB2 SER A 23 -2.340 5.539 -16.728 1.00 2.85 H new ATOM 0 HB3 SER A 23 -3.884 6.361 -16.821 1.00 2.85 H new ATOM 0 HG SER A 23 -3.024 6.348 -14.668 1.00 2.71 H new ATOM 367 N GLY A 24 -2.150 2.721 -17.174 1.00 2.24 N ATOM 368 CA GLY A 24 -1.279 1.620 -16.811 1.00 1.95 C ATOM 369 C GLY A 24 -0.174 2.076 -15.882 1.00 1.72 C ATOM 370 O GLY A 24 0.120 1.407 -14.891 1.00 1.47 O ATOM 0 H GLY A 24 -1.852 3.242 -17.998 1.00 2.24 H new ATOM 0 HA2 GLY A 24 -1.862 0.836 -16.328 1.00 1.95 H new ATOM 0 HA3 GLY A 24 -0.844 1.185 -17.711 1.00 1.95 H new ATOM 374 N PRO A 25 0.462 3.223 -16.181 1.00 1.91 N ATOM 375 CA PRO A 25 1.514 3.785 -15.340 1.00 1.84 C ATOM 376 C PRO A 25 1.080 3.848 -13.891 1.00 1.53 C ATOM 377 O PRO A 25 1.908 3.816 -12.984 1.00 1.42 O ATOM 378 CB PRO A 25 1.734 5.184 -15.914 1.00 2.19 C ATOM 379 CG PRO A 25 1.344 5.059 -17.342 1.00 2.48 C ATOM 380 CD PRO A 25 0.218 4.061 -17.375 1.00 2.31 C ATOM 0 HA PRO A 25 2.423 3.183 -15.345 1.00 1.84 H new ATOM 0 HB2 PRO A 25 1.124 5.926 -15.398 1.00 2.19 H new ATOM 0 HB3 PRO A 25 2.773 5.498 -15.811 1.00 2.19 H new ATOM 0 HG2 PRO A 25 1.026 6.020 -17.746 1.00 2.48 H new ATOM 0 HG3 PRO A 25 2.184 4.721 -17.948 1.00 2.48 H new ATOM 0 HD2 PRO A 25 -0.754 4.552 -17.329 1.00 2.31 H new ATOM 0 HD3 PRO A 25 0.233 3.469 -18.290 1.00 2.31 H new ATOM 388 N ALA A 26 -0.225 3.944 -13.678 1.00 1.49 N ATOM 389 CA ALA A 26 -0.757 4.020 -12.324 1.00 1.32 C ATOM 390 C ALA A 26 -0.380 2.774 -11.547 1.00 1.06 C ATOM 391 O ALA A 26 -0.132 2.818 -10.344 1.00 0.93 O ATOM 392 CB ALA A 26 -2.270 4.154 -12.338 1.00 1.52 C ATOM 0 H ALA A 26 -0.928 3.971 -14.416 1.00 1.49 H new ATOM 0 HA ALA A 26 -0.329 4.901 -11.846 1.00 1.32 H new ATOM 0 HB1 ALA A 26 -2.640 4.209 -11.314 1.00 1.52 H new ATOM 0 HB2 ALA A 26 -2.550 5.061 -12.874 1.00 1.52 H new ATOM 0 HB3 ALA A 26 -2.707 3.289 -12.836 1.00 1.52 H new ATOM 398 N LEU A 27 -0.345 1.665 -12.252 1.00 1.12 N ATOM 399 CA LEU A 27 0.011 0.390 -11.663 1.00 1.08 C ATOM 400 C LEU A 27 1.480 0.393 -11.311 1.00 1.01 C ATOM 401 O LEU A 27 1.890 -0.147 -10.286 1.00 0.98 O ATOM 402 CB LEU A 27 -0.287 -0.729 -12.649 1.00 1.35 C ATOM 403 CG LEU A 27 -1.771 -0.948 -12.999 1.00 1.62 C ATOM 404 CD1 LEU A 27 -2.613 0.280 -12.675 1.00 2.10 C ATOM 405 CD2 LEU A 27 -1.911 -1.303 -14.470 1.00 2.05 C ATOM 0 H LEU A 27 -0.562 1.620 -13.248 1.00 1.12 H new ATOM 0 HA LEU A 27 -0.574 0.229 -10.757 1.00 1.08 H new ATOM 0 HB2 LEU A 27 0.257 -0.527 -13.572 1.00 1.35 H new ATOM 0 HB3 LEU A 27 0.110 -1.659 -12.242 1.00 1.35 H new ATOM 0 HG LEU A 27 -2.139 -1.773 -12.389 1.00 1.62 H new ATOM 0 HD11 LEU A 27 -3.654 0.087 -12.936 1.00 2.10 H new ATOM 0 HD12 LEU A 27 -2.541 0.500 -11.610 1.00 2.10 H new ATOM 0 HD13 LEU A 27 -2.248 1.133 -13.247 1.00 2.10 H new ATOM 0 HD21 LEU A 27 -2.963 -1.456 -14.709 1.00 2.05 H new ATOM 0 HD22 LEU A 27 -1.515 -0.491 -15.080 1.00 2.05 H new ATOM 0 HD23 LEU A 27 -1.355 -2.217 -14.678 1.00 2.05 H new ATOM 417 N ALA A 28 2.271 0.992 -12.183 1.00 1.16 N ATOM 418 CA ALA A 28 3.695 1.097 -11.949 1.00 1.33 C ATOM 419 C ALA A 28 3.940 2.054 -10.800 1.00 1.26 C ATOM 420 O ALA A 28 4.858 1.872 -10.000 1.00 1.31 O ATOM 421 CB ALA A 28 4.415 1.563 -13.207 1.00 1.68 C ATOM 0 H ALA A 28 1.950 1.411 -13.056 1.00 1.16 H new ATOM 0 HA ALA A 28 4.092 0.116 -11.688 1.00 1.33 H new ATOM 0 HB1 ALA A 28 5.484 1.635 -13.009 1.00 1.68 H new ATOM 0 HB2 ALA A 28 4.243 0.848 -14.011 1.00 1.68 H new ATOM 0 HB3 ALA A 28 4.034 2.540 -13.503 1.00 1.68 H new ATOM 427 N GLN A 29 3.090 3.072 -10.721 1.00 1.24 N ATOM 428 CA GLN A 29 3.198 4.071 -9.661 1.00 1.29 C ATOM 429 C GLN A 29 2.809 3.431 -8.337 1.00 1.03 C ATOM 430 O GLN A 29 3.535 3.504 -7.331 1.00 1.10 O ATOM 431 CB GLN A 29 2.277 5.257 -9.973 1.00 1.50 C ATOM 432 CG GLN A 29 2.581 6.500 -9.149 1.00 1.85 C ATOM 433 CD GLN A 29 4.022 6.967 -9.284 1.00 1.88 C ATOM 434 OE1 GLN A 29 4.599 7.505 -8.340 1.00 2.46 O ATOM 435 NE2 GLN A 29 4.609 6.773 -10.462 1.00 2.13 N ATOM 0 H GLN A 29 2.322 3.228 -11.374 1.00 1.24 H new ATOM 0 HA GLN A 29 4.223 4.436 -9.596 1.00 1.29 H new ATOM 0 HB2 GLN A 29 2.362 5.503 -11.031 1.00 1.50 H new ATOM 0 HB3 GLN A 29 1.243 4.959 -9.797 1.00 1.50 H new ATOM 0 HG2 GLN A 29 1.914 7.305 -9.457 1.00 1.85 H new ATOM 0 HG3 GLN A 29 2.369 6.294 -8.100 1.00 1.85 H new ATOM 0 HE21 GLN A 29 4.096 6.323 -11.220 1.00 2.13 H new ATOM 0 HE22 GLN A 29 5.573 7.074 -10.607 1.00 2.13 H new ATOM 444 N ILE A 30 1.659 2.769 -8.363 1.00 0.85 N ATOM 445 CA ILE A 30 1.165 2.049 -7.221 1.00 0.87 C ATOM 446 C ILE A 30 2.133 0.953 -6.796 1.00 0.85 C ATOM 447 O ILE A 30 2.377 0.740 -5.608 1.00 1.00 O ATOM 448 CB ILE A 30 -0.192 1.394 -7.545 1.00 1.07 C ATOM 449 CG1 ILE A 30 -1.303 2.434 -7.604 1.00 1.31 C ATOM 450 CG2 ILE A 30 -0.516 0.322 -6.528 1.00 1.39 C ATOM 451 CD1 ILE A 30 -2.649 1.859 -7.972 1.00 1.41 C ATOM 0 H ILE A 30 1.051 2.723 -9.181 1.00 0.85 H new ATOM 0 HA ILE A 30 1.054 2.769 -6.410 1.00 0.87 H