USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 871 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 7 ASN : amide:sc= -5.55! C(o=-5.5!,f=-13!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.096) USER MOD Single : A 14 TYR OH : rot -137:sc= -2.54! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -18:sc= -10.5! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 44 SER OG : rot -170:sc= -9.86! USER MOD Single : A 54 TYR OH : rot 168:sc= 0.639 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.13) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.27) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 110:sc= -0.262 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.23) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -149:sc= -0.267 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.346 -4.876 3.114 1.00 0.60 N ATOM 45 CA VAL A 4 7.710 -4.592 2.612 1.00 0.54 C ATOM 46 C VAL A 4 8.555 -5.879 2.585 1.00 0.55 C ATOM 47 O VAL A 4 8.994 -6.364 3.599 1.00 1.28 O ATOM 48 CB VAL A 4 8.347 -3.570 3.556 1.00 1.35 C ATOM 49 CG1 VAL A 4 7.905 -3.874 4.986 1.00 1.89 C ATOM 50 CG2 VAL A 4 9.867 -3.648 3.476 1.00 2.75 C ATOM 0 HA VAL A 4 7.662 -4.202 1.595 1.00 0.54 H new ATOM 0 HB VAL A 4 8.029 -2.569 3.265 1.00 1.35 H new ATOM 0 HG11 VAL A 4 8.354 -3.151 5.667 1.00 1.89 H new ATOM 0 HG12 VAL A 4 6.819 -3.810 5.053 1.00 1.89 H new ATOM 0 HG13 VAL A 4 8.226 -4.879 5.260 1.00 1.89 H new ATOM 0 HG21 VAL A 4 10.305 -2.915 4.153 1.00 2.75 H new ATOM 0 HG22 VAL A 4 10.196 -4.647 3.761 1.00 2.75 H new ATOM 0 HG23 VAL A 4 10.189 -3.438 2.456 1.00 2.75 H new ATOM 60 N LEU A 5 8.832 -6.407 1.422 1.00 0.63 N ATOM 61 CA LEU A 5 9.705 -7.623 1.334 1.00 0.48 C ATOM 62 C LEU A 5 9.143 -8.808 2.152 1.00 0.43 C ATOM 63 O LEU A 5 8.343 -8.634 3.050 1.00 0.45 O ATOM 64 CB LEU A 5 11.082 -7.227 1.857 1.00 0.58 C ATOM 65 CG LEU A 5 11.334 -5.747 1.516 1.00 0.75 C ATOM 66 CD1 LEU A 5 12.711 -5.313 2.014 1.00 0.94 C ATOM 67 CD2 LEU A 5 11.233 -5.524 0.002 1.00 0.85 C ATOM 0 H LEU A 5 8.494 -6.052 0.528 1.00 0.63 H new ATOM 0 HA LEU A 5 9.753 -7.961 0.299 1.00 0.48 H new ATOM 0 HB2 LEU A 5 11.135 -7.381 2.935 1.00 0.58 H new ATOM 0 HB3 LEU A 5 11.852 -7.854 1.407 1.00 0.58 H new ATOM 0 HG LEU A 5 10.573 -5.145 2.013 1.00 0.75 H new ATOM 0 HD11 LEU A 5 12.874 -4.264 1.765 1.00 0.94 H new ATOM 0 HD12 LEU A 5 12.764 -5.442 3.095 1.00 0.94 H new ATOM 0 HD13 LEU A 5 13.479 -5.922 1.538 1.00 0.94 H new ATOM 0 HD21 LEU A 5 11.413 -4.473 -0.224 1.00 0.85 H new ATOM 0 HD22 LEU A 5 11.977 -6.137 -0.507 1.00 0.85 H new ATOM 0 HD23 LEU A 5 10.237 -5.803 -0.341 1.00 0.85 H new ATOM 79 N GLU A 6 9.550 -10.023 1.819 1.00 0.45 N ATOM 80 CA GLU A 6 9.033 -11.237 2.544 1.00 0.49 C ATOM 81 C GLU A 6 10.149 -12.277 2.797 1.00 0.48 C ATOM 82 O GLU A 6 11.121 -12.357 2.073 1.00 0.49 O ATOM 83 CB GLU A 6 7.919 -11.882 1.717 1.00 0.61 C ATOM 84 CG GLU A 6 8.515 -12.491 0.446 1.00 1.71 C ATOM 85 CD GLU A 6 7.445 -13.312 -0.276 1.00 2.21 C ATOM 86 OE1 GLU A 6 6.324 -13.339 0.204 1.00 2.53 O ATOM 87 OE2 GLU A 6 7.765 -13.901 -1.295 1.00 2.62 O ATOM 0 H GLU A 6 10.219 -10.222 1.075 1.00 0.45 H new ATOM 0 HA GLU A 6 8.653 -10.912 3.513 1.00 0.49 H new ATOM 0 HB2 GLU A 6 7.417 -12.653 2.302 1.00 0.61 H new ATOM 0 HB3 GLU A 6 7.166 -11.138 1.458 1.00 0.61 H new ATOM 0 HG2 GLU A 6 8.887 -11.702 -0.208 1.00 1.71 H new ATOM 0 HG3 GLU A 6 9.366 -13.124 0.698 1.00 1.71 H new ATOM 94 N ASN A 7 9.994 -13.070 3.838 1.00 0.53 N ATOM 95 CA ASN A 7 11.007 -14.124 4.197 1.00 0.55 C ATOM 96 C ASN A 7 10.797 -15.393 3.367 1.00 0.52 C ATOM 97 O ASN A 7 10.261 -16.376 3.839 1.00 0.55 O ATOM 98 CB ASN A 7 10.845 -14.484 5.675 1.00 0.70 C ATOM 99 CG ASN A 7 9.436 -15.028 5.923 1.00 0.81 C ATOM 100 OD1 ASN A 7 8.464 -14.306 5.815 1.00 1.20 O ATOM 101 ND2 ASN A 7 9.283 -16.280 6.255 1.00 0.92 N ATOM 0 H ASN A 7 9.191 -13.030 4.466 1.00 0.53 H new ATOM 0 HA ASN A 7 12.002 -13.728 3.995 1.00 0.55 H new ATOM 0 HB2 ASN A 7 11.588 -15.228 5.961 1.00 0.70 H new ATOM 0 HB3 ASN A 7 11.020 -13.604 6.295 1.00 0.70 H new ATOM 0 HD21 ASN A 7 8.348 -16.652 6.424 1.00 0.92 H new ATOM 0 HD22 ASN A 7 10.098 -16.887 6.346 1.00 0.92 H new ATOM 108 N ARG A 8 11.207 -15.373 2.138 1.00 0.51 N ATOM 109 CA ARG A 8 11.030 -16.570 1.259 1.00 0.52 C ATOM 110 C ARG A 8 12.075 -17.671 1.525 1.00 0.47 C ATOM 111 O ARG A 8 11.772 -18.838 1.471 1.00 0.49 O ATOM 112 CB ARG A 8 11.174 -16.145 -0.200 1.00 0.59 C ATOM 113 CG ARG A 8 11.070 -17.385 -1.089 1.00 0.73 C ATOM 114 CD ARG A 8 10.180 -17.080 -2.294 1.00 1.08 C ATOM 115 NE ARG A 8 10.958 -17.283 -3.548 1.00 1.93 N ATOM 116 CZ ARG A 8 10.353 -17.261 -4.704 1.00 2.60 C ATOM 117 NH1 ARG A 8 9.601 -16.244 -5.027 1.00 3.25 N ATOM 118 NH2 ARG A 8 10.499 -18.255 -5.536 1.00 2.92 N ATOM 0 H ARG A 8 11.662 -14.576 1.693 1.00 0.51 H new ATOM 0 HA ARG A 8 10.041 -16.974 1.476 1.00 0.52 H new ATOM 0 HB2 ARG A 8 10.397 -15.427 -0.462 1.00 0.59 H new ATOM 0 HB3 ARG A 8 12.132 -15.649 -0.355 1.00 0.59 H new ATOM 0 HG2 ARG A 8 12.062 -17.688 -1.424 1.00 0.73 H new ATOM 0 HG3 ARG A 8 10.657 -18.218 -0.521 1.00 0.73 H new ATOM 0 HD2 ARG A 8 9.305 -17.729 -2.287 1.00 1.08 H new ATOM 0 HD3 ARG A 8 9.816 -16.054 -2.241 1.00 1.08 H new ATOM 0 HE ARG A 8 11.965 -17.439 -3.503 1.00 1.93 H new ATOM 0 HH11 ARG A 8 9.487 -15.467 -4.376 1.00 3.25 H new ATOM 0 HH12 ARG A 8 9.128 -16.226 -5.930 1.00 3.25 H new ATOM 0 HH21 ARG A 8 11.086 -19.050 -5.283 1.00 2.92 H new ATOM 0 HH22 ARG A 8 10.026 -18.238 -6.440 1.00 2.92 H new ATOM 132 N ARG A 9 13.313 -17.317 1.711 1.00 0.44 N ATOM 133 CA ARG A 9 14.388 -18.358 1.860 1.00 0.43 C ATOM 134 C ARG A 9 14.162 -19.370 2.995 1.00 0.33 C ATOM 135 O ARG A 9 14.461 -20.533 2.834 1.00 0.34 O ATOM 136 CB ARG A 9 15.729 -17.664 2.097 1.00 0.48 C ATOM 137 CG ARG A 9 16.860 -18.684 1.944 1.00 0.94 C ATOM 138 CD ARG A 9 18.197 -18.026 2.293 1.00 1.31 C ATOM 139 NE ARG A 9 19.294 -18.714 1.556 1.00 1.58 N ATOM 140 CZ ARG A 9 20.117 -19.501 2.194 1.00 1.38 C ATOM 141 NH1 ARG A 9 19.671 -20.587 2.764 1.00 2.31 N ATOM 142 NH2 ARG A 9 21.386 -19.203 2.260 1.00 1.82 N ATOM 0 H ARG A 9 13.637 -16.351 1.768 1.00 0.44 H new ATOM 0 HA ARG A 9 14.370 -18.929 0.931 1.00 0.43 H new ATOM 0 HB2 ARG A 9 15.860 -16.849 1.386 1.00 0.48 H new ATOM 0 HB3 ARG A 9 15.753 -17.224 3.094 1.00 0.48 H new ATOM 0 HG2 ARG A 9 16.683 -19.539 2.597 1.00 0.94 H new ATOM 0 HG3 ARG A 9 16.886 -19.063 0.922 1.00 0.94 H new ATOM 0 HD2 ARG A 9 18.174 -16.969 2.030 1.00 1.31 H new ATOM 0 HD3 ARG A 9 18.374 -18.083 3.367 1.00 1.31 H new ATOM 0 HE ARG A 9 19.402 -18.570 