new ATOM 0 HB ILE A 30 -0.118 0.929 -8.528 1.00 1.07 H new ATOM 0 HG12 ILE A 30 -1.380 2.927 -6.635 1.00 1.31 H new ATOM 0 HG13 ILE A 30 -1.034 3.201 -8.331 1.00 1.31 H new ATOM 0 HG21 ILE A 30 -1.477 -0.131 -6.771 1.00 1.39 H new ATOM 0 HG22 ILE A 30 0.260 -0.443 -6.546 1.00 1.39 H new ATOM 0 HG23 ILE A 30 -0.565 0.766 -5.534 1.00 1.39 H new ATOM 0 HD11 ILE A 30 -3.391 2.657 -7.995 1.00 1.41 H new ATOM 0 HD12 ILE A 30 -2.589 1.391 -8.955 1.00 1.41 H new ATOM 0 HD13 ILE A 30 -2.940 1.113 -7.233 1.00 1.41 H new ATOM 463 N ALA A 31 2.678 0.272 -7.781 1.00 0.86 N ATOM 464 CA ALA A 31 3.607 -0.819 -7.544 1.00 1.12 C ATOM 465 C ALA A 31 4.835 -0.324 -6.802 1.00 1.15 C ATOM 466 O ALA A 31 5.440 -1.054 -6.021 1.00 1.34 O ATOM 467 CB ALA A 31 4.007 -1.470 -8.859 1.00 1.36 C ATOM 0 H ALA A 31 2.492 0.456 -8.767 1.00 0.86 H new ATOM 0 HA ALA A 31 3.110 -1.565 -6.924 1.00 1.12 H new ATOM 0 HB1 ALA A 31 4.703 -2.286 -8.664 1.00 1.36 H new ATOM 0 HB2 ALA A 31 3.119 -1.862 -9.356 1.00 1.36 H new ATOM 0 HB3 ALA A 31 4.485 -0.730 -9.501 1.00 1.36 H new ATOM 473 N ASP A 32 5.193 0.927 -7.045 1.00 1.13 N ATOM 474 CA ASP A 32 6.370 1.505 -6.420 1.00 1.35 C ATOM 475 C ASP A 32 6.111 1.741 -4.953 1.00 1.35 C ATOM 476 O ASP A 32 6.960 1.471 -4.104 1.00 1.51 O ATOM 477 CB ASP A 32 6.773 2.811 -7.107 1.00 1.57 C ATOM 478 CG ASP A 32 7.240 2.596 -8.533 1.00 1.77 C ATOM 479 OD1 ASP A 32 6.759 3.320 -9.431 1.00 1.97 O ATOM 480 OD2 ASP A 32 8.087 1.705 -8.753 1.00 2.21 O1- ATOM 0 H ASP A 32 4.688 1.558 -7.667 1.00 1.13 H new ATOM 0 HA ASP A 32 7.196 0.801 -6.527 1.00 1.35 H new ATOM 0 HB2 ASP A 32 5.925 3.496 -7.105 1.00 1.57 H new ATOM 0 HB3 ASP A 32 7.569 3.288 -6.535 1.00 1.57 H new ATOM 485 N ALA A 33 4.925 2.237 -4.661 1.00 1.25 N ATOM 486 CA ALA A 33 4.553 2.498 -3.285 1.00 1.40 C ATOM 487 C ALA A 33 4.372 1.192 -2.527 1.00 1.47 C ATOM 488 O ALA A 33 4.697 1.098 -1.344 1.00 1.68 O ATOM 489 CB ALA A 33 3.295 3.328 -3.232 1.00 1.46 C ATOM 0 H ALA A 33 4.209 2.465 -5.350 1.00 1.25 H new ATOM 0 HA ALA A 33 5.355 3.060 -2.806 1.00 1.40 H new ATOM 0 HB1 ALA A 33 3.027 3.517 -2.192 1.00 1.46 H new ATOM 0 HB2 ALA A 33 3.463 4.277 -3.741 1.00 1.46 H new ATOM 0 HB3 ALA A 33 2.484 2.791 -3.724 1.00 1.46 H new ATOM 495 N LYS A 34 3.848 0.183 -3.216 1.00 1.40 N ATOM 496 CA LYS A 34 3.636 -1.119 -2.606 1.00 1.66 C ATOM 497 C LYS A 34 4.965 -1.733 -2.183 1.00 1.71 C ATOM 498 O LYS A 34 5.056 -2.381 -1.141 1.00 2.01 O ATOM 499 CB LYS A 34 2.912 -2.057 -3.571 1.00 1.75 C ATOM 500 CG LYS A 34 2.455 -3.354 -2.922 1.00 1.91 C ATOM 501 CD LYS A 34 1.839 -4.300 -3.938 1.00 2.07 C ATOM 502 CE LYS A 34 1.288 -5.551 -3.274 1.00 2.56 C ATOM 503 NZ LYS A 34 0.224 -5.232 -2.282 1.00 2.85 N1+ ATOM 0 H LYS A 34 3.564 0.244 -4.194 1.00 1.40 H new ATOM 0 HA LYS A 34 3.014 -0.981 -1.722 1.00 1.66 H new ATOM 0 HB2 LYS A 34 2.046 -1.542 -3.986 1.00 1.75 H new ATOM 0 HB3 LYS A 34 3.574 -2.290 -4.405 1.00 1.75 H new ATOM 0 HG2 LYS A 34 3.304 -3.839 -2.440 1.00 1.91 H new ATOM 0 HG3 LYS A 34 1.727 -3.134 -2.141 1.00 1.91 H new ATOM 0 HD2 LYS A 34 1.039 -3.789 -4.474 1.00 2.07 H new ATOM 0 HD3 LYS A 34 2.589 -4.580 -4.677 1.00 2.07 H new ATOM 0 HE2 LYS A 34 0.885 -6.219 -4.036 1.00 2.56 H new ATOM 0 HE3 LYS A 34 2.098 -6.085 -2.778 1.00 2.56 H new ATOM 0 HZ1 LYS A 34 -0.308 -6.096 -2.054 1.00 2.85 H new ATOM 0 HZ2 LYS A 34 0.659 -4.854 -1.416 1.00 2.85 H new ATOM 0 HZ3 LYS A 34 -0.423 -4.523 -2.683 1.00 2.85 H new ATOM 517 N LEU A 35 6.001 -1.526 -2.997 1.00 1.51 N ATOM 518 CA LEU A 35 7.322 -2.057 -2.687 1.00 1.62 C ATOM 519 C LEU A 35 7.902 -1.335 -1.480 1.00 1.70 C ATOM 520 O LEU A 35 8.471 -1.956 -0.582 1.00 1.88 O ATOM 521 CB LEU A 35 8.258 -1.904 -3.888 1.00 1.54 C ATOM 522 CG LEU A 35 7.984 -2.841 -5.075 1.00 1.68 C ATOM 523 CD1 LEU A 35 6.614 -3.498 -4.963 1.00 2.31 C ATOM 524 CD2 LEU A 35 8.100 -2.074 -6.382 1.00 1.65 C ATOM 0 H LEU A 35 5.949 -0.998 -3.868 1.00 1.51 H new ATOM 0 HA LEU A 35 7.225 -3.118 -2.456 1.00 1.62 H new ATOM 0 HB2 LEU A 35 8.199 -0.875 -4.241 1.00 1.54 H new ATOM 0 HB3 LEU A 35 9.281 -2.067 -3.550 1.00 1.54 H new ATOM 0 HG LEU A 35 8.732 -3.634 -5.059 1.00 1.68 H new ATOM 0 HD11 LEU A 35 6.454 -4.154 -5.819 1.00 2.31 H new ATOM 0 HD12 LEU A 35 6.565 -4.082 -4.044 1.00 2.31 H new ATOM 0 HD13 LEU A 35 5.842 -2.729 -4.946 1.00 2.31 H new ATOM 0 HD21 LEU A 35 7.904 -2.747 -7.217 1.00 1.65 H new ATOM 0 HD22 LEU A 35 7.374 -1.261 -6.393 1.00 1.65 H new ATOM 0 HD23 LEU A 35 9.105 -1.663 -6.475 1.00 1.65 H new ATOM 536 N VAL A 36 7.748 -0.017 -1.472 1.00 1.67 N ATOM 537 CA VAL A 36 8.242 0.801 -0.368 1.00 1.92 C ATOM 538 C VAL A 36 7.470 0.498 0.915 1.00 2.27 C ATOM 539 O VAL A 36 8.056 0.390 1.992 1.00 2.56 O ATOM 540 CB VAL A 36 8.135 2.305 -0.688 1.00 2.08 C ATOM 541 CG1 VAL A 36 8.630 3.144 0.483 1.00 2.44 C ATOM 542 CG2 VAL A 36 8.916 2.638 -1.951 1.00 1.96 C ATOM 0 H VAL A 36 7.287 0.509 -2.214 1.00 1.67 H new ATOM 0 HA VAL A 36 9.293 0.551 -0.225 1.00 1.92 H new ATOM 0 HB VAL A 36 7.085 2.543 -0.857 1.00 2.08 H new ATOM 0 HG11 VAL A 36 8.545 4.202 0.234 1.00 2.44 H new ATOM 0 HG12 VAL A 36 8.027 2.929 1.365 1.00 2.44 H new ATOM 0 HG13 VAL A 36 9.673 2.902 0.689 1.00 2.44 H new ATOM 0 HG21 VAL A 36 8.829 3.704 -2.162 1.00 1.96 H new ATOM 0 HG22 VAL A 36 9.965 2.380 -1.808 1.00 1.96 H new ATOM 0 HG23 VAL A 36 8.513 2.069 -2.789 1.00 1.96 H new ATOM 552 N CYS A 37 6.153 0.364 0.791 1.00 2.30 N ATOM 553 CA CYS A 37 5.300 0.066 1.938 1.00 2.78 C ATOM 554 C CYS A 37 5.666 -1.286 2.538 1.00 3.05 C ATOM 555 O CYS A 37 5.568 -1.488 3.749 1.00 3.55 O ATOM 556 CB CYS A 37 3.825 0.074 1.519 1.00 2.92 C ATOM 557 SG CYS A 37 2.653 -0.338 2.857 1.00 2.70 S ATOM 0 H CYS A 37 5.652 0.457 -0.093 1.00 2.30 H new ATOM 0 HA CYS A 37 5.456 0.836 2.693 1.00 2.78 H new ATOM 0 HB2 CYS A 37 3.577 1.061 1.128 1.00 2.92 H new ATOM 0 HB3 CYS A 37 3.689 -0.636 0.703 1.00 2.92 H new ATOM 0 HG CYS A 37 1.442 -0.062 2.473 1.00 2.70 H new ATOM 562 N ASN A 38 6.089 -2.209 1.680 1.00 2.91 N ATOM 563 CA ASN A 38 6.472 -3.546 2.119 1.00 3.45 C ATOM 564 C ASN A 38 7.894 -3.556 2.673 1.00 3.36 C ATOM 565 O ASN A 38 8.217 -4.350 3.557 1.00 3.83 O ATOM 566 CB ASN A 38 6.361 -4.538 0.958 1.00 3.70 C ATOM 567 CG ASN A 38 4.948 -4.653 0.411 1.00 3.92 C ATOM 568 OD1 ASN A 38 4.753 -4.826 -0.792 1.00 4.18 O ATOM 569 ND2 ASN A 38 3.954 -4.567 1.289 1.00 4.10 N ATOM 0 H ASN A 38 6.175 -2.055 0.675 1.00 2.91 H new ATOM 0 HA ASN A 38 5.790 -3.846 2.915 1.00 3.45 H new ATOM 0 HB2 ASN A 38 7.031 -4.228 0.156 1.00 3.70 H new ATOM 0 HB3 ASN A 38 6.697 -5.520 1.292 1.00 3.70 H new ATOM 0 HD21 ASN A 38 2.987 -4.645 0.974 1.00 4.10 H new ATOM 0 HD22 ASN A 38 4.158 -4.423 2.278 1.00 4.10 H new ATOM 576 N ARG A 39 8.742 -2.671 2.153 1.00 2.85 N ATOM 577 CA ARG A 39 10.128 -2.595 2.604 1.00 2.71 C ATOM 578 C ARG A 39 10.308 -1.538 3.694 1.00 2.32 C ATOM 579 O ARG A 39 11.389 -1.411 4.270 1.00 2.32 O ATOM 580 CB ARG A 39 11.052 -2.284 1.424 1.00 2.85 C ATOM 581 CG ARG A 39 11.041 -3.355 0.345 1.00 3.52 C ATOM 582 CD ARG A 39 11.504 -4.697 0.888 1.00 4.09 C ATOM 583 NE ARG A 39 11.499 -5.736 -0.139 1.00 4.53 N ATOM 584 CZ ARG A 39 11.871 -6.995 0.078 1.00 5.23 C ATOM 585 NH1 ARG A 39 12.280 -7.376 1.281 1.00 5.50 N1+ ATOM 586 NH2 ARG A 39 11.836 -7.876 -0.914 1.00 5.96 N ATOM 0 H ARG A 39 8.495 -2.001 1.424 1.00 2.85 H new ATOM 0 HA ARG A 39 10.391 -3.565 3.027 1.00 2.71 H new ATOM 0 HB2 ARG A 39 10.756 -1.332 0.983 1.00 2.85 H new ATOM 0 HB3 ARG A 39 12.070 -2.162 1.793 1.00 2.85 H new ATOM 0 HG2 ARG A 39 10.034 -3.453 -0.061 1.00 3.52 H new ATOM 0 HG3 ARG A 39 11.688 -3.051 -0.478 1.00 3.52 H new ATOM 0 HD2 ARG A 39 12.510 -4.595 1.295 1.00 4.09 H new ATOM 0 HD3 ARG A 39 10.856 -4.998 1.711 1.00 4.09 H new ATOM 0 HE ARG A 39 11.192 -5.481 -1.078 1.00 4.53 H new ATOM 0 HH11 ARG A 39 12.311 -6.702 2.046 1.00 5.50 H new ATOM 0 HH12 ARG A 39 12.564 -8.343 1.441 1.00 5.50 H new ATOM 0 HH21 ARG A 39 11.524 -7.588 -1.841 1.00 5.96 H new ATOM 0 HH22 ARG A 39 12.121 -8.841 -0.749 1.00 5.96 H new ATOM 600 N CYS A 40 9.251 -0.781 3.975 1.00 2.21 N ATOM 601 CA CYS A 40 9.303 0.247 5.007 1.00 2.26 C ATOM 602 C CYS A 40 9.239 -0.393 6.392 1.00 2.61 C ATOM 603 O CYS A 40 8.671 -1.473 6.557 1.00 2.77 O ATOM 604 CB CYS A 40 8.159 1.257 4.806 1.00 2.34 C ATOM 605 SG CYS A 40 7.338 1.837 6.333 1.00 1.86 S ATOM 0 H CYS A 40 8.350 -0.861 3.503 1.00 2.21 H new ATOM 0 HA CYS A 40 10.247 0.786 4.928 1.00 2.26 H new ATOM 0 HB2 CYS A 40 8.553 2.124 4.275 1.00 2.34 H new ATOM 0 HB3 CYS A 40 7.407 0.803 4.161 1.00 2.34 H new ATOM 0 HG CYS A 40 6.169 2.323 6.039 1.00 1.86 H new ATOM 610 N PRO A 41 9.826 0.267 7.405 1.00 2.99 N ATOM 611 CA PRO A 41 9.831 -0.231 8.782 1.00 3.58 C ATOM 612 C PRO A 41 8.508 -0.886 9.178 1.00 3.72 C ATOM 613 O PRO A 41 7.498 -0.208 9.366 1.00 4.42 O ATOM 614 CB PRO A 41 10.072 1.043 9.583 1.00 4.16 C ATOM 615 CG PRO A 41 10.957 1.861 8.708 1.00 3.79 C ATOM 616 CD PRO A 41 10.542 1.556 7.290 1.00 3.10 C ATOM 0 HA PRO A 41 10.574 -1.012 8.945 1.00 3.58 H new ATOM 0 HB2 PRO A 41 9.137 1.560 9.800 1.00 4.16 H new ATOM 0 HB3 PRO A 41 10.547 0.828 10.540 1.00 4.16 H new ATOM 0 HG2 PRO A 41 10.847 2.923 8.926 1.00 3.79 H new ATOM 0 HG3 PRO A 41 12.005 1.609 8.870 1.00 3.79 H new ATOM 0 HD2 PRO A 41 9.899 2.337 6.884 1.00 3.10 H new ATOM 0 HD3 PRO A 41 11.405 1.478 6.628 1.00 3.10 H new ATOM 624 N VAL A 42 8.525 -2.210 9.293 1.00 3.42 N ATOM 625 CA VAL A 42 7.335 -2.971 9.656 1.00 3.71 C ATOM 626 C VAL A 42 6.857 -2.621 11.064 1.00 3.72 C ATOM 627 O VAL A 42 7.658 -2.495 11.990 1.00 4.29 O ATOM 628 CB VAL A 42 7.596 -4.487 9.570 1.00 4.48 C ATOM 629 CG1 VAL A 42 8.680 -4.904 10.552 1.00 4.82 C ATOM 630 CG2 VAL A 42 6.313 -5.264 9.816 1.00 5.23 C ATOM 0 H VAL A 42 9.356 -2.781 9.139 1.00 3.42 H new ATOM 0 HA VAL A 42 6.557 -2.701 8.942 1.00 3.71 H new ATOM 0 HB VAL A 42 7.946 -4.718 8.564 