0.552 1.00 1.58 H new ATOM 0 HH11 ARG A 9 18.680 -20.821 2.711 1.00 2.31 H new ATOM 0 HH12 ARG A 9 20.314 -21.202 3.263 1.00 2.31 H new ATOM 0 HH21 ARG A 9 21.735 -18.355 1.813 1.00 1.82 H new ATOM 0 HH22 ARG A 9 22.029 -19.818 2.759 1.00 1.82 H new ATOM 156 N ALA A 10 13.721 -18.964 4.148 1.00 0.37 N ATOM 157 CA ALA A 10 13.573 -19.949 5.258 1.00 0.41 C ATOM 158 C ALA A 10 12.201 -20.609 5.251 1.00 0.49 C ATOM 159 O ALA A 10 12.084 -21.808 5.399 1.00 0.51 O ATOM 160 CB ALA A 10 13.796 -19.242 6.596 1.00 0.57 C ATOM 0 H ALA A 10 13.458 -18.004 4.373 1.00 0.37 H new ATOM 0 HA ALA A 10 14.318 -20.732 5.115 1.00 0.41 H new ATOM 0 HB1 ALA A 10 13.688 -19.960 7.409 1.00 0.57 H new ATOM 0 HB2 ALA A 10 14.799 -18.815 6.619 1.00 0.57 H new ATOM 0 HB3 ALA A 10 13.060 -18.447 6.714 1.00 0.57 H new ATOM 166 N ARG A 11 11.162 -19.862 5.074 1.00 0.59 N ATOM 167 CA ARG A 11 9.823 -20.495 5.058 1.00 0.71 C ATOM 168 C ARG A 11 9.713 -21.327 3.787 1.00 0.69 C ATOM 169 O ARG A 11 8.992 -22.303 3.722 1.00 0.77 O ATOM 170 CB ARG A 11 8.742 -19.412 5.063 1.00 0.82 C ATOM 171 CG ARG A 11 7.396 -20.035 5.438 1.00 0.99 C ATOM 172 CD ARG A 11 6.347 -18.931 5.581 1.00 1.48 C ATOM 173 NE ARG A 11 5.068 -19.378 4.958 1.00 2.09 N ATOM 174 CZ ARG A 11 4.323 -20.270 5.555 1.00 2.70 C ATOM 175 NH1 ARG A 11 4.631 -20.687 6.754 1.00 3.82 N ATOM 176 NH2 ARG A 11 3.269 -20.746 4.952 1.00 3.13 N ATOM 0 H ARG A 11 11.176 -18.851 4.941 1.00 0.59 H new ATOM 0 HA ARG A 11 9.689 -21.126 5.937 1.00 0.71 H new ATOM 0 HB2 ARG A 11 9.002 -18.627 5.773 1.00 0.82 H new ATOM 0 HB3 ARG A 11 8.677 -18.944 4.081 1.00 0.82 H new ATOM 0 HG2 ARG A 11 7.087 -20.748 4.674 1.00 0.99 H new ATOM 0 HG3 ARG A 11 7.487 -20.589 6.372 1.00 0.99 H new ATOM 0 HD2 ARG A 11 6.189 -18.698 6.634 1.00 1.48 H new ATOM 0 HD3 ARG A 11 6.698 -18.017 5.102 1.00 1.48 H new ATOM 0 HE ARG A 11 4.774 -18.986 4.063 1.00 2.09 H new ATOM 0 HH11 ARG A 11 5.455 -20.316 7.227 1.00 3.82 H new ATOM 0 HH12 ARG A 11 4.047 -21.383 7.217 1.00 3.82 H new ATOM 0 HH21 ARG A 11 3.027 -20.422 4.016 1.00 3.13 H new ATOM 0 HH22 ARG A 11 2.686 -21.442 5.417 1.00 3.13 H new ATOM 190 N HIS A 12 10.424 -20.930 2.772 1.00 0.63 N ATOM 191 CA HIS A 12 10.374 -21.673 1.483 1.00 0.70 C ATOM 192 C HIS A 12 11.498 -22.704 1.387 1.00 0.64 C ATOM 193 O HIS A 12 11.313 -23.790 0.873 1.00 0.74 O ATOM 194 CB HIS A 12 10.520 -20.686 0.322 1.00 0.76 C ATOM 195 CG HIS A 12 9.948 -21.290 -0.932 1.00 1.06 C ATOM 196 ND1 HIS A 12 9.139 -20.568 -1.796 1.00 1.77 N ATOM 197 CD2 HIS A 12 10.059 -22.543 -1.483 1.00 2.12 C ATOM 198 CE1 HIS A 12 8.798 -21.384 -2.810 1.00 2.23 C ATOM 199 NE2 HIS A 12 9.332 -22.600 -2.669 1.00 2.28 N ATOM 0 H HIS A 12 11.042 -20.118 2.779 1.00 0.63 H new ATOM 0 HA HIS A 12 9.417 -22.192 1.434 1.00 0.70 H new ATOM 0 HB2 HIS A 12 10.004 -19.755 0.557 1.00 0.76 H new ATOM 0 HB3 HIS A 12 11.571 -20.439 0.172 1.00 0.76 H new ATOM 0 HD2 HIS A 12 10.625 -23.360 -1.060 1.00 2.12 H new ATOM 0 HE1 HIS A 12 8.169 -21.091 -3.638 1.00 2.23 H new ATOM 0 HE2 HIS A 12 9.229 -23.398 -3.295 1.00 2.28 H new ATOM 207 N ASP A 13 12.684 -22.343 1.793 1.00 0.52 N ATOM 208 CA ASP A 13 13.827 -23.283 1.620 1.00 0.54 C ATOM 209 C ASP A 13 14.422 -23.834 2.924 1.00 0.45 C ATOM 210 O ASP A 13 14.897 -24.952 2.929 1.00 0.52 O ATOM 211 CB ASP A 13 14.933 -22.565 0.846 1.00 0.56 C ATOM 212 CG ASP A 13 15.490 -23.496 -0.232 1.00 0.79 C ATOM 213 OD1 ASP A 13 15.572 -24.685 0.024 1.00 0.97 O ATOM 214 OD2 ASP A 13 15.825 -23.003 -1.297 1.00 1.21 O ATOM 0 H ASP A 13 12.910 -21.450 2.231 1.00 0.52 H new ATOM 0 HA ASP A 13 13.427 -24.145 1.086 1.00 0.54 H new ATOM 0 HB2 ASP A 13 14.541 -21.656 0.389 1.00 0.56 H new ATOM 0 HB3 ASP A 13 15.729 -22.262 1.526 1.00 0.56 H new ATOM 219 N TYR A 14 14.483 -23.110 4.015 1.00 0.34 N ATOM 220 CA TYR A 14 15.158 -23.760 5.191 1.00 0.29 C ATOM 221 C TYR A 14 14.494 -23.468 6.560 1.00 0.28 C ATOM 222 O TYR A 14 13.835 -22.468 6.757 1.00 0.30 O ATOM 223 CB TYR A 14 16.634 -23.321 5.223 1.00 0.26 C ATOM 224 CG TYR A 14 17.351 -24.220 6.184 1.00 0.23 C ATOM 225 CD1 TYR A 14 17.396 -23.852 7.515 1.00 0.26 C ATOM 226 CD2 TYR A 14 17.898 -25.449 5.769 1.00 0.25 C ATOM 227 CE1 TYR A 14 17.968 -24.710 8.460 1.00 0.25 C ATOM 228 CE2 TYR A 14 18.485 -26.296 6.708 1.00 0.26 C ATOM 229 CZ TYR A 14 18.507 -25.936 8.055 1.00 0.24 C ATOM 230 OH TYR A 14 19.041 -26.805 8.983 1.00 0.27 O ATOM 0 H TYR A 14 14.124 -22.164 4.146 1.00 0.34 H new ATOM 0 HA TYR A 14 15.062 -24.836 5.046 1.00 0.29 H new ATOM 0 HB2 TYR A 14 17.076 -23.391 4.229 1.00 0.26 H new ATOM 0 HB3 TYR A 14 16.718 -22.280 5.536 1.00 0.26 H new ATOM 0 HD1 TYR A 14 16.989 -22.901 7.826 1.00 0.26 H new ATOM 0 HD2 TYR A 14 17.863 -25.734 4.728 1.00 0.25 H new ATOM 0 HE1 TYR A 14 17.994 -24.426 9.502 1.00 0.25 H new ATOM 0 HE2 TYR A 14 18.923 -27.231 6.392 1.00 0.26 H new ATOM 0 HH TYR A 14 19.878 -27.180 8.637 1.00 0.27 H new ATOM 240 N GLU A 15 14.718 -24.365 7.517 1.00 0.28 N ATOM 241 CA GLU A 15 14.169 -24.211 8.916 1.00 0.31 C ATOM 242 C GLU A 15 15.115 -23.288 9.672 1.00 0.29 C ATOM 243 O GLU A 15 16.288 -23.438 9.617 1.00 0.30 O ATOM 244 CB GLU A 15 14.173 -25.571 9.607 1.00 0.35 C ATOM 245 CG GLU A 15 14.007 -25.372 11.114 1.00 0.38 C ATOM 246 CD GLU A 15 13.429 -26.644 11.738 1.00 0.67 C ATOM 247 OE1 GLU A 15 14.152 -27.623 11.814 1.00 1.08 O ATOM 248 OE2 GLU A 15 12.274 -26.616 12.131 1.00 1.15 O ATOM 0 H GLU A 15 15.270 -25.212 7.378 1.00 0.28 H new ATOM 0 HA GLU A 15 13.155 -23.813 8.892 1.00 0.31 H new ATOM 0 HB2 GLU A 15 13.365 -26.191 9.219 1.00 0.35 H new ATOM 0 HB3 GLU A 15 15.106 -26.095 9.398 1.00 0.35 H new ATOM 0 HG2 GLU A 15 14.969 -25.137 11.568 1.00 0.38 H new ATOM 0 HG3 GLU A 15 13.347 -24.527 11.309 1.00 0.38 H new ATOM 255 N ILE A 16 14.669 -22.291 10.324 1.00 0.31 N ATOM 256 CA ILE A 16 15.690 -21.393 10.910 1.00 0.31 C ATOM 257 C ILE A 16 16.172 -21.721 12.335 1.00 0.35 C ATOM 258 O ILE A 16 15.435 -21.765 13.300 1.00 0.41 O ATOM 259 CB ILE A 16 15.176 -19.982 10.764 1.00 0.35 C ATOM 260 CG1 ILE A 16 15.395 -19.593 9.290 1.00 0.31 C ATOM 261 CG2 ILE A 16 15.926 -19.040 11.698 1.00 0.37 C ATOM 262 CD1 ILE A 16 16.871 -19.762 8.911 1.00 0.24 C ATOM 0 H ILE A 16 13.691 -22.050 10.482 1.00 0.31 H new ATOM 0 HA ILE A 16 16.614 -21.542 10.352 1.00 0.31 H new ATOM 0 HB ILE A 16 14.122 -19.912 11.032 1.00 0.35 H new ATOM 0 HG12 ILE A 16 14.773 -20.215 8.646 1.00 0.31 H new ATOM 0 HG13 ILE A 16 15.087 -18.560 9.129 1.00 0.31 H new ATOM 0 HG21 ILE A 16 15.542 -18.027 11.579 1.00 0.37 H new ATOM 0 HG22 ILE A 16 15.785 -19.362 12.730 1.00 0.37 H