1.00 4.48 H new ATOM 0 HG11 VAL A 42 8.848 -5.978 10.474 1.00 4.82 H new ATOM 0 HG12 VAL A 42 9.604 -4.375 10.320 1.00 4.82 H new ATOM 0 HG13 VAL A 42 8.366 -4.658 11.566 1.00 4.82 H new ATOM 0 HG21 VAL A 42 6.517 -6.333 9.751 1.00 5.23 H new ATOM 0 HG22 VAL A 42 5.929 -5.027 10.808 1.00 5.23 H new ATOM 0 HG23 VAL A 42 5.572 -4.990 9.065 1.00 5.23 H new ATOM 640 N THR A 43 5.543 -2.466 11.215 1.00 3.43 N ATOM 641 CA THR A 43 4.955 -2.125 12.506 1.00 3.73 C ATOM 642 C THR A 43 3.738 -2.968 12.842 1.00 3.66 C ATOM 643 O THR A 43 3.136 -3.619 11.978 1.00 3.29 O ATOM 644 CB THR A 43 4.504 -0.656 12.561 1.00 3.96 C ATOM 645 OG1 THR A 43 3.516 -0.407 11.554 1.00 3.69 O ATOM 646 CG2 THR A 43 5.670 0.286 12.381 1.00 4.50 C ATOM 0 H THR A 43 4.867 -2.571 10.459 1.00 3.43 H new ATOM 0 HA THR A 43 5.750 -2.316 13.227 1.00 3.73 H new ATOM 0 HB THR A 43 4.073 -0.475 13.546 1.00 3.96 H new ATOM 0 HG1 THR A 43 3.494 -1.158 10.924 1.00 3.69 H new ATOM 0 HG21 THR A 43 5.316 1.316 12.425 1.00 4.50 H new ATOM 0 HG22 THR A 43 6.399 0.119 13.174 1.00 4.50 H new ATOM 0 HG23 THR A 43 6.138 0.105 11.414 1.00 4.50 H new ATOM 654 N THR A 44 3.373 -2.925 14.117 1.00 4.35 N ATOM 655 CA THR A 44 2.202 -3.622 14.603 1.00 4.63 C ATOM 656 C THR A 44 0.979 -3.150 13.828 1.00 3.94 C ATOM 657 O THR A 44 -0.004 -3.873 13.695 1.00 4.00 O ATOM 658 CB THR A 44 1.985 -3.378 16.111 1.00 5.70 C ATOM 659 OG1 THR A 44 3.128 -3.825 16.848 1.00 6.41 O ATOM 660 CG2 THR A 44 0.742 -4.101 16.609 1.00 6.27 C ATOM 0 H THR A 44 3.881 -2.408 14.835 1.00 4.35 H new ATOM 0 HA THR A 44 2.353 -4.691 14.454 1.00 4.63 H new ATOM 0 HB THR A 44 1.847 -2.308 16.264 1.00 5.70 H new ATOM 0 HG1 THR A 44 2.984 -3.665 17.804 1.00 6.41 H new ATOM 0 HG21 THR A 44 0.613 -3.912 17.675 1.00 6.27 H new ATOM 0 HG22 THR A 44 -0.132 -3.738 16.068 1.00 6.27 H new ATOM 0 HG23 THR A 44 0.853 -5.172 16.442 1.00 6.27 H new ATOM 668 N GLU A 45 1.046 -1.913 13.331 1.00 3.59 N ATOM 669 CA GLU A 45 -0.054 -1.339 12.566 1.00 3.30 C ATOM 670 C GLU A 45 -0.360 -2.192 11.340 1.00 2.69 C ATOM 671 O GLU A 45 -1.517 -2.508 11.058 1.00 2.95 O ATOM 672 CB GLU A 45 0.303 0.082 12.114 1.00 3.58 C ATOM 673 CG GLU A 45 -0.836 0.799 11.410 1.00 3.98 C ATOM 674 CD GLU A 45 -2.048 0.985 12.302 1.00 4.30 C ATOM 675 OE1 GLU A 45 -2.922 0.093 12.308 1.00 4.58 O ATOM 676 OE2 GLU A 45 -2.123 2.022 12.993 1.00 4.71 O1- ATOM 0 H GLU A 45 1.849 -1.294 13.446 1.00 3.59 H new ATOM 0 HA GLU A 45 -0.934 -1.309 13.208 1.00 3.30 H new ATOM 0 HB2 GLU A 45 0.607 0.665 12.983 1.00 3.58 H new ATOM 0 HB3 GLU A 45 1.162 0.037 11.445 1.00 3.58 H new ATOM 0 HG2 GLU A 45 -0.490 1.774 11.066 1.00 3.98 H new ATOM 0 HG3 GLU A 45 -1.125 0.233 10.524 1.00 3.98 H new ATOM 683 N CYS A 46 0.691 -2.564 10.622 1.00 2.29 N ATOM 684 CA CYS A 46 0.549 -3.367 9.411 1.00 2.34 C ATOM 685 C CYS A 46 0.126 -4.799 9.736 1.00 2.72 C ATOM 686 O CYS A 46 -0.779 -5.344 9.102 1.00 3.24 O ATOM 687 CB CYS A 46 1.858 -3.380 8.601 1.00 2.42 C ATOM 688 SG CYS A 46 3.007 -2.010 8.975 1.00 2.25 S ATOM 0 H CYS A 46 1.654 -2.323 10.856 1.00 2.29 H new ATOM 0 HA CYS A 46 -0.234 -2.905 8.809 1.00 2.34 H new ATOM 0 HB2 CYS A 46 2.371 -4.325 8.782 1.00 2.42 H new ATOM 0 HB3 CYS A 46 1.612 -3.349 7.540 1.00 2.42 H new ATOM 0 HG CYS A 46 4.072 -2.124 8.238 1.00 2.25 H new ATOM 693 N LEU A 47 0.776 -5.407 10.731 1.00 2.97 N ATOM 694 CA LEU A 47 0.453 -6.785 11.111 1.00 3.78 C ATOM 695 C LEU A 47 -0.929 -6.891 11.744 1.00 4.19 C ATOM 696 O LEU A 47 -1.726 -7.755 11.384 1.00 4.73 O ATOM 697 CB LEU A 47 1.493 -7.343 12.087 1.00 4.40 C ATOM 698 CG LEU A 47 2.892 -7.559 11.510 1.00 4.55 C ATOM 699 CD1 LEU A 47 2.819 -8.236 10.150 1.00 4.85 C ATOM 700 CD2 LEU A 47 3.631 -6.238 11.416 1.00 5.05 C ATOM 0 H LEU A 47 1.518 -4.975 11.281 1.00 2.97 H new ATOM 0 HA LEU A 47 0.462 -7.371 10.192 1.00 3.78 H new ATOM 0 HB2 LEU A 47 1.570 -6.663 12.935 1.00 4.40 H new ATOM 0 HB3 LEU A 47 1.128 -8.295 12.474 1.00 4.40 H new ATOM 0 HG LEU A 47 3.444 -8.217 12.181 1.00 4.55 H new ATOM 0 HD11 LEU A 47 3.827 -8.379 9.760 1.00 4.85 H new ATOM 0 HD12 LEU A 47 2.329 -9.204 10.251 1.00 4.85 H new ATOM 0 HD13 LEU A 47 2.249 -7.611 9.462 1.00 4.85 H new ATOM 0 HD21 LEU A 47 4.626 -6.406 11.004 1.00 5.05 H new ATOM 0 HD22 LEU A 47 3.079 -5.558 10.767 1.00 5.05 H new ATOM 0 HD23 LEU A 47 3.720 -5.799 12.410 1.00 5.05 H new ATOM 712 N SER A 48 -1.204 -6.002 12.687 1.00 4.20 N ATOM 713 CA SER A 48 -2.478 -6.002 13.397 1.00 4.87 C ATOM 714 C SER A 48 -3.651 -5.778 12.457 1.00 4.81 C ATOM 715 O SER A 48 -4.702 -6.400 12.605 1.00 5.48 O ATOM 716 CB SER A 48 -2.476 -4.935 14.492 1.00 5.23 C ATOM 717 OG SER A 48 -1.520 -5.236 15.493 1.00 5.85 O ATOM 0 H SER A 48 -0.560 -5.268 12.980 1.00 4.20 H new ATOM 0 HA SER A 48 -2.598 -6.986 13.850 1.00 4.87 H new ATOM 0 HB2 SER A 48 -2.256 -3.961 14.055 1.00 5.23 H new ATOM 0 HB3 SER A 48 -3.467 -4.867 14.940 1.00 5.23 H new ATOM 0 HG SER A 48 -1.832 -4.893 16.357 1.00 5.85 H new ATOM 723 N TRP A 49 -3.469 -4.894 11.494 1.00 4.23 N ATOM 724 CA TRP A 49 -4.530 -4.592 10.540 1.00 4.59 C ATOM 725 C TRP A 49 -4.794 -5.784 9.629 1.00 4.95 C ATOM 726 O TRP A 49 -5.944 -6.152 9.393 1.00 5.71 O ATOM 727 CB TRP A 49 -4.179 -3.361 9.706 1.00 4.34 C ATOM 728 CG TRP A 49 -5.376 -2.739 9.056 1.00 5.19 C ATOM 729 CD1 TRP A 49 -5.987 -3.145 7.904 1.00 5.74 C ATOM 730 CD2 TRP A 49 -6.113 -1.605 9.525 1.00 5.86 C ATOM 731 NE1 TRP A 49 -7.059 -2.330 7.628 1.00 6.60 N ATOM 732 CE2 TRP A 49 -7.157 -1.377 8.607 1.00 6.66 C ATOM 733 CE3 TRP A 49 -5.992 -0.760 10.632 1.00 6.10 C ATOM 734 CZ2 TRP A 49 -8.072 -0.340 8.765 1.00 7.52 C ATOM 735 CZ3 TRP A 49 -6.902 0.270 10.786 1.00 7.03 C ATOM 736 CH2 TRP A 49 -7.930 0.472 9.857 1.00 7.67 C ATOM 0 H TRP A 49 -2.604 -4.373 11.348 1.00 4.23 H new ATOM 0 HA TRP A 49 -5.437 -4.379 11.106 1.00 4.59 H new ATOM 0 HB2 TRP A 49 -3.693 -2.623 10.344 1.00 4.34 H new ATOM 0 HB3 TRP A 49 -3.459 -3.642 8.937 1.00 4.34 H new ATOM 0 HD1 TRP A 49 -5.674 -3.983 7.299 1.00 5.74 H new ATOM 0 HE1 TRP A 49 -7.681 -2.420 6.824 1.00 6.60 H new ATOM 0 HE3 TRP A 49 -5.202 -0.909 11.354 1.00 6.10 H new ATOM 0 HZ2 TRP A 49 -8.866 -0.182 8.051 1.00 7.52 H new ATOM 0 HZ3 TRP A 49 -6.818 0.930 11.637 1.00 7.03 H new ATOM 0 HH2 TRP A 49 -8.625 1.285 10.005 1.00 7.67 H new ATOM 747 N ALA A 50 -3.724 -6.385 9.117 1.00 4.62 N ATOM 748 CA ALA A 50 -3.854 -7.538 8.237 1.00 5.25 C ATOM 749 C ALA A 50 -4.503 -8.707 8.965 1.00 5.86 C ATOM 750 O ALA A 50 -5.312 -9.436 8.394 1.00 6.61 O ATOM 751 CB ALA A 50 -2.494 -7.948 7.696 1.00 5.08 C ATOM 0 H ALA A 50 -2.763 -6.094 9.296 1.00 4.62 H new ATOM 0 HA ALA A 50 -4.495 -7.255 7.402 1.00 5.25 H new ATOM 0 HB1 ALA A 50 -2.608 -8.811 7.040 1.00 5.08 H new ATOM 0 HB2 ALA A 50 -2.061 -7.120 7.134 1.00 5.08 H new ATOM 0 HB3 ALA A 50 -1.836 -8.207 8.525 1.00 5.08 H new ATOM 757 N LEU A 51 -4.138 -8.883 10.231 1.00 5.70 N ATOM 758 CA LEU A 51 -4.686 -9.966 11.040 1.00 6.44 C ATOM 759 C LEU A 51 -6.155 -9.728 11.356 1.00 6.99 C ATOM 760 O LEU A 51 -6.940 -10.671 11.464 1.00 7.73 O ATOM 761 CB LEU A 51 -3.888 -10.120 12.337 1.00 6.49 C ATOM 762 CG LEU A 51 -2.458 -10.635 12.161 1.00 6.39 C ATOM 763 CD1 LEU A 51 -1.743 -10.691 13.502 1.00 6.17 C ATOM 764 CD2 LEU A 51 -2.464 -12.006 11.500 1.00 6.43 C ATOM 0 H LEU A 51 -3.466 -8.290 10.718 1.00 5.70 H new ATOM 0 HA LEU A 51 -4.607 -10.887 10.463 1.00 6.44 H new ATOM 0 HB2 LEU A 51 -3.850 -9.153 12.839 1.00 6.49 H new ATOM 0 HB3 LEU A 51 -4.425 -10.802 12.997 1.00 6.49 H new ATOM 0 HG LEU A 51 -1.919 -9.943 11.514 1.00 6.39 H new ATOM 0 HD11 LEU A 51 -0.727 -11.060 13.358 1.00 6.17 H new ATOM 0 HD12 LEU A 51 -1.708 -9.693 13.938 1.00 6.17 H new ATOM 0 HD13 LEU A 51 -2.280 -11.361 14.173 1.00 6.17 H new ATOM 0 HD21 LEU A 51 -1.439 -12.358 11.382 1.00 6.43 H new ATOM 0 HD22 LEU A 51 -3.019 -12.708 12.123 1.00 6.43 H new ATOM 0 HD23 LEU A 51 -2.938 -11.936 10.521 1.00 6.43 H new ATOM 776 N ASN A 52 -6.521 -8.463 11.504 1.00 6.71 N ATOM 777 CA ASN A 52 -7.898 -8.099 11.817 1.00 7.39 C ATOM 778 C ASN A 52 -8.822 -8.364 10.638 1.00 7.94 C ATOM 779 O ASN A 52 -9.980 -8.742 10.816 1.00 8.70 O ATOM 780 CB ASN A 52 -7.982 -6.627 12.227 1.00 7.10 C ATOM 781 CG ASN A 52 -7.261 -6.347 13.531 1.00 7.03 C ATOM 782 OD1 ASN A 52 -7.171 -7.212 14.402 1.00 7.08 O ATOM 783 ND2 ASN A 52 -6.743 -5.131 13.672 1.00 7.21 N ATOM 0 H ASN A 52 -5.885 -7.671 11.413 1.00 6.71 H new ATOM 0 HA ASN A 52 -8.224 -8.721 12.651 1.00 7.39 H new ATOM 0 HB2 ASN A 52 -7.554 -6.008 11.438 1.00 7.10 H new ATOM 0 HB3 ASN A 52 -9.029 -6.339 12.325 1.00 7.10 H new ATOM 0 HD21 ASN A 52 -6.247 -4.884 14.528 1.00 7.21 H new ATOM 0 HD22 ASN A 52 -6.841 -4.445 12.924 1.00 7.21 H new ATOM 790 N THR A 53 -8.304 -8.166 9.436 1.00 7.71 N ATOM 791 CA THR A 53 -9.087 -8.386 8.225 1.00 8.40 C ATOM 792 C THR A 53 -8.685 -9.680 7.523 1.00 8.70 C ATOM 793 O THR A 53 -9.281 -10.061 6.516 1.00 9.31 O ATOM 794 CB THR A 53 -8.922 -7.217 7.240 1.00 8.44 C ATOM 795 OG1 THR A 53 -7.591 -7.210 6.708 1.00 7.93 O ATOM 796 CG2 THR A 53 -9.197 -5.894 7.933 1.00 8.38 C ATOM 0 H THR A 53 -7.347 -7.854 9.271 1.00 7.71 H new ATOM 0 HA THR A 53 -10.129 -8.459 8.536 1.00 8.40 H new ATOM 0 HB THR A 53 -9.638 -7.346 6.428 1.00 8.44 H new ATOM 0 HG1 THR A 53 -6.962 -6.925 7.404 1.00 7.93 H new ATOM 0 HG21 THR A 53 -9.075 -5.078 7.221 1.00 8.38 H new ATOM 0 HG22 THR A 53 -10.217 -5.890 8.319 1.00 8.38 H new ATOM 0 HG23 THR A 53 -8.497 -5.763 8.758 1.00 8.38 H new ATOM 804 N GLY A 54 -7.672 -10.354 8.059 1.00 8.39 N ATOM 805 CA GLY A 54 -7.219 -11.601 7.472 1.00 8.75 C ATOM 806 C GLY A 54 -6.681 -11.420 6.064 1.00 8.83 C ATOM 807 O GLY A 54 -6.689 -12.357 5.266 1.00 9.34 O ATOM 0 H GLY A 54 -7.157 -10.059 8.889 1.00 8.39 H new ATOM 0 HA2 GLY A 54 -6.441 -12.034 8.102 1.00 8.75 H new ATOM 0 HA3 GLY A 54 -8.046 -12.311 7.453 1.00 8.75 H new ATOM 811 N GLN A 55 -6.210 -10.214 5.757 1.00 8.43 N ATOM 812 CA GLN A 55 -5.680 -9.920 4.430 1.00 8.55 C ATOM 813 C GLN A 55 -4.188 -9.617 4.489 1.00 7.96 C ATOM 814 O GLN A 55 -3.709 -9.001 5.438 1.00 7.58 O ATOM 815 CB GLN A 55 -6.427 -8.737 3.812 1.00 8.86 C ATOM 816 CG GLN A 55 -7.919 -8.978 3.648 1.00 9.52 C ATOM 817 CD GLN A 55 -8.222 -10.163 2.752 1.00 10.46 C ATOM 818 OE1 GLN A 55 -7.458 -10.479 1.841 1.00 10.94 O ATOM 819 NE2 GLN A 55 -9.344 -10.827 3.009 1.00 10.88 N ATOM 0 H GLN A 55 -6.185 -9.428 6.407 1.00 8.43 H new ATOM 0 HA GLN A 55 -5.826 -10.802 3.807 1.00 8.55 H new ATOM 0 HB2 GLN A 55 -6.276 -7.857 4.437 1.00 8.86 H new ATOM 0 HB3 GLN A 55 -5.994 -8.514 2.837 1.00 8.86 H new ATOM 0 HG2 GLN A 55 -8.367 -9.144 4.628 1.00 9.52 H new ATOM 0 HG3 GLN A 55 -8.384 -8.084 3.232 1.00 9.52 H new ATOM 0 HE21 GLN A 55 -9.948 -10.530 3.775 1.00 10.88 H new ATOM 0 HE22 GLN A 55 -9.601 -11.634 2.440 1.00 10.88 H new ATOM 905 N GLY A 62 -0.988 -2.038 6.130 1.00 2.03 N ATOM 906 CA GLY A 62 -0.384 -2.385 4.859 1.00 1.67 C ATOM 907 C GLY A 62 -0.914 -1.526 3.729 1.00 1.78 C ATOM 908 O GLY A 62 -0.745 -0.306 3.739 1.00 2.57 O ATOM 0 HA2 GLY A 62 0.698 -2.269 4.927 1.00 1.67 H new ATOM 0 HA3 GLY A 62 -0.578 -3.435 4.639 1.00 1.67 H new ATOM 912 N MET A 63 -1.560 -2.158 2.755 1.00 1.47 N ATOM 913 CA MET A 63 -2.121 -1.434 1.620 1.00 1.74 C ATOM 914 C MET A 63 -3.512 -1.962 1.263 1.00 1.64 C ATOM 915 O MET A 63 -3.917 -3.029 1.724 1.00 1.80 O ATOM 916 CB MET A 63 -1.179 -1.515 0.421 1.00 2.36 C ATOM 917 CG MET A 63 -0.747 -0.150 -0.091 1.00 3.35 C ATOM 918 SD MET A 63 0.019 0.862 1.191 1.00 4.59 S ATOM 919 CE MET A 63 -0.181 2.504 0.504 1.00 5.21 C ATOM 0 H MET A 63 -1.708 -3.167 2.728 1.00 1.47 H new ATOM 0 HA MET A 63 -2.229 -0.387 1.901 1.00 1.74 H new ATOM 0 HB2 MET A 63 -0.295 -2.089 0.699 1.00 2.36 H new ATOM 0 HB3 MET A 63 -1.672 -2.059 -0.385 1.00 2.36 H new ATOM 0 HG2 MET A 63 -0.044 -0.281 -0.914 1.00 3.35 H new ATOM 0 HG3 MET A 63 -1.614 0.374 -0.493 1.00 3.35 H new ATOM 0 HE1 MET A 63 0.115 3.247 1.245 1.00 5.21 H new ATOM 0 HE2 MET A 63 0.445 2.606 -0.383 1.00 5.21 H new ATOM 0 HE3 MET A 63 -1.225 2.660 0.231 1.00 5.21 H new ATOM 929 N SER A 64 -4.240 -1.205 0.443 1.00 2.06 N ATOM 930 CA SER A 64 -5.590 -1.573 0.050 1.00 2.41 C ATOM 931 C SER A 64 -5.613 -2.567 -1.105 1.00 2.12 C ATOM 932 O SER A 64 -4.620 -2.776 -1.806 1.00 1.74 O ATOM 933 CB SER A 64 -6.384 -0.323 -0.331 1.00 3.08 C ATOM 934 OG SER A 64 -5.815 0.317 -1.460 1.00 3.03 O ATOM 0 H SER A 64 -3.910 -0.329 0.038 1.00 2.06 H new ATOM 0 HA SER A 64 -6.050 -2.061 0.909 1.00 2.41 H new ATOM 0 HB2 SER A 64 -7.417 -0.596 -0.546 1.00 3.08 H new ATOM 0 HB3 SER A 64 -6.406 0.369 0.511 1.00 3.08 H new ATOM 0 HG SER A 64 -5.211 1.029 -1.163 1.00 3.03 H new ATOM 940 N GLU A 65 -6.775 -3.167 -1.290 1.00 2.58 N ATOM 941 CA GLU A 65 -6.991 -4.138 -2.353 1.00 2.63 C ATOM 942 C GLU A 65 -6.870 -3.475 -3.720 1.00 2.32 C ATOM 943 O GLU A 65 -6.450 -4.103 -4.692 1.00 2.22 O ATOM 944 CB GLU A 65 -8.367 -4.789 -2.207 1.00 3.25 C ATOM 945 CG GLU A 65 -9.519 -3.798 -2.272 1.00 3.84 C ATOM 946 CD GLU A 65 -10.871 -4.466 -2.125 1.00 4.32 C ATOM 947 OE1 GLU A 65 -11.349 -4.594 -0.978 1.00 4.57 O ATOM 948 OE2 GLU A 65 -11.455 -4.861 -3.156 1.00 4.81 O1- ATOM 0 H GLU A 65 -7.596 -2.997 -0.709 1.00 2.58 H new ATOM 0 HA GLU A 65 -6.225 -4.909 -2.272 1.00 2.63 H new ATOM 0 HB2 GLU A 65 -8.493 -5.532 -2.994 1.00 3.25 H new ATOM 0 HB3 GLU A 65 -8.409 -5.321 -1.256 1.00 3.25 H new ATOM 0 HG2 GLU A 65 -9.398 -3.054 -1.485 1.00 3.84 H new ATOM 0 HG3 GLU A 65 -9.482 -3.266 -3.222 1.00 3.84 H new ATOM 955 N ASP A 66 -7.242 -2.199 -3.787 1.00 2.33 N ATOM 956 CA ASP A 66 -7.182 -1.453 -5.037 1.00 2.18 C ATOM 957 C ASP A 66 -5.752 -1.367 -5.544 1.00 1.80 C ATOM 958 O ASP A 66 -5.492 -1.532 -6.737 1.00 1.73 O ATOM 959 CB ASP A 66 -7.758 -0.048 -4.850 1.00 2.47 C ATOM 960 CG ASP A 66 -9.228 -0.071 -4.477 1.00 2.95 C ATOM 961 OD1 ASP A 66 -9.533 -0.099 -3.266 1.00 3.41 O ATOM 962 OD2 ASP A 66 -10.074 -0.062 -5.396 1.00 3.23 O1- ATOM 0 H ASP A 66 -7.587 -1.663 -2.991 1.00 2.33 H new ATOM 0 HA ASP A 66 -7.781 -1.983 -5.777 1.00 2.18 H new ATOM 0 HB2 ASP A 66 -7.197 0.471 -4.073 1.00 2.47 H new ATOM 0 HB3 ASP A 66 -7.628 0.520 -5.771 1.00 2.47 H new ATOM 967 N GLU A 67 -4.831 -1.114 -4.633 1.00 1.65 N ATOM 968 CA GLU A 67 -3.423 -1.025 -4.989 1.00 1.46 C ATOM 969 C GLU A 67 -2.915 -2.403 -5.391 1.00 1.50 C ATOM 970 O GLU A 67 -2.119 -2.541 -6.325 1.00 1.58 O ATOM 971 CB GLU A 67 -2.599 -0.455 -3.830 1.00 1.46 C ATOM 972 CG GLU A 67 -2.219 -1.477 -2.775 1.00 1.92 C ATOM 973 CD GLU A 67 -0.915 -2.184 -3.089 1.00 2.66 C ATOM 974 OE1 GLU A 67 0.155 -1.634 -2.754 1.00 3.17 O ATOM 975 OE2 GLU A 67 -0.966 -3.289 -3.667 1.00 3.32 O1- ATOM 0 H GLU A 67 -5.029 -0.967 -3.643 1.00 1.65 H new ATOM 0 HA GLU A 67 -3.313 -0.345 -5.833 1.00 1.46 H new ATOM 0 HB2 GLU A 67 -1.689 -0.008 -4.231 1.00 1.46 H new ATOM 0 HB3 