new ATOM 0 HG23 ILE A 16 16.988 -19.056 11.455 1.00 0.37 H new ATOM 0 HD11 ILE A 16 17.013 -19.484 7.867 1.00 0.24 H new ATOM 0 HD12 ILE A 16 17.485 -19.121 9.544 1.00 0.24 H new ATOM 0 HD13 ILE A 16 17.166 -20.802 9.053 1.00 0.24 H new ATOM 274 N LEU A 17 17.472 -21.925 12.402 1.00 0.35 N ATOM 275 CA LEU A 17 18.237 -22.238 13.644 1.00 0.44 C ATOM 276 C LEU A 17 18.287 -21.030 14.616 1.00 0.47 C ATOM 277 O LEU A 17 17.684 -21.045 15.671 1.00 0.63 O ATOM 278 CB LEU A 17 19.664 -22.511 13.164 1.00 0.58 C ATOM 279 CG LEU A 17 20.276 -23.746 13.799 1.00 0.69 C ATOM 280 CD1 LEU A 17 21.688 -23.903 13.218 1.00 1.12 C ATOM 281 CD2 LEU A 17 20.362 -23.554 15.314 1.00 1.27 C ATOM 0 H LEU A 17 18.068 -21.881 11.576 1.00 0.35 H new ATOM 0 HA LEU A 17 17.774 -23.068 14.177 1.00 0.44 H new ATOM 0 HB2 LEU A 17 19.661 -22.630 12.080 1.00 0.58 H new ATOM 0 HB3 LEU A 17 20.289 -21.646 13.388 1.00 0.58 H new ATOM 0 HG LEU A 17 19.671 -24.630 13.595 1.00 0.69 H new ATOM 0 HD11 LEU A 17 22.164 -24.783 13.651 1.00 1.12 H new ATOM 0 HD12 LEU A 17 21.625 -24.020 12.136 1.00 1.12 H new ATOM 0 HD13 LEU A 17 22.279 -23.018 13.454 1.00 1.12 H new ATOM 0 HD21 LEU A 17 20.802 -24.442 15.769 1.00 1.27 H new ATOM 0 HD22 LEU A 17 20.984 -22.687 15.536 1.00 1.27 H new ATOM 0 HD23 LEU A 17 19.362 -23.397 15.718 1.00 1.27 H new ATOM 293 N GLU A 18 19.045 -19.999 14.275 1.00 0.38 N ATOM 294 CA GLU A 18 19.186 -18.802 15.187 1.00 0.41 C ATOM 295 C GLU A 18 18.542 -17.559 14.533 1.00 0.48 C ATOM 296 O GLU A 18 18.669 -17.342 13.356 1.00 0.64 O ATOM 297 CB GLU A 18 20.688 -18.560 15.476 1.00 0.37 C ATOM 298 CG GLU A 18 20.856 -18.155 16.942 1.00 0.52 C ATOM 299 CD GLU A 18 20.511 -19.342 17.842 1.00 0.44 C ATOM 300 OE1 GLU A 18 20.221 -20.401 17.309 1.00 0.99 O ATOM 301 OE2 GLU A 18 20.542 -19.173 19.050 1.00 1.13 O ATOM 0 H GLU A 18 19.572 -19.936 13.404 1.00 0.38 H new ATOM 0 HA GLU A 18 18.671 -18.991 16.129 1.00 0.41 H new ATOM 0 HB2 GLU A 18 21.262 -19.463 15.267 1.00 0.37 H new ATOM 0 HB3 GLU A 18 21.076 -17.778 14.823 1.00 0.37 H new ATOM 0 HG2 GLU A 18 21.881 -17.831 17.126 1.00 0.52 H new ATOM 0 HG3 GLU A 18 20.208 -17.309 17.173 1.00 0.52 H new ATOM 308 N THR A 19 17.824 -16.753 15.285 1.00 0.48 N ATOM 309 CA THR A 19 17.152 -15.551 14.675 1.00 0.57 C ATOM 310 C THR A 19 17.365 -14.284 15.528 1.00 0.44 C ATOM 311 O THR A 19 17.684 -14.362 16.697 1.00 0.38 O ATOM 312 CB THR A 19 15.650 -15.824 14.574 1.00 0.79 C ATOM 313 OG1 THR A 19 15.067 -15.729 15.867 1.00 0.94 O ATOM 314 CG2 THR A 19 15.418 -17.226 14.010 1.00 0.95 C ATOM 0 H THR A 19 17.674 -16.872 16.287 1.00 0.48 H new ATOM 0 HA THR A 19 17.590 -15.380 13.692 1.00 0.57 H new ATOM 0 HB THR A 19 15.191 -15.090 13.911 1.00 0.79 H new ATOM 0 HG1 THR A 19 14.104 -15.902 15.805 1.00 0.94 H new ATOM 0 HG21 THR A 19 14.347 -17.417 13.939 1.00 0.95 H new ATOM 0 HG22 THR A 19 15.866 -17.298 13.019 1.00 0.95 H new ATOM 0 HG23 THR A 19 15.876 -17.964 14.669 1.00 0.95 H new ATOM 322 N TYR A 20 17.129 -13.117 14.963 1.00 0.45 N ATOM 323 CA TYR A 20 17.251 -11.849 15.758 1.00 0.38 C ATOM 324 C TYR A 20 16.156 -10.888 15.368 1.00 0.42 C ATOM 325 O TYR A 20 15.562 -10.968 14.310 1.00 0.52 O ATOM 326 CB TYR A 20 18.633 -11.169 15.646 1.00 0.45 C ATOM 327 CG TYR A 20 18.995 -10.744 14.233 1.00 0.43 C ATOM 328 CD1 TYR A 20 18.106 -10.020 13.412 1.00 0.49 C ATOM 329 CD2 TYR A 20 20.262 -11.086 13.753 1.00 0.40 C ATOM 330 CE1 TYR A 20 18.502 -9.654 12.109 1.00 0.49 C ATOM 331 CE2 TYR A 20 20.660 -10.721 12.465 1.00 0.43 C ATOM 332 CZ TYR A 20 19.777 -10.005 11.639 1.00 0.45 C ATOM 333 OH TYR A 20 20.160 -9.641 10.364 1.00 0.49 O ATOM 0 H TYR A 20 16.858 -12.990 13.988 1.00 0.45 H new ATOM 0 HA TYR A 20 17.144 -12.133 16.805 1.00 0.38 H new ATOM 0 HB2 TYR A 20 18.650 -10.293 16.294 1.00 0.45 H new ATOM 0 HB3 TYR A 20 19.396 -11.854 16.016 1.00 0.45 H new ATOM 0 HD1 TYR A 20 17.128 -9.747 13.779 1.00 0.49 H new ATOM 0 HD2 TYR A 20 20.941 -11.639 14.385 1.00 0.40 H new ATOM 0 HE1 TYR A 20 17.824 -9.104 11.473 1.00 0.49 H new ATOM 0 HE2 TYR A 20 21.643 -10.988 12.105 1.00 0.43 H new ATOM 0 HH TYR A 20 19.366 -9.416 9.836 1.00 0.49 H new ATOM 343 N GLU A 21 15.869 -10.004 16.257 1.00 0.38 N ATOM 344 CA GLU A 21 14.798 -9.018 16.043 1.00 0.45 C ATOM 345 C GLU A 21 15.411 -7.619 15.960 1.00 0.46 C ATOM 346 O GLU A 21 15.865 -7.066 16.941 1.00 0.61 O ATOM 347 CB GLU A 21 13.873 -9.132 17.239 1.00 0.48 C ATOM 348 CG GLU A 21 12.427 -9.283 16.765 1.00 0.74 C ATOM 349 CD GLU A 21 11.583 -9.896 17.885 1.00 1.20 C ATOM 350 OE1 GLU A 21 11.201 -9.162 18.781 1.00 1.83 O ATOM 351 OE2 GLU A 21 11.334 -11.089 17.827 1.00 1.86 O ATOM 0 H GLU A 21 16.348 -9.920 17.154 1.00 0.38 H new ATOM 0 HA GLU A 21 14.252 -9.196 15.117 1.00 0.45 H new ATOM 0 HB2 GLU A 21 14.157 -9.990 17.849 1.00 0.48 H new ATOM 0 HB3 GLU A 21 13.968 -8.248 17.869 1.00 0.48 H new ATOM 0 HG2 GLU A 21 12.023 -8.311 16.481 1.00 0.74 H new ATOM 0 HG3 GLU A 21 12.388 -9.916 15.878 1.00 0.74 H new ATOM 358 N ALA A 22 15.445 -7.056 14.786 1.00 0.38 N ATOM 359 CA ALA A 22 16.046 -5.706 14.613 1.00 0.39 C ATOM 360 C ALA A 22 14.950 -4.678 14.329 1.00 0.38 C ATOM 361 O ALA A 22 13.826 -5.018 14.026 1.00 0.41 O ATOM 362 CB ALA A 22 17.026 -5.739 13.439 1.00 0.48 C ATOM 0 H ALA A 22 15.079 -7.477 13.932 1.00 0.38 H new ATOM 0 HA ALA A 22 16.570 -5.426 15.527 1.00 0.39 H new ATOM 0 HB1 ALA A 22 17.470 -4.752 13.307 1.00 0.48 H new ATOM 0 HB2 ALA A 22 17.812 -6.466 13.642 1.00 0.48 H new ATOM 0 HB3 ALA A 22 16.495 -6.022 12.530 1.00 0.48 H new ATOM 368 N GLY A 23 15.276 -3.420 14.416 1.00 0.39 N ATOM 369 CA GLY A 23 14.271 -2.362 14.140 1.00 0.44 C ATOM 370 C GLY A 23 14.839 -1.457 13.056 1.00 0.40 C ATOM 371 O GLY A 23 15.737 -0.676 13.298 1.00 0.38 O ATOM 0 H GLY A 23 16.203 -3.078 14.669 1.00 0.39 H new ATOM 0 HA2 GLY A 23 13.329 -2.804 13.815 1.00 0.44 H new ATOM 0 HA3 GLY A 23 14.059 -1.790 15.044 1.00 0.44 H new ATOM 375 N ILE A 24 14.361 -1.580 11.852 1.00 0.41 N ATOM 376 CA ILE A 24 14.934 -0.743 10.756 1.00 0.39 C ATOM 377 C ILE A 24 14.041 0.474 10.549 1.00 0.37 C ATOM 378 O ILE A 24 12.900 0.366 10.166 1.00 0.46 O ATOM 379 CB ILE A 24 14.994 -1.562 9.465 1.00 0.44 C ATOM 380 CG1 ILE A 24 16.063 -2.645 9.574 1.00 0.43 C ATOM 381 CG2 ILE A 24 15.365 -0.643 8.309 1.00 0.46 C ATOM 382 CD1 ILE A 24 16.284 -2.979 11.039 1.00 0.42 C ATOM 0 H ILE A 24 13.610 -2.213 11.578 1.00 0.41 H new ATOM 0 HA ILE A 24 15.941 -0.422 11.022 1.00 0.39 H new ATOM 0 HB ILE A 24 14.021 -2.023 9.297 1.00 0.44 H new ATOM 0 HG12 ILE A 24 15.753 -3.536 9.028 1.00 0.43 H new ATOM 0 HG13 ILE A 24 16.994 -2.302 9.122 1.00 0.43 H new ATOM 0 HG21 ILE A 24 15.410 -1.220 7.385 1.00 0.46 H new ATOM 0 HG22 ILE A 24 14.614 0.140 8.211 1.00 0.46 H new ATOM 0 HG23 ILE A 24 16.338 -0.191 8.502 1.00 0.46 H new ATOM 0 HD11 ILE A 24 17.047 -3.753 11.125 1.00 0.42 H new ATOM 0 HD12 ILE A 24 16.612 -2.086 11.570 1.00 0.42 H new ATOM 0 HD13 ILE A 24 15.352 -3.339 11.475 1.00 0.42 H new ATOM 394 N ALA A 25 14.548 1.637 10.808 1.00 0.31 N ATOM 395 CA ALA A 25 13.690 2.854 10.625 1.00 0.31 C ATOM 396 C ALA A 25 13.752 3.342 9.187 1.00 0.30 C ATOM 397 O ALA A 25 14.623 2.991 8.417 1.00 0.36 O ATOM 398 CB ALA A 25 14.081 3.978 11.551 1.00 0.38 C ATOM 0 H ALA A 25 15.499 1.809 11.133 1.00 0.31 H new ATOM 0 HA ALA A 25 12.671 2.556 10.871 1.00 0.31 H new ATOM 0 HB1 ALA A 25 13.430 4.835 11.378 1.00 0.38 H new ATOM 0 HB2 ALA A 25 13.981 3.649 12.585 1.00 0.38 H new ATOM 0 HB3 ALA A 25 15.115 4.264 11.360 1.00 0.38 H new ATOM 404 N LEU A 26 12.770 4.102 8.825 1.00 0.30 N ATOM 405 CA LEU A 26 12.643 4.597 7.445 1.00 0.33 C ATOM 406 C LEU A 26 12.629 6.120 7.397 1.00 0.37 C ATOM 407 O LEU A 26 12.187 6.780 8.316 1.00 0.38 O ATOM 408 CB LEU A 26 11.329 4.058 6.870 1.00 0.36 C ATOM 409 CG LEU A 26 10.346 3.738 8.018 1.00 0.42 C ATOM 410 CD1 LEU A 26 9.020 3.331 7.407 1.00 1.32 C ATOM 411 CD2 LEU A 26 10.851 2.578 8.910 1.00 1.11 C ATOM 0 H LEU A 26 12.027 4.409 9.452 1.00 0.30 H new ATOM 0 HA LEU A 26 13.499 4.256 6.863 1.00 0.33 H new ATOM 0 HB2 LEU A 26 10.888 4.793 6.196 1.00 0.36 H new ATOM 0 HB3 LEU A 26 11.520 3.160 6.282 1.00 0.36 H new ATOM 0 HG LEU A 26 10.250 4.626 8.642 1.00 0.42 H new ATOM 0 HD11 LEU A 26 8.309 3.100 8.201 1.00 1.32 H new ATOM 0 HD12 LEU A 26 8.633 4.149 6.800 1.00 1.32 H new ATOM 0 HD13 LEU A 26 9.163 2.451 6.781 1.00 1.32 H new ATOM 0 HD21 LEU A 26 10.128 2.388 9.703 1.00 1.11 H new ATOM 0 HD22 LEU A 26 10.970 1.679 8.305 1.00 1.11 H new ATOM 0 HD23 LEU A 26 11.811 2.849 9.350 1.00 1.11 H new ATOM 423 N LYS A 27 13.031 6.674 6.297 1.00 0.43 N ATOM 424 CA LYS A 27 12.957 8.143 6.143 1.00 0.50 C ATOM 425 C LYS A 27 11.496 8.451 5.793 1.00 0.47 C ATOM 426 O LYS A 27 10.658 7.571 5.832 1.00 0.43 O ATOM 427 CB LYS A 27 13.882 8.606 5.014 1.00 0.60 C ATOM 428 CG LYS A 27 14.609 9.881 5.444 1.00 1.20 C ATOM 429 CD LYS A 27 15.602 10.299 4.358 1.00 1.50 C ATOM 430 CE LYS A 27 16.781 11.031 5.000 1.00 2.15 C ATOM 431 NZ LYS A 27 17.910 10.079 5.198 1.00 2.89 N ATOM 0 H LYS A 27 13.409 6.171 5.495 1.00 0.43 H new ATOM 0 HA LYS A 27 13.271 8.659 7.050 1.00 0.50 H new ATOM 0 HB2 LYS A 27 14.604 7.825 4.777 1.00 0.60 H new ATOM 0 HB3 LYS A 27 13.304 8.791 4.108 1.00 0.60 H new ATOM 0 HG2 LYS A 27 13.889 10.680 5.619 1.00 1.20 H new ATOM 0 HG3 LYS A 27 15.133 9.713 6.385 1.00 1.20 H new ATOM 0 HD2 LYS A 27 15.956 9.422 3.817 1.00 1.50 H new ATOM 0 HD3 LYS A 27 15.111 10.946 3.631 1.00 1.50 H new ATOM 0 HE2 LYS A 27 17.097 11.859 4.366 1.00 2.15 H new ATOM 0 HE3 LYS A 27 16.480 11.458 5.956 1.00 2.15 H new ATOM 0 HZ1 LYS A 27 18.712 10.577 5.635 1.00 2.89 H new ATOM 0 HZ2 LYS A 27 17.605 9.303 5.819 1.00 2.89 H new ATOM 0 HZ3 LYS A 27 18.203 9.691 4.278 1.00 2.89 H new ATOM 445 N GLY A 28 11.154 9.669 5.504 1.00 0.54 N ATOM 446 CA GLY A 28 9.718 9.970 5.223 1.00 0.60 C ATOM 447 C GLY A 28 9.216 9.295 3.946 1.00 0.57 C ATOM 448 O GLY A 28 8.143 8.726 3.921 1.00 0.61 O ATOM 0 H GLY A 28 11.791 10.463 5.449 1.00 0.54 H new ATOM 0 HA2 GLY A 28 9.110 9.642 6.066 1.00 0.60 H new ATOM 0 HA3 GLY A 28 9.587 11.049 5.135 1.00 0.60 H new ATOM 452 N THR A 29 9.966 9.341 2.894 1.00 0.55 N ATOM 453 CA THR A 29 9.514 8.693 1.640 1.00 0.57 C ATOM 454 C THR A 29 9.944 7.249 1.659 1.00 0.52 C ATOM 455 O THR A 29 9.544 6.459 0.828 1.00 0.56 O ATOM 456 CB THR A 29 10.107 9.362 0.412 1.00 0.64 C ATOM 457 OG1 THR A 29 11.525 9.328 0.489 1.00 0.63 O ATOM 458 CG2 THR A 29 9.626 10.811 0.321 1.00 0.72 C ATOM 0 H THR A 29 10.876 9.800 2.845 1.00 0.55 H new ATOM 0 HA THR A 29 8.429 8.782 1.584 1.00 0.57 H new ATOM 0 HB THR A 29 9.781 8.826 -0.479 1.00 0.64 H new ATOM 0 HG1 THR A 29 11.906 9.758 -0.305 1.00 0.63 H new ATOM 0 HG21 THR A 29 10.056 11.282 -0.563 1.00 0.72 H new ATOM 0 HG22 THR A 29 8.539 10.830 0.249 1.00 0.72 H new ATOM 0 HG23 THR A 29 9.940 11.355 1.212 1.00 0.72 H new ATOM 466 N GLU A 30 10.757 6.881 2.600 1.00 0.47 N ATOM 467 CA GLU A 30 11.185 5.480 2.638 1.00 0.49 C ATOM 468 C GLU A 30 9.940 4.658 2.720 1.00 0.52 C ATOM 469 O GLU A 30 9.890 3.573 2.247 1.00 0.60 O ATOM 470 CB GLU A 30 12.089 5.233 3.831 1.00 0.51 C ATOM 471 CG GLU A 30 13.535 5.483 3.389 1.00 0.63 C ATOM 472 CD GLU A 30 14.423 4.322 3.839 1.00 1.21 C ATOM 473 OE1 GLU A 30 14.264 3.879 4.964 1.00 1.89 O ATOM 474 OE2 GLU A 30 15.249 3.895 3.050 1.00 2.15 O ATOM 0 H GLU A 30 11.135 7.485 3.330 1.00 0.47 H new ATOM 0 HA GLU A 30 11.761 5.216 1.751 1.00 0.49 H new ATOM 0 HB2 GLU A 30 11.822 5.895 4.655 1.00 0.51 H new ATOM 0 HB3 GLU A 30 11.972 4.211 4.193 1.00 0.51 H new ATOM 0 HG2 GLU A 30 13.580 5.589 2.305 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.899 6.418 3.816 1.00 0.63 H new ATOM 481 N VAL A 31 8.920 5.149 3.317 1.00 0.51 N ATOM 482 CA VAL A 31 7.712 4.302 3.385 1.00 0.60 C ATOM 483 C VAL A 31 7.086 4.073 2.008 1.00 0.63 C ATOM 484 O VAL A 31 6.542 3.019 1.767 1.00 0.67 O ATOM 485 CB VAL A 31 6.707 4.860 4.363 1.00 0.67 C ATOM 486 CG1 VAL A 31 5.293 4.490 3.915 1.00 1.41 C ATOM 487 CG2 VAL A 31 7.020 4.207 5.698 1.00 0.97 C ATOM 0 H VAL A 31 8.858 6.070 3.752 1.00 0.51 H new ATOM 0 HA VAL A 31 8.028 3.326 3.752 1.00 0.60 H new ATOM 0 HB VAL A 31 6.762 5.947 4.428 1.00 0.67 H new ATOM 0 HG11 VAL A 31 4.570 4.894 4.623 1.00 1.41 H new ATOM 0 HG12 VAL A 31 5.104 4.907 2.926 1.00 1.41 H new ATOM 0 HG13 VAL A 31 5.196 3.405 3.876 1.00 1.41 H new ATOM 0 HG21 VAL A 31 6.324 4.571 6.453 1.00 0.97 H new ATOM 0 HG22 VAL A 31 6.922 3.125 5.606 1.00 0.97 H new ATOM 0 HG23 VAL A 31 8.039 4.455 5.994 1.00 0.97 H new ATOM 497 N LYS A 32 7.128 4.988 1.077 1.00 0.65 N ATOM 498 CA LYS A 32 6.504 4.617 -0.223 1.00 0.70 C ATOM 499 C LYS A 32 7.376 3.563 -0.895 1.00 0.64 C ATOM 500 O LYS A 32 6.908 2.559 -1.342 1.00 0.67 O ATOM 501 CB LYS A 32 6.377 5.804 -1.164 1.00 0.79 C ATOM 502 CG LYS A 32 5.350 6.796 -0.611 1.00 0.94 C ATOM 503 CD LYS A 32 5.963 8.196 -0.555 1.00 0.81 C ATOM 504 CE LYS A 32 5.947 8.704 0.888 1.00 0.75 C ATOM 505 NZ LYS A 32 4.678 9.444 1.142 1.00 1.12 N ATOM 0 H LYS A 32 7.539 5.919 1.149 1.00 0.65 H new ATOM 0 HA LYS A 32 5.501 4.243 -0.017 1.00 0.70 H new ATOM 0 HB2 LYS A 32 7.344 6.294 -1.279 1.00 0.79 H new ATOM 0 HB3 LYS A 32 6.072 5.464 -2.154 1.00 0.79 H new ATOM 0 HG2 LYS A 32 4.461 6.803 -1.241 1.00 0.94 H new ATOM 0 HG3 LYS A 32 5.032 6.488 0.385 1.00 0.94 H new ATOM 0 HD2 LYS A 32 6.986 8.172 -0.932 1.00 0.81 H new ATOM 0 HD3 LYS A 32 5.403 8.876 -1.197 1.00 0.81 H new ATOM 0 HE2 LYS A 32 6.037 7.867 1.580 1.00 0.75 H new ATOM 0 HE3 LYS A 32 6.802 9.356 1.064 1.00 0.75 H new ATOM 0 HZ1 LYS A 32 4.668 9.789 2.123 1.00 1.12 H new ATOM 0 HZ2 LYS A 32 4.611 10.252 0.490 1.00 1.12 H new ATOM 0 HZ3 LYS A 32 3.869 8.808 0.990 1.00 1.12 H new ATOM 519 N SER A 33 8.649 3.801 -0.963 1.00 0.62 N ATOM 520 CA SER A 33 9.584 2.833 -1.604 1.00 0.61 C ATOM 521 C SER A 33 9.754 1.594 -0.726 1.00 0.51 C ATOM 522 O SER A 33 9.912 0.499 -1.206 1.00 0.53 O ATOM 523 CB SER A 33 10.945 3.500 -1.805 1.00 0.66 C ATOM 524 OG SER A 33 10.794 4.626 -2.659 1.00 1.70 O ATOM 0 H SER A 33 9.095 4.642 -0.595 1.00 0.62 H new ATOM 0 HA SER A 33 9.172 2.530 -2.566 1.00 0.61 H new ATOM 0 HB2 SER A 33 11.356 3.810 -0.844 1.00 0.66 H new ATOM 0 HB3 SER A 33 11.650 2.791 -2.240 1.00 0.66 H new ATOM 0 HG SER A 33 11.664 5.057 -2.789 1.00 1.70 H new ATOM 530 N LEU A 34 9.757 1.777 0.557 1.00 0.48 N ATOM 531 CA LEU A 34 9.950 0.627 1.489 1.00 0.49 C ATOM 532 C LEU A 34 8.670 -0.196 1.536 1.00 0.51 C ATOM 533 O LEU A 34 8.673 -1.390 1.308 1.00 0.56 O ATOM 534 CB LEU A 34 10.326 1.133 2.903 1.00 0.55 C ATOM 535 CG LEU A 34 11.414 0.222 3.477 1.00 0.78 C ATOM 536 CD1 LEU A 34 11.248 -1.204 2.952 1.00 1.16 C ATOM 537 CD2 LEU A 34 12.787 0.756 3.063 1.00 1.32 C ATOM 0 H LEU A 34 9.633 2.682 1.011 1.00 0.48 H new ATOM 0 HA LEU A 34 10.767 0.001 1.130 1.00 0.49 H new ATOM 0 HB2 LEU A 34 10.682 2.162 2.854 1.00 0.55 H new ATOM 0 HB3 LEU A 34 9.450 1.130 3.551 1.00 0.55 H new ATOM 0 HG LEU A 34 11.328 0.210 4.564 1.00 0.78 H new ATOM 0 HD11 LEU A 34 12.029 -1.839 3.370 1.00 1.16 H new ATOM 0 HD12 LEU A 34 10.272 -1.589 3.247 1.00 1.16 H new ATOM 0 HD13 LEU A 34 11.324 -1.203 1.865 1.00 1.16 H new ATOM 0 HD21 LEU A 34 13.566 0.111 3.469 1.00 1.32 H new ATOM 0 HD22 LEU A 34 12.859 0.771 1.975 1.00 1.32 H new ATOM 0 HD23 LEU A 34 12.916 1.767 3.449 1.00 1.32 H new ATOM 549 N ARG A 35 7.573 0.444 1.791 1.00 0.53 N ATOM 550 CA ARG A 35 6.279 -0.280 1.811 1.00 0.63 C ATOM 551 C ARG A 35 5.948 -0.655 0.370 1.00 0.63 C ATOM 552 O ARG A 35 5.233 -1.601 0.107 1.00 0.73 O ATOM 553 CB ARG A 35 5.184 0.629 2.378 1.00 0.76 C ATOM 554 CG ARG A 35 3.987 -0.221 2.812 1.00 1.29 C ATOM 555 CD ARG A 35 2.811 0.693 3.163 1.00 1.66 C ATOM 556 NE ARG A 35 1.558 -0.112 3.228 1.00 1.94 N ATOM 557 CZ ARG A 35 0.398 0.479 3.135 1.00 2.04 C ATOM 558 NH1 ARG A 35 -0.109 0.741 1.961 1.00 2.35 N ATOM 559 NH2 ARG A 35 -0.254 0.810 4.217 1.00 2.53 N ATOM 0 H ARG A 35 7.514 1.443 1.988 1.00 0.53 H new ATOM 0 HA ARG A 35 6.342 -1.170 2.437 1.00 0.63 H new ATOM 0 HB2 ARG A 35 5.569 1.194 3.227 1.00 0.76 H new ATOM 0 HB3 ARG A 35 4.874 1.355 1.626 1.00 0.76 H new ATOM 0 HG2 ARG A 35 3.704 -0.904 2.011 1.00 1.29 H new ATOM 0 HG3 ARG A 35 4.255 -0.833 3.673 1.00 1.29 H new ATOM 0 HD2 ARG A 35 2.991 1.184 4.120 1.00 1.66 H new ATOM 0 HD3 ARG A 35 2.712 1.480 2.415 1.00 1.66 H new ATOM 0 HE ARG A 35 1.607 -1.124 3.345 1.00 1.94 H new ATOM 0 HH11 ARG A 35 0.401 0.484 1.116 1.00 2.35 H new ATOM 0 HH12 ARG A 35 -1.016 1.203 1.889 1.00 2.35 H new ATOM 0 HH21 ARG A 35 0.143 0.607 5.134 1.00 2.53 H new ATOM 0 HH22 ARG A 35 -1.161 1.272 4.145 1.00 2.53 H new ATOM 573 N ALA A 36 6.493 0.077 -0.570 1.00 0.59 N ATOM 574 CA ALA A 36 6.239 -0.247 -2.008 1.00 0.70 C ATOM 575 C ALA A 36 7.546 -0.763 -2.618 1.00 0.66 C ATOM 576 O ALA A 36 7.779 -0.647 -3.805 1.00 0.80 O ATOM 577 CB ALA A 36 5.756 1.005 -2.769 1.00 0.86 C ATOM 0 H ALA A 36 7.099 0.880 -0.405 1.00 0.59 H new ATOM 0 HA ALA A 36 5.460 -1.006 -2.085 1.00 0.70 H new ATOM 0 HB1 ALA A 36 5.577 0.749 -3.813 1.00 0.86 H new ATOM 0 HB2 ALA A 36 4.832 1.369 -2.321 1.00 0.86 H new ATOM 0 HB3 ALA A 36 6.518 1.782 -2.712 1.00 0.86 H new ATOM 583 N GLY A 37 8.426 -1.286 -1.797 1.00 0.52 N ATOM 584 CA GLY A 37 9.747 -1.756 -2.311 1.00 0.55 C ATOM 585 C GLY A 37 9.810 -3.269 -2.473 1.00 0.43 C ATOM 586 O GLY A 37 9.199 -4.025 -1.744 1.00 0.47 O ATOM 0 H GLY A 37 8.284 -1.407 -0.794 1.00 0.52 H new ATOM 0 HA2 GLY A 37 9.947 -1.283 -3.272 1.00 0.55 H new ATOM 0 HA3 GLY A 37 10.533 -1.435 -1.628 1.00 0.55 H new ATOM 590 N LYS A 38 10.598 -3.701 -3.417 1.00 0.45 N ATOM 591 CA LYS A 38 10.792 -5.153 -3.652 1.00 0.51 C ATOM 592 C LYS A 38 12.280 -5.466 -3.466 1.00 0.47 C ATOM 593 O LYS A 38 13.117 -4.985 -4.199 1.00 0.51 O ATOM 594 CB LYS A 38 10.369 -5.508 -5.078 1.00 0.71 C ATOM 595 CG LYS A 38 9.867 -6.950 -5.108 1.00 1.15 C ATOM 596 CD LYS A 38 8.492 -7.000 -5.776 1.00 1.67 C ATOM 597 CE LYS A 38 8.152 -8.449 -6.125 1.00 2.05 C ATOM 598 NZ LYS A 38 6.684 -8.579 -6.338 1.00 3.18 N ATOM 0 H LYS A 38 11.124 -3.095 -4.046 1.00 0.45 H new ATOM 0 HA LYS A 38 10.189 -5.733 -2.954 1.00 0.51 H new ATOM 0 HB2 LYS A 38 9.586 -4.830 -5.417 1.00 0.71 H new ATOM 0 HB3 LYS A 38 11.211 -5.389 -5.760 1.00 0.71 H new ATOM 0 HG2 LYS A 38 10.570 -7.579 -5.653 1.00 1.15 H new ATOM 0 HG3 LYS A 38 9.805 -7.345 -4.094 1.00 1.15 H new ATOM 0 HD2 LYS A 38 7.735 -6.588 -5.108 1.00 1.67 H new ATOM 0 HD3 LYS A 38 8.490 -6.387 -6.677 1.00 1.67 H new ATOM 0 HE2 LYS A 38 8.689 -8.753 -7.024 1.00 2.05 H new ATOM 0 HE3 LYS A 38 8.474 -9.112 -5.322 1.00 2.05 H new ATOM 0 HZ1 LYS A 38 6.454 -9.565 -6.575 1.00 3.18 H new ATOM 0 HZ2 LYS A 38 6.182 -8.306 -5.469 1.00 3.18 H new ATOM 0 HZ3 LYS A 38 6.390 -7.957 -7.118 1.00 3.18 H new ATOM 612 N VAL A 39 12.611 -6.263 -2.493 1.00 0.45 N ATOM 613 CA VAL A 39 14.045 -6.605 -2.245 1.00 0.41 C ATOM 614 C VAL A 39 14.230 -8.087 -2.484 1.00 0.39 C ATOM 615 O VAL A 39 13.296 -8.856 -2.372 1.00 0.42 O ATOM 616 CB VAL A 39 14.366 -6.338 -0.775 1.00 0.49 C ATOM 617 CG1 VAL A 39 13.629 -7.375 0.062 1.00 1.42 C ATOM 618 CG2 VAL A 39 15.862 -6.478 -0.492 1.00 1.35 C ATOM 0 H VAL A 39 11.948 -6.698 -1.851 1.00 0.45 H new ATOM 0 HA VAL A 39 14.687 -6.015 -2.899 1.00 0.41 H new ATOM 0 HB VAL A 39 14.060 -5.321 -0.531 1.00 0.49 H new ATOM 0 HG11 VAL A 39 13.841 -7.208 1.118 1.00 1.42 H new ATOM 0 HG12 VAL A 39 12.556 -7.287 -0.111 1.00 1.42 H new ATOM 0 HG13 VAL A 39 13.961 -8.374 -0.221 1.00 1.42 H new ATOM 0 HG21 VAL A 39 16.053 -6.281 0.563 1.00 1.35 H new ATOM 0 HG22 VAL A 39 16.185 -7.490 -0.737 1.00 1.35 H new ATOM 0 HG23 VAL A 39 16.416 -5.763 -1.100 1.00 1.35 H new ATOM 628 N ASP A 40 15.416 -8.521 -2.769 1.00 0.35 N ATOM 629 CA ASP A 40 15.581 -9.979 -2.947 1.00 0.33 C ATOM 630 C ASP A 40 15.816 -10.571 -1.561 1.00 0.32 C ATOM 631 O ASP A 40 16.881 -10.436 -0.997 1.00 0.33 O ATOM 632 CB ASP A 40 16.794 -10.256 -3.839 1.00 0.33 C ATOM 633 CG ASP A 40 16.460 -11.377 -4.825 1.00 1.22 C ATOM 634 OD1 ASP A 40 15.285 -11.650 -5.005 1.00 1.84 O ATOM 635 OD2 ASP A 40 17.386 -11.942 -5.382 1.00 1.82 O ATOM 0 H ASP A 40 16.254 -7.951 -2.884 1.00 0.35 H new ATOM 0 HA ASP A 40 14.702 -10.419 -3.417 1.00 0.33 H new ATOM 0 HB2 ASP A 40 17.074 -9.353 -4.381 1.00 0.33 H new ATOM 0 HB3 ASP A 40 17.651 -10.539 -3.228 1.00 0.33 H new ATOM 640 N PHE A 41 14.840 -11.241 -1.009 1.00 0.33 N ATOM 641 CA PHE A 41 15.039 -11.844 0.334 1.00 0.36 C ATOM 642 C PHE A 41 15.343 -13.316 0.122 1.00 0.37 C ATOM 643 O PHE A 41 14.493 -14.072 -0.293 1.00 0.39 O ATOM 644 CB PHE A 41 13.777 -11.658 1.197 1.00 0.43 C ATOM 645 CG PHE A 41 13.925 -10.414 2.062 1.00 0.48 C ATOM 646 CD1 PHE A 41 14.912 -9.465 1.758 1.00 0.88 C ATOM 647 CD2 PHE A 41 13.082 -10.205 3.172 1.00 0.50 C ATOM 648 CE1 PHE A 41 15.055 -8.321 2.553 1.00 0.95 C ATOM 649 CE2 PHE A 41 13.229 -9.060 3.959 1.00 0.50 C ATOM 650 CZ PHE A 41 14.212 -8.120 3.651 1.00 0.61 C ATOM 0 H PHE A 41 13.923 -11.394 -1.428 1.00 0.33 H new ATOM 0 HA PHE A 41 15.861 -11.360 0.862 1.00 0.36 H new ATOM 0 HB2 PHE A 41 12.898 -11.566 0.558 1.00 0.43 H new ATOM 0 HB3 PHE A 41 13.623 -12.534 1.827 1.00 0.43 H new ATOM 0 HD1 PHE A 41 15.563 -9.617 0.910 1.00 0.88 H new ATOM 0 HD2 PHE A 41 12.321 -10.932 3.415 1.00 0.50 H new ATOM 0 HE1 PHE A 41 15.817 -7.593 2.318 1.00 0.95 H new ATOM 0 HE2 PHE A 41 12.580 -8.903 4.808 1.00 0.50 H new ATOM 0 HZ PHE A 41 14.323 -7.236 4.261 1.00 0.61 H new ATOM 660 N THR A 42 16.568 -13.688 0.395 1.00 0.38 N ATOM 661 CA THR A 42 17.059 -15.082 0.220 1.00 0.42 C ATOM 662 C THR A 42 18.448 -15.005 -0.399 1.00 0.41 C ATOM 663 O THR A 42 18.785 -14.021 -1.027 1.00 0.40 O ATOM 664 CB THR A 42 16.137 -15.876 -0.686 1.00 0.43 C ATOM 665 OG1 THR A 42 16.662 -17.183 -0.878 1.00 0.49 O ATOM 666 CG2 THR A 42 16.032 -15.156 -2.018 1.00 0.37 C ATOM 0 H THR A 42 17.278 -13.047 0.749 1.00 0.38 H new ATOM 0 HA THR A 42 17.087 -15.587 1.185 1.00 0.42 H new ATOM 0 HB THR A 42 15.149 -15.961 -0.234 1.00 0.43 H new ATOM 0 HG1 THR A 42 16.063 -17.694 -1.462 1.00 0.49 H new ATOM 0 HG21 THR A 42 15.372 -15.714 -2.682 1.00 0.37 H new ATOM 0 HG22 THR A 42 15.627 -14.156 -1.860 1.00 0.37 H new ATOM 0 HG23 THR A 42 17.021 -15.080 -2.469 1.00 0.37 H new ATOM 674 N GLY A 43 19.279 -15.999 -0.200 1.00 0.48 N ATOM 675 CA GLY A 43 20.659 -15.901 -0.754 1.00 0.55 C ATOM 676 C GLY A 43 21.161 -14.512 -0.375 1.00 0.53 C ATOM 677 O GLY A 43 21.932 -13.884 -1.073 1.00 0.59 O ATOM 0 H GLY A 43 19.066 -16.855 0.311 1.00 0.48 H new ATOM 0 HA2 GLY A 43 21.303 -16.676 -0.339 1.00 0.55 H new ATOM 0 HA3 GLY A 43 20.656 -16.034 -1.836 1.00 0.55 H new ATOM 681 N SER A 44 20.661 -14.027 0.729 1.00 0.47 N ATOM 682 CA SER A 44 21.000 -12.668 1.213 1.00 0.46 C ATOM 683 C SER A 44 21.963 -12.764 2.395 1.00 0.44 C ATOM 684 O SER A 44 22.176 -13.831 2.936 1.00 0.48 O ATOM 685 CB SER A 44 19.695 -12.023 1.670 1.00 0.48 C ATOM 686 OG SER A 44 19.794 -11.687 3.049 1.00 1.40 O ATOM 0 H SER A 44 20.013 -14.536 1.330 1.00 0.47 H new ATOM 0 HA SER A 44 21.477 -12.082 0.428 1.00 0.46 H new ATOM 0 HB2 SER A 44 19.492 -11.129 1.080 1.00 0.48 H new ATOM 0 HB3 SER A 44 18.862 -12.707 1.510 1.00 0.48 H new ATOM 0 HG SER A 44 18.913 -11.420 3.385 1.00 1.40 H new ATOM 692 N PHE A 45 22.543 -11.668 2.818 1.00 0.42 N ATOM 693 CA PHE A 45 23.469 -11.748 3.972 1.00 0.40 C ATOM 694 C PHE A 45 23.363 -10.478 4.805 1.00 0.40 C ATOM 695 O PHE A 45 23.027 -9.418 4.326 1.00 0.45 O ATOM 696 CB PHE A 45 24.916 -11.897 3.492 1.00 0.49 C ATOM 697 CG PHE A 45 25.094 -13.209 2.767 1.00 0.53 C ATOM 698 CD1 PHE A 45 24.508 -13.394 1.516 1.00 0.89 C ATOM 699 CD2 PHE A 45 25.857 -14.233 3.339 1.00 0.78 C ATOM 700 CE1 PHE A 45 24.674 -14.592 0.830 1.00 0.98 C ATOM 701 CE2 PHE A 45 26.025 -15.443 2.655 1.00 0.87 C ATOM 702 CZ PHE A 45 25.433 -15.624 1.398 1.00 0.77 C ATOM 0 H PHE A 45 22.414 -10.739 2.417 1.00 0.42 H new ATOM 0 HA PHE A 45 23.194 -12.617 4.571 1.00 0.40 H new ATOM 0 HB2 PHE A 45 25.174 -11.070 2.830 1.00 0.49 H new ATOM 0 HB3 PHE A 45 25.596 -11.849 4.343 1.00 0.49 H new ATOM 0 HD1 PHE A 45 23.921 -12.601 1.076 1.00 0.89 H new ATOM 0 HD2 PHE A 45 26.315 -14.090 4.306 1.00 0.78 H new ATOM 0 HE1 PHE A 45 24.218 -14.727 -0.140 1.00 0.98 H new ATOM 0 HE2 PHE A 45 26.610 -16.236 3.096 1.00 0.87 H new ATOM 0 HZ PHE A 45 25.561 -16.556 0.868 1.00 0.77 H new ATOM 712 N ALA A 46 23.685 -10.590 6.046 1.00 0.38 N ATOM 713 CA ALA A 46 23.666 -9.421 6.951 1.00 0.39 C ATOM 714 C ALA A 46 25.004 -9.453 7.682 1.00 0.40 C ATOM 715 O ALA A 46 25.576 -10.508 7.869 1.00 0.43 O ATOM 716 CB ALA A 46 22.490 -9.498 7.930 1.00 0.41 C ATOM 0 H ALA A 46 23.969 -11.465 6.488 1.00 0.38 H new ATOM 0 HA ALA A 46 23.533 -8.488 6.403 1.00 0.39 H new ATOM 0 HB1 ALA A 46 22.502 -8.625 8.583 1.00 0.41 H new ATOM 0 HB2 ALA A 46 21.554 -9.521 7.373 1.00 0.41 H new ATOM 0 HB3 ALA A 46 22.577 -10.402 8.532 1.00 0.41 H new ATOM 722 N ARG A 47 25.551 -8.338 8.047 1.00 0.41 N ATOM 723 CA ARG A 47 26.885 -8.383 8.696 1.00 0.45 C ATOM 724 C ARG A 47 26.741 -8.042 10.171 1.00 0.43 C ATOM 725 O ARG A 47 25.938 -7.219 10.562 1.00 0.45 O ATOM 726 CB ARG A 47 27.806 -7.371 8.015 1.00 0.52 C ATOM 727 CG ARG A 47 28.757 -6.767 9.053 1.00 0.56 C ATOM 728 CD ARG A 47 29.914 -6.067 8.336 1.00 0.99 C ATOM 729 NE ARG A 47 30.956 -5.677 9.327 1.00 1.60 N ATOM 730 CZ ARG A 47 32.082 -5.156 8.918 1.00 1.79 C ATOM 731 NH1 ARG A 47 32.088 -4.330 7.908 1.00 1.90 N ATOM 732 NH2 ARG A 47 33.201 -5.463 9.517 1.00 2.36 N ATOM 0 H ARG A 47 25.144 -7.410 7.929 1.00 0.41 H new ATOM 0 HA ARG A 47 27.311 -9.382 8.601 1.00 0.45 H new ATOM 0 HB2 ARG A 47 28.376 -7.857 7.223 1.00 0.52 H new ATOM 0 HB3 ARG A 47 27.216 -6.584 7.546 1.00 0.52 H new ATOM 0 HG2 ARG A 47 28.222 -6.056 9.683 1.00 0.56 H new ATOM 0 HG3 ARG A 47 29.141 -7.548 9.709 1.00 0.56 H new ATOM 0 HD2 ARG A 47 30.343 -6.730 7.584 1.00 0.99 H new ATOM 0 HD3 ARG A 47 29.549 -5.184 7.811 1.00 0.99 H new ATOM 0 HE ARG A 47 30.790 -5.817 10.324 1.00 1.60 H new ATOM 0 HH11 ARG A 47 31.214 -4.092 7.439 1.00 1.90 H new ATOM 0 HH12 ARG A 47 32.966 -3.922 7.588 1.00 1.90 H new ATOM 0 HH21 ARG A 47 33.197 -6.110 10.305 1.00 2.36 H new ATOM 0 HH22 ARG A 47 34.079 -5.055 9.197 1.00 2.36 H new ATOM 746 N PHE A 48 27.491 -8.718 10.995 1.00 0.44 N ATOM 747 CA PHE A 48 27.383 -8.498 12.446 1.00 0.44 C ATOM 748 C PHE A 48 28.642 -7.843 12.998 1.00 0.46 C ATOM 749 O PHE A 48 29.675 -8.458 13.173 1.00 0.52 O ATOM 750 CB PHE A 48 27.168 -9.844 13.143 1.00 0.51 C ATOM 751 CG PHE A 48 28.452 -10.642 13.119 1.00 0.95 C ATOM 752 CD1 PHE A 48 28.873 -11.263 11.936 1.00 1.29 C ATOM 753 CD2 PHE A 48 29.223 -10.757 14.281 1.00 1.57 C ATOM 754 CE1 PHE A 48 30.063 -11.999 11.916 1.00 2.02 C ATOM 755 CE2 PHE A 48 30.413 -11.494 14.262 1.00 2.27 C ATOM 756 CZ PHE A 48 30.833 -12.115 13.079 1.00 2.44 C ATOM 0 H PHE A 48 28.178 -9.418 10.714 1.00 0.44 H new ATOM 0 HA PHE A 48 26.539 -7.833 12.633 1.00 0.44 H new ATOM 0 HB2 PHE A 48 26.847 -9.684 14.172 1.00 0.51 H new ATOM 0 HB3 PHE A 48 26.374 -10.400 12.644 1.00 0.51 H new ATOM 0 HD1 PHE A 48 28.279 -11.174 11.039 1.00 1.29 H new ATOM 0 HD2 PHE A 48 28.900 -10.277 15.193 1.00 1.57 H new ATOM 0 HE1 PHE A 48 30.387 -12.477 11.004 1.00 2.02 H new ATOM 0 HE2 PHE A 48 31.007 -11.584 15.159 1.00 2.27 H new ATOM 0 HZ PHE A 48 31.751 -12.683 13.064 1.00 2.44 H new ATOM 766 N GLU A 49 28.533 -6.605 13.319 1.00 0.45 N ATOM 767 CA GLU A 49 29.679 -5.886 13.923 1.00 0.51 C ATOM 768 C GLU A 49 29.455 -5.865 15.439 1.00 0.54 C ATOM 769 O GLU A 49 29.857 -4.946 16.125 1.00 0.59 O ATOM 770 CB GLU A 49 29.733 -4.454 13.386 1.00 0.53 C ATOM 771 CG GLU A 49 31.130 -3.873 13.616 1.00 0.93 C ATOM 772 CD GLU A 49 31.670 -3.305 12.302 1.00 1.29 C ATOM 773 OE1 GLU A 49 31.188 -3.715 11.260 1.00 1.79 O ATOM 774 OE2 GLU A 49 32.557 -2.470 12.362 1.00 2.05 O ATOM 0 H GLU A 49 27.691 -6.045 13.190 1.00 0.45 H new ATOM 0 HA GLU A 49 30.619 -6.380 13.678 1.00 0.51 H new ATOM 0 HB2 GLU A 49 29.494 -4.444 12.322 1.00 0.53 H new ATOM 0 HB3 GLU A 49 28.985 -3.839 13.886 1.00 0.53 H new ATOM 0 HG2 GLU A 49 31.090 -3.090 14.373 1.00 0.93 H new ATOM 0 HG3 GLU A 49 31.800 -4.646 13.992 1.00 0.93 H new ATOM 781 N ASP A 50 28.792 -6.875 15.959 1.00 0.55 N ATOM 782 CA ASP A 50 28.509 -6.920 17.425 1.00 0.61 C ATOM 783 C ASP A 50 28.072 -5.526 17.870 1.00 0.66 C ATOM 784 O ASP A 50 28.705 -4.893 18.692 1.00 0.71 O ATOM 785 CB ASP A 50 29.773 -7.332 18.183 1.00 0.70 C ATOM 786 CG ASP A 50 30.357 -8.597 17.551 1.00 1.34 C ATOM 787 OD1 ASP A 50 29.581 -9.461 17.175 1.00 1.73 O ATOM 788 OD2 ASP A 50 31.570 -8.682 17.455 1.00 2.09 O ATOM 0 H ASP A 50 28.436 -7.669 15.427 1.00 0.55 H new ATOM 0 HA ASP A 50 27.723 -7.646 17.635 1.00 0.61 H new ATOM 0 HB2 ASP A 50 30.506 -6.526 18.154 1.00 0.70 H new ATOM 0 HB3 ASP A 50 29.538 -7.512 19.232 1.00 0.70 H new ATOM 793 N GLY A 51 26.997 -5.043 17.314 1.00 0.76 N ATOM 794 CA GLY A 51 26.498 -3.689 17.668 1.00 0.84 C ATOM 795 C GLY A 51 25.669 -3.153 16.501 1.00 0.70 C ATOM 796 O GLY A 51 24.731 -2.402 16.683 1.00 0.73 O ATOM 0 H GLY A 51 26.436 -5.537 16.620 1.00 0.76 H new ATOM 0 HA2 GLY A 51 25.892 -3.734 18.573 1.00 0.84 H new ATOM 0 HA3 GLY A 51 27.333 -3.021 17.877 1.00 0.84 H new ATOM 800 N GLU A 52 26.008 -3.539 15.298 1.00 0.63 N ATOM 801 CA GLU A 52 25.240 -3.058 14.114 1.00 0.54 C ATOM 802 C GLU A 52 24.936 -4.232 13.173 1.00 0.52 C ATOM 803 O GLU A 52 25.750 -5.112 12.976 1.00 0.72 O ATOM 804 CB GLU A 52 26.066 -2.009 13.366 1.00 0.55 C ATOM 805 CG GLU A 52 25.821 -0.628 13.979 1.00 0.79 C ATOM 806 CD GLU A 52 27.094 0.214 13.871 1.00 1.39 C ATOM 807 OE1 GLU A 52 28.066 -0.284 13.326 1.00 2.18 O ATOM 808 OE2 GLU A 52 27.076 1.342 14.335 1.00 2.03 O ATOM 0 H GLU A 52 26.784 -4.166 15.086 1.00 0.63 H new ATOM 0 HA GLU A 52 24.302 -2.618 14.451 1.00 0.54 H new ATOM 0 HB2 GLU A 52 27.125 -2.259 13.421 1.00 0.55 H new ATOM 0 HB3 GLU A 52 25.794 -2.003 12.310 1.00 0.55 H new ATOM 0 HG2 GLU A 52 24.999 -0.131 13.464 1.00 0.79 H new ATOM 0 HG3 GLU A 52 25.527 -0.729 15.024 1.00 0.79 H new ATOM 815 N LEU A 53 23.779 -4.225 12.565 1.00 0.40 N ATOM 816 CA LEU A 53 23.412 -5.298 11.607 1.00 0.42 C ATOM 817 C LEU A 53 23.262 -4.641 10.245 1.00 0.32 C ATOM 818 O LEU A 53 22.275 -4.005 9.949 1.00 0.38 O ATOM 819 CB LEU A 53 22.092 -5.949 12.018 1.00 0.58 C ATOM 820 CG LEU A 53 21.698 -7.002 10.984 1.00 0.69 C ATOM 821 CD1 LEU A 53 22.285 -8.354 11.394 1.00 0.67 C ATOM 822 CD2 LEU A 53 20.171 -7.103 10.920 1.00 0.84 C ATOM 0 H LEU A 53 23.065 -3.508 12.697 1.00 0.40 H new ATOM 0 HA LEU A 53 24.175 -6.076 11.588 1.00 0.42 H new ATOM 0 HB2 LEU A 53 22.192 -6.409 13.001 1.00 0.58 H new ATOM 0 HB3 LEU A 53 21.311 -5.193 12.098 1.00 0.58 H new ATOM 0 HG LEU A 53 22.083 -6.720 10.004 1.00 0.69 H new ATOM 0 HD11 LEU A 53 22.007 -9.109 10.659 1.00 0.67 H new ATOM 0 HD12 LEU A 53 23.371 -8.279 11.444 1.00 0.67 H new ATOM 0 HD13 LEU A 53 21.896 -8.638 12.372 1.00 0.67 H new ATOM 0 HD21 LEU A 53 19.887 -7.854 10.183 1.00 0.84 H new ATOM 0 HD22 LEU A 53 19.784 -7.390 11.898 1.00 0.84 H new ATOM 0 HD23 LEU A 53 19.754 -6.137 10.634 1.00 0.84 H new ATOM 834 N TYR A 54 24.256 -4.750 9.438 1.00 0.34 N ATOM 835 CA TYR A 54 24.212 -4.079 8.112 1.00 0.40 C ATOM 836 C TYR A 54 23.584 -4.954 7.047 1.00 0.37 C ATOM 837 O TYR A 54 23.849 -6.134 6.951 1.00 0.34 O ATOM 838 CB TYR A 54 25.640 -3.795 7.649 1.00 0.52 C ATOM 839 CG TYR A 54 26.266 -2.757 8.546 1.00 0.57 C ATOM 840 CD1 TYR A 54 25.994 -1.402 8.334 1.00 0.72 C ATOM 841 CD2 TYR A 54 27.114 -3.148 9.588 1.00 0.76 C ATOM 842 CE1 TYR A 54 26.569 -0.435 9.164 1.00 0.86 C ATOM 843 CE2 TYR A 54 27.690 -2.180 10.420 1.00 0.90 C ATOM 844 CZ TYR A 54 27.418 -0.823 10.207 1.00 0.89 C ATOM 845 OH TYR A 54 27.986 0.131 11.026 1.00 1.08 O ATOM 0 H TYR A 54 25.108 -5.276 9.631 1.00 0.34 H new ATOM 0 HA TYR A 54 23.621 -3.172 8.235 1.00 0.40 H new ATOM 0 HB2 TYR A 54 26.229 -4.712 7.671 1.00 0.52 H new ATOM 0 HB3 TYR A 54 25.635 -3.443 6.617 1.00 0.52 H new ATOM 0 HD1 TYR A 54 25.340 -1.102 7.529 1.00 0.72 H new ATOM 0 HD2 TYR A 54 27.324 -4.195 9.750 1.00 0.76 H new ATOM 0 HE1 TYR A 54 26.358 0.611 9.000 1.00 0.86 H new ATOM 0 HE2 TYR A 54 28.344 -2.480 11.226 1.00 0.90 H new ATOM 0 HH TYR A 54 28.385 -0.305 11.808 1.00 1.08 H new ATOM 855 N LEU A 55 22.835 -4.353 6.171 1.00 0.43 N ATOM 856 CA LEU A 55 22.302 -5.134 5.044 1.00 0.44 C ATOM 857 C LEU A 55 23.575 -5.525 4.313 1.00 0.44 C ATOM 858 O LEU A 55 24.491 -4.730 4.244 1.00 0.62 O ATOM 859 CB LEU A 55 21.450 -4.254 4.122 1.00 0.64 C ATOM 860 CG LEU A 55 19.969 -4.545 4.332 1.00 0.31 C ATOM 861 CD1 LEU A 55 19.197 -3.251 4.604 1.00 1.21 C ATOM 862 CD2 LEU A 55 19.417 -5.189 3.069 1.00 0.92 C ATOM 0 H LEU A 55 22.575 -3.367 6.191 1.00 0.43 H new ATOM 0 HA LEU A 55 21.670 -5.966 5.355 1.00 0.44 H new ATOM 0 HB2 LEU A 55 21.653 -3.202 4.323 1.00 0.64 H new ATOM 0 HB3 LEU A 55 21.720 -4.438 3.082 1.00 0.64 H new ATOM 0 HG LEU A 55 19.855 -5.209 5.189 1.00 0.31 H new ATOM 0 HD11 LEU A 55 18.142 -3.481 4.751 1.00 1.21 H new ATOM 0 HD12 LEU A 55 19.593 -2.773 5.500 1.00 1.21 H new ATOM 0 HD13 LEU A 55 19.306 -2.577 3.755 1.00 1.21 H new ATOM 0 HD21 LEU A 55 18.357 -5.404 3.204 1.00 0.92 H new ATOM 0 HD22 LEU A 55 19.545 -4.508 2.227 1.00 0.92 H new ATOM 0 HD23 LEU A 55 19.953 -6.117 2.870 1.00 0.92 H new ATOM 874 N GLU A 56 23.716 -6.702 3.809 1.00 0.40 N ATOM 875 CA GLU A 56 25.025 -6.996 3.168 1.00 0.46 C ATOM 876 C GLU A 56 24.808 -7.564 1.771 1.00 0.49 C ATOM 877 O GLU A 56 25.360 -7.077 0.805 1.00 0.77 O ATOM 878 CB GLU A 56 25.813 -7.950 4.073 1.00 0.50 C ATOM 879 CG GLU A 56 26.958 -8.582 3.281 1.00 0.57 C ATOM 880 CD GLU A 56 28.230 -8.581 4.131 1.00 1.04 C ATOM 881 OE1 GLU A 56 28.263 -7.855 5.111 1.00 1.55 O ATOM 882 OE2 GLU A 56 29.149 -9.306 3.788 1.00 1.61 O ATOM 0 H GLU A 56 23.022 -7.450 3.806 1.00 0.40 H new ATOM 0 HA GLU A 56 25.608 -6.083 3.048 1.00 0.46 H new ATOM 0 HB2 GLU A 56 26.208 -7.408 4.933 1.00 0.50 H new ATOM 0 HB3 GLU A 56 25.154 -8.727 4.461 1.00 0.50 H new ATOM 0 HG2 GLU A 56 26.698 -9.602 2.998 1.00 0.57 H new ATOM 0 HG3 GLU A 56 27.125 -8.027 2.358 1.00 0.57 H new ATOM 889 N ASN A 57 23.977 -8.547 1.638 1.00 0.41 N ATOM 890 CA ASN A 57 23.697 -9.084 0.288 1.00 0.43 C ATOM 891 C ASN A 57 22.206 -8.908 0.033 1.00 0.44 C ATOM 892 O ASN A 57 21.621 -9.567 -0.804 1.00 0.57 O ATOM 893 CB ASN A 57 24.086 -10.561 0.200 1.00 0.47 C ATOM 894 CG ASN A 57 24.926 -10.787 -1.057 1.00 0.64 C ATOM 895 OD1 ASN A 57 26.042 -10.315 -1.149 1.00 1.42 O ATOM 896 ND2 ASN A 57 24.434 -11.495 -2.036 1.00 1.04 N ATOM 0 H ASN A 57 23.480 -9.002 2.403 1.00 0.41 H new ATOM 0 HA ASN A 57 24.282 -8.552 -0.463 1.00 0.43 H new ATOM 0 HB2 ASN A 57 24.650 -10.854 1.086 1.00 0.47 H new ATOM 0 HB3 ASN A 57 23.192 -11.184 0.171 1.00 0.47 H new ATOM 0 HD21 ASN A 57 24.986 -11.653 -2.879 1.00 1.04 H new ATOM 0 HD22 ASN A 57 23.497 -11.891 -1.958 1.00 1.04 H new ATOM 903 N LEU A 58 21.584 -8.003 0.752 1.00 0.43 N ATOM 904 CA LEU A 58 20.137 -7.769 0.549 1.00 0.43 C ATOM 905 C LEU A 58 19.965 -6.468 -0.222 1.00 0.28 C ATOM 906 O LEU A 58 20.108 -5.387 0.315 1.00 0.35 O ATOM 907 CB LEU A 58 19.428 -7.677 1.897 1.00 0.57 C ATOM 908 CG LEU A 58 18.847 -9.038 2.242 1.00 0.93 C ATOM 909 CD1 LEU A 58 18.108 -8.949 3.570 1.00 1.67 C ATOM 910 CD2 LEU A 58 17.870 -9.469 1.150 1.00 1.68 C ATOM 0 H LEU A 58 22.023 -7.423 1.467 1.00 0.43 H new ATOM 0 HA LEU A 58 19.700 -8.595 -0.012 1.00 0.43 H new ATOM 0 HB2 LEU A 58 20.128 -7.359 2.670 1.00 0.57 H new ATOM 0 HB3 LEU A 58 18.636 -6.929 1.856 1.00 0.57 H new ATOM 0 HG LEU A 58 19.653 -9.768 2.318 1.00 0.93 H new ATOM 0 HD11 LEU A 58 17.690 -9.924 3.820 1.00 1.67 H new ATOM 0 HD12 LEU A 58 18.801 -8.640 4.352 1.00 1.67 H new ATOM 0 HD13 LEU A 58 17.303 -8.219 3.490 1.00 1.67 H new ATOM 0 HD21 LEU A 58 17.454 -10.445 1.399 1.00 1.68 H new ATOM 0 HD22 LEU A 58 17.064 -8.739 1.075 1.00 1.68 H new ATOM 0 HD23 LEU A 58 18.394 -9.530 0.196 1.00 1.68 H new ATOM 922 N TYR A 59 19.693 -6.569 -1.489 1.00 0.29 N ATOM 923 CA TYR A 59 19.545 -5.352 -2.328 1.00 0.31 C ATOM 924 C TYR A 59 18.098 -4.902 -2.330 1.00 0.32 C ATOM 925 O TYR A 59 17.193 -5.698 -2.434 1.00 0.43 O ATOM 926 CB TYR A 59 20.004 -5.694 -3.726 1.00 0.43 C ATOM 927 CG TYR A 59 21.465 -6.073 -3.650 1.00 0.42 C ATOM 928 CD1 TYR A 59 22.163 -5.972 -2.424 1.00 0.40 C ATOM 929 CD2 TYR A 59 22.129 -6.524 -4.796 1.00 0.51 C ATOM 930 CE1 TYR A 59 23.516 -6.324 -2.366 1.00 0.46 C ATOM 931 CE2 TYR A 59 23.482 -6.875 -4.730 1.00 0.56 C ATOM 932 CZ TYR A 59 24.175 -6.775 -3.517 1.00 0.54 C ATOM 933 OH TYR A 59 25.510 -7.119 -3.455 1.00 0.63 O ATOM 0 H TYR A 59 19.566 -7.451 -1.985 1.00 0.29 H new ATOM 0 HA TYR A 59 20.147 -4.534 -1.933 1.00 0.31 H new ATOM 0 HB2 TYR A 59 19.416 -6.518 -4.131 1.00 0.43 H new ATOM 0 HB3 TYR A 59 19.864 -4.844 -4.393 1.00 0.43 H new ATOM 0 HD1 TYR A 59 21.654 -5.625 -1.537 1.00 0.40 H new ATOM 0 HD2 TYR A 59 21.597 -6.601 -5.733 1.00 0.51 H new ATOM 0 HE1 TYR A 59 24.053 -6.248 -1.432 1.00 0.46 H new ATOM 0 HE2 TYR A 59 23.993 -7.223 -5.616 1.00 0.56 H new ATOM 0 HH TYR A 59 25.814 -7.412 -4.339 1.00 0.63 H new ATOM 943 N ILE A 60 17.874 -3.630 -2.201 1.00 0.33 N ATOM 944 CA ILE A 60 16.488 -3.129 -2.150 1.00 0.37 C ATOM 945 C ILE A 60 16.156 -2.460 -3.476 1.00 0.48 C ATOM 946 O ILE A 60 16.849 -1.587 -3.922 1.00 0.41 O ATOM 947 CB ILE A 60 16.352 -2.155 -0.949 1.00 0.47 C ATOM 948 CG1 ILE A 60 16.726 -2.924 0.343 1.00 0.70 C ATOM 949 CG2 ILE A 60 14.896 -1.692 -0.855 1.00 0.48 C ATOM 950 CD1 ILE A 60 18.209 -3.320 0.323 1.00 1.71 C ATOM 0 H ILE A 60 18.598 -2.915 -2.129 1.00 0.33 H new ATOM 0 HA ILE A 60 15.778 -3.943 -2.002 1.00 0.37 H new ATOM 0 HB ILE A 60 17.006 -1.292 -1.077 1.00 0.47 H new ATOM 0 HG12 ILE A 60 16.521 -2.303 1.215 1.00 0.70 H new ATOM 0 HG13 ILE A 60 16.107 -3.816 0.434 1.00 0.70 H new ATOM 0 HG21 ILE A 60 14.786 -1.007 -0.015 1.00 0.48 H new ATOM 0 HG22 ILE A 60 14.616 -1.183 -1.777 1.00 0.48 H new ATOM 0 HG23 ILE A 60 14.248 -2.556 -0.706 1.00 0.48 H new ATOM 0 HD11 ILE A 60 18.454 -3.859 1.238 1.00 1.71 H new ATOM 0 HD12 ILE A 60 18.403 -3.959 -0.538 1.00 1.71 H new ATOM 0 HD13 ILE A 60 18.824 -2.423 0.255 1.00 1.71 H new ATOM 962 N ALA A 61 15.117 -2.902 -4.126 1.00 0.75 N ATOM 963 CA ALA A 61 14.747 -2.311 -5.444 1.00 0.92 C ATOM 964 C ALA A 61 13.289 -1.843 -5.404 1.00 0.99 C ATOM 965 O ALA A 61 12.388 -2.651 -5.481 1.00 0.96 O ATOM 966 CB ALA A 61 14.906 -3.370 -6.537 1.00 0.95 C ATOM 0 H ALA A 61 14.505 -3.650 -3.801 1.00 0.75 H new ATOM 0 HA ALA A 61 15.397 -1.462 -5.656 1.00 0.92 H new ATOM 0 HB1 ALA A 61 14.636 -2.941 -7.502 1.00 0.95 H new ATOM 0 HB2 ALA A 61 15.942 -3.709 -6.568 1.00 0.95 H new ATOM 0 HB3 ALA A 61 14.254 -4.216 -6.321 1.00 0.95 H new ATOM 1243 N LYS A 78 21.904 -0.984 6.089 1.00 0.80 N ATOM 1244 CA LYS A 78 22.359 -0.785 7.499 1.00 0.59 C ATOM 1245 C LYS A 78 21.239 -1.119 8.489 1.00 0.50 C ATOM 1246 O LYS A 78 20.931 -0.325 9.355 1.00 0.62 O ATOM 1247 CB LYS A 78 22.796 0.666 7.718 1.00 0.74 C ATOM 1248 CG LYS A 78 23.570 0.771 9.034 1.00 1.73 C ATOM 1249 CD LYS A 78 24.361 2.081 9.055 1.00 1.96 C ATOM 1250 CE LYS A 78 23.417 3.252 8.777 1.00 1.82 C ATOM 1251 NZ LYS A 78 23.555 4.269 9.857 1.00 2.49 N ATOM 0 HA LYS A 78 23.201 -1.455 7.672 1.00 0.59 H new ATOM 0 HB2 LYS A 78 23.420 0.998 6.889 1.00 0.74 H new ATOM 0 HB3 LYS A 78 21.924 1.320 7.743 1.00 0.74 H new ATOM 0 HG2 LYS A 78 22.881 0.736 9.878 1.00 1.73 H new ATOM 0 HG3 LYS A 78 24.247 -0.077 9.139 1.00 1.73 H new ATOM 0 HD2 LYS A 78 24