GLU A 67 -3.166 0.346 -3.356 1.00 1.46 H new ATOM 0 HG2 GLU A 67 -2.135 -0.981 -1.808 1.00 1.92 H new ATOM 0 HG3 GLU A 67 -3.016 -2.215 -2.686 1.00 1.92 H new ATOM 982 N ARG A 68 -3.391 -3.427 -4.683 1.00 1.69 N ATOM 983 CA ARG A 68 -3.001 -4.798 -4.983 1.00 1.98 C ATOM 984 C ARG A 68 -3.426 -5.145 -6.404 1.00 2.02 C ATOM 985 O ARG A 68 -2.740 -5.881 -7.113 1.00 2.19 O ATOM 986 CB ARG A 68 -3.641 -5.769 -3.988 1.00 2.33 C ATOM 987 CG ARG A 68 -3.280 -7.223 -4.238 1.00 2.67 C ATOM 988 CD ARG A 68 -3.937 -8.144 -3.223 1.00 3.03 C ATOM 989 NE ARG A 68 -3.599 -9.546 -3.454 1.00 3.92 N ATOM 990 CZ ARG A 68 -4.048 -10.550 -2.706 1.00 4.62 C ATOM 991 NH1 ARG A 68 -4.853 -10.313 -1.678 1.00 4.63 N1+ ATOM 992 NH2 ARG A 68 -3.692 -11.797 -2.986 1.00 5.64 N ATOM 0 H ARG A 68 -4.042 -3.331 -3.904 1.00 1.69 H new ATOM 0 HA ARG A 68 -1.918 -4.887 -4.897 1.00 1.98 H new ATOM 0 HB2 ARG A 68 -3.334 -5.496 -2.978 1.00 2.33 H new ATOM 0 HB3 ARG A 68 -4.725 -5.660 -4.033 1.00 2.33 H new ATOM 0 HG2 ARG A 68 -3.590 -7.508 -5.243 1.00 2.67 H new ATOM 0 HG3 ARG A 68 -2.198 -7.343 -4.192 1.00 2.67 H new ATOM 0 HD2 ARG A 68 -3.625 -7.857 -2.219 1.00 3.03 H new ATOM 0 HD3 ARG A 68 -5.019 -8.020 -3.269 1.00 3.03 H new ATOM 0 HE ARG A 68 -2.982 -9.768 -4.235 1.00 3.92 H new ATOM 0 HH11 ARG A 68 -5.131 -9.357 -1.458 1.00 4.63 H new ATOM 0 HH12 ARG A 68 -5.194 -11.087 -1.108 1.00 4.63 H new ATOM 0 HH21 ARG A 68 -3.074 -11.986 -3.775 1.00 5.64 H new ATOM 0 HH22 ARG A 68 -4.036 -12.567 -2.412 1.00 5.64 H new ATOM 1006 N ARG A 69 -4.572 -4.603 -6.808 1.00 1.95 N ATOM 1007 CA ARG A 69 -5.097 -4.820 -8.148 1.00 2.02 C ATOM 1008 C ARG A 69 -4.192 -4.150 -9.176 1.00 1.88 C ATOM 1009 O ARG A 69 -3.969 -4.678 -10.265 1.00 2.03 O ATOM 1010 CB ARG A 69 -6.519 -4.268 -8.262 1.00 2.06 C ATOM 1011 CG ARG A 69 -7.138 -4.460 -9.637 1.00 2.39 C ATOM 1012 CD ARG A 69 -8.546 -3.890 -9.699 1.00 2.79 C ATOM 1013 NE ARG A 69 -9.438 -4.526 -8.731 1.00 3.21 N ATOM 1014 CZ ARG A 69 -10.718 -4.197 -8.575 1.00 3.74 C ATOM 1015 NH1 ARG A 69 -11.261 -3.241 -9.320 1.00 3.98 N1+ ATOM 1016 NH2 ARG A 69 -11.458 -4.826 -7.673 1.00 4.43 N ATOM 0 H ARG A 69 -5.156 -4.007 -6.221 1.00 1.95 H new ATOM 0 HA ARG A 69 -5.125 -5.892 -8.342 1.00 2.02 H new ATOM 0 HB2 ARG A 69 -7.149 -4.755 -7.518 1.00 2.06 H new ATOM 0 HB3 ARG A 69 -6.507 -3.205 -8.023 1.00 2.06 H new ATOM 0 HG2 ARG A 69 -6.515 -3.975 -10.389 1.00 2.39 H new ATOM 0 HG3 ARG A 69 -7.163 -5.522 -9.881 1.00 2.39 H new ATOM 0 HD2 ARG A 69 -8.511 -2.817 -9.510 1.00 2.79 H new ATOM 0 HD3 ARG A 69 -8.947 -4.023 -10.704 1.00 2.79 H new ATOM 0 HE ARG A 69 -9.057 -5.265 -8.141 1.00 3.21 H new ATOM 0 HH11 ARG A 69 -10.696 -2.755 -10.016 1.00 3.98 H new ATOM 0 HH12 ARG A 69 -12.243 -2.993 -9.196 1.00 3.98 H new ATOM 0 HH21 ARG A 69 -11.046 -5.562 -7.099 1.00 4.43 H new ATOM 0 HH22 ARG A 69 -12.439 -4.574 -7.553 1.00 4.43 H new ATOM 1030 N ALA A 70 -3.672 -2.980 -8.813 1.00 1.68 N ATOM 1031 CA ALA A 70 -2.783 -2.228 -9.691 1.00 1.64 C ATOM 1032 C ALA A 70 -1.541 -3.043 -10.025 1.00 1.79 C ATOM 1033 O ALA A 70 -1.098 -3.090 -11.173 1.00 1.95 O ATOM 1034 CB ALA A 70 -2.392 -0.919 -9.030 1.00 1.49 C ATOM 0 H ALA A 70 -3.852 -2.532 -7.914 1.00 1.68 H new ATOM 0 HA ALA A 70 -3.310 -2.014 -10.621 1.00 1.64 H new ATOM 0 HB1 ALA A 70 -1.728 -0.362 -9.691 1.00 1.49 H new ATOM 0 HB2 ALA A 70 -3.287 -0.329 -8.834 1.00 1.49 H new ATOM 0 HB3 ALA A 70 -1.880 -1.125 -8.090 1.00 1.49 H new ATOM 1040 N LEU A 71 -0.997 -3.702 -9.017 1.00 1.82 N ATOM 1041 CA LEU A 71 0.195 -4.525 -9.200 1.00 2.05 C ATOM 1042 C LEU A 71 -0.131 -5.770 -10.019 1.00 2.34 C ATOM 1043 O LEU A 71 0.593 -6.120 -10.952 1.00 2.55 O ATOM 1044 CB LEU A 71 0.789 -4.932 -7.850 1.00 2.08 C ATOM 1045 CG LEU A 71 1.956 -5.920 -7.932 1.00 2.34 C ATOM 1046 CD1 LEU A 71 3.038 -5.389 -8.860 1.00 3.12 C ATOM 1047 CD2 LEU A 71 2.528 -6.191 -6.550 1.00 2.12 C ATOM 0 H LEU A 71 -1.358 -3.686 -8.063 1.00 1.82 H new ATOM 0 HA LEU A 71 0.932 -3.930 -9.740 1.00 2.05 H new ATOM 0 HB2 LEU A 71 1.127 -4.034 -7.333 1.00 2.08 H new ATOM 0 HB3 LEU A 71 0.000 -5.373 -7.240 1.00 2.08 H new ATOM 0 HG LEU A 71 1.581 -6.860 -8.338 1.00 2.34 H new ATOM 0 HD11 LEU A 71 3.860 -6.103 -8.907 1.00 3.12 H new ATOM 0 HD12 LEU A 71 2.624 -5.247 -9.858 1.00 3.12 H new ATOM 0 HD13 LEU A 71 3.407 -4.436 -8.481 1.00 3.12 H new ATOM 0 HD21 LEU A 71 3.356 -6.895 -6.631 1.00 2.12 H new ATOM 0 HD22 LEU A 71 2.886 -5.258 -6.115 1.00 2.12 H new ATOM 0 HD23 LEU A 71 1.752 -6.614 -5.912 1.00 2.12 H new ATOM 1059 N LYS A 72 -1.225 -6.435 -9.665 1.00 2.40 N ATOM 1060 CA LYS A 72 -1.649 -7.641 -10.368 1.00 2.71 C ATOM 1061 C LYS A 72 -2.022 -7.324 -11.808 1.00 2.70 C ATOM 1062 O LYS A 72 -1.857 -8.152 -12.703 1.00 2.97 O ATOM 1063 CB LYS A 72 -2.834 -8.289 -9.648 1.00 2.82 C ATOM 1064 CG LYS A 72 -3.323 -9.566 -10.311 1.00 2.97 C ATOM 1065 CD LYS A 72 -4.482 -10.184 -9.545 1.00 3.44 C ATOM 1066 CE LYS A 72 -5.672 -9.241 -9.477 1.00 4.03 C ATOM 1067 NZ LYS A 72 -6.820 -9.846 -8.747 1.00 5.17 N1+ ATOM 0 H LYS A 72 -1.835 -6.160 -8.895 1.00 2.40 H new ATOM 0 HA LYS A 72 -0.814 -8.342 -10.374 1.00 2.71 H new ATOM 0 HB2 LYS A 72 -2.547 -8.510 -8.620 1.00 2.82 H new ATOM 0 HB3 LYS A 72 -3.656 -7.575 -9.603 1.00 2.82 H new ATOM 0 HG2 LYS A 72 -3.635 -9.350 -11.333 1.00 2.97 H new ATOM 0 HG3 LYS A 72 -2.503 -10.282 -10.373 1.00 2.97 H new ATOM 0 HD2 LYS A 72 -4.782 -11.115 -10.026 1.00 3.44 H new ATOM 0 HD3 LYS A 72 -4.158 -10.436 -8.535 1.00 3.44 H new ATOM 0 HE2 LYS A 72 -5.374 -8.316 -8.983 1.00 4.03 H new ATOM 0 HE3 LYS A 72 -5.983 -8.976 -10.487 1.00 4.03 H new ATOM 0 HZ1 LYS A 72 -7.611 -9.171 -8.723 1.00 5.17 H new ATOM 0 HZ2 LYS A 72 -7.121 -10.715 -9.233 1.00 5.17 H new ATOM 0 HZ3 LYS A 72 -6.531 -10.075 -7.775 1.00 5.17 H new ATOM 1081 N ARG A 73 -2.526 -6.118 -12.021 1.00 2.43 N ATOM 1082 CA ARG A 73 -2.928 -5.677 -13.350 1.00 2.46 C ATOM 1083 C ARG A 73 -1.707 -5.439 -14.233 1.00 2.55 C ATOM 1084 O ARG A 73 -1.747 -5.674 -15.440 1.00 2.75 O ATOM 1085 CB ARG A 73 -3.766 -4.401 -13.257 1.00 2.26 C ATOM 1086 CG ARG A 73 -4.259 -3.894 -14.603 1.00 2.46 C ATOM 1087 CD ARG A 73 -5.186 -2.699 -14.442 1.00 2.75 C ATOM 1088 NE ARG A 73 -5.637 -2.180 -15.732 1.00 2.78 N ATOM 1089 CZ ARG A 73 -6.721 -2.616 -16.371 1.00 3.40 C ATOM 1090 NH1 ARG A 73 -7.459 -3.593 -15.858 1.00 3.94 N1+ ATOM 1091 NH2 ARG A 73 -7.066 -2.076 -17.532 1.00 3.93 N ATOM 0 H ARG A 73 -2.667 -5.424 -11.287 1.00 2.43 H new ATOM 0 HA ARG A 73 -3.533 -6.464 -13.801 1.00 2.46 H new ATOM 0 HB2 ARG A 73 -4.625 -4.587 -12.612 1.00 2.26 H new ATOM 0 HB3 ARG A 73 -3.172 -3.621 -12.780 1.00 2.26 H new ATOM 0 HG2 ARG A 73 -3.407 -3.614 -15.222 1.00 2.46 H new ATOM 0 HG3 ARG A 73 -4.783 -4.695 -15.125 1.00 2.46 H new ATOM 0 HD2 ARG A 73 -6.051 -2.988 -13.845 1.00 2.75 H new ATOM 0 HD3 ARG A 73 -4.670 -1.911 -13.894 1.00 2.75 H new ATOM 0 HE ARG A 73 -5.088 -1.439 -16.169 1.00 2.78 H new ATOM 0 HH11 ARG A 73 -7.197 -4.016 -14.967 1.00 3.94 H new ATOM 0 HH12 ARG A 73 -8.288 -3.921 -16.354 1.00 3.94 H new ATOM 0 HH21 ARG A 73 -6.501 -1.328 -17.934 1.00 3.93 H new ATOM 0 HH22 ARG A 73 -7.896 -2.409 -18.023 1.00 3.93 H new ATOM 1105 N ARG A 74 -0.624 -4.970 -13.622 1.00 2.47 N ATOM 1106 CA ARG A 74 0.609 -4.706 -14.355 1.00 2.62 C ATOM 1107 C ARG A 74 1.282 -6.011 -14.768 1.00 2.91 C ATOM 1108 O ARG A 74 1.761 -6.146 -15.895 1.00 3.11 O ATOM 1109 CB ARG A 74 1.567 -3.871 -13.503 1.00 2.56 C ATOM 1110 CG ARG A 74 2.906 -3.590 -14.172 1.00 2.63 C ATOM 1111 CD ARG A 74 2.754 -2.667 -15.371 1.00 3.24 C ATOM 1112 NE ARG A 74 2.087 -3.325 -16.492 1.00 3.74 N ATOM 1113 CZ ARG A 74 1.659 -2.685 -17.579 1.00 4.48 C ATOM 1114 NH1 ARG A 74 1.825 -1.374 -17.694 1.00 4.89 N1+ ATOM 1115 NH2 ARG A 74 1.064 -3.360 -18.553 1.00 5.14 N ATOM 0 H ARG A 74 -0.575 -4.765 -12.624 1.00 2.47 H new ATOM 0 HA ARG A 74 0.356 -4.146 -15.255 1.00 2.62 H new ATOM 0 HB2 ARG A 74 1.088 -2.923 -13.260 1.00 2.56 H new ATOM 0 HB3 ARG A 74 1.745 -4.389 -12.561 1.00 2.56 H new ATOM 0 HG2 ARG A 74 3.586 -3.139 -13.449 1.00 2.63 H new ATOM 0 HG3 ARG A 74 3.357 -4.529 -14.491 1.00 2.63 H new ATOM 0 HD2 ARG A 74 2.185 -1.785 -15.079 1.00 3.24 H new ATOM 0 HD3 ARG A 74 3.738 -2.321 -15.688 1.00 3.24 H new ATOM 0 HE ARG A 74 1.941 -4.333 -16.439 1.00 3.74 H new ATOM 0 HH11 ARG A 74 2.283 -0.850 -16.948 1.00 4.89 H new ATOM 0 HH12 ARG A 74 1.495 -0.889 -18.529 1.00 4.89 H new ATOM 0 HH21 ARG A 74 0.934 -4.368 -18.469 1.00 5.14 H new ATOM 0 HH22 ARG A 74 0.736 -2.871 -19.386 1.00 5.14 H new ATOM 1129 N ASN A 75 1.315 -6.970 -13.848 1.00 2.97 N ATOM 1130 CA ASN A 75 1.929 -8.265 -14.116 1.00 3.31 C ATOM 1131 C ASN A 75 1.069 -9.089 -15.070 1.00 3.49 C ATOM 1132 O ASN A 75 1.586 -9.781 -15.947 1.00 3.76 O ATOM 1133 CB ASN A 75 2.140 -9.033 -12.810 1.00 3.37 C ATOM 1134 CG ASN A 75 3.128 -8.345 -11.888 1.00 3.32 C ATOM 1135 OD1 ASN A 75 4.046 -7.662 -12.343 1.00 3.40 O ATOM 1136 ND2 ASN A 75 2.947 -8.525 -10.586 1.00 3.55 N ATOM 0 H ASN A 75 0.924 -6.874 -12.911 1.00 2.97 H new ATOM 0 HA ASN A 75 2.896 -8.089 -14.587 1.00 3.31 H new ATOM 0 HB2 ASN A 75 1.184 -9.142 -12.297 1.00 3.37 H new ATOM 0 HB3 ASN A 75 2.497 -10.038 -13.036 1.00 3.37 H new ATOM 0 HD21 ASN A 75 3.582 -8.089 -9.918 1.00 3.55 H new ATOM 0 HD22 ASN A 75 2.172 -9.099 -10.253 1.00 3.55 H new ATOM 1143 N ALA A 76 -0.246 -9.008 -14.892 1.00 3.38 N ATOM 1144 CA ALA A 76 -1.177 -9.746 -15.737 1.00 3.59 C ATOM 1145 C ALA A 76 -0.946 -11.249 -15.626 1.00 4.38 C ATOM 1146 O ALA A 76 -1.489 -11.906 -14.737 1.00 4.92 O ATOM 1147 CB ALA A 76 -1.046 -9.296 -17.184 1.00 3.28 C ATOM 0 H ALA A 76 -0.690 -8.439 -14.171 1.00 3.38 H new ATOM 0 HA ALA A 76 -2.189 -9.534 -15.392 1.00 3.59 H new ATOM 0 HB1 ALA A 76 -1.747 -9.855 -17.804 1.00 3.28 H new ATOM 0 HB2 ALA A 76 -1.268 -8.231 -17.255 1.00 3.28 H new ATOM 0 HB3 ALA A 76 -0.029 -9.479 -17.531 1.00 3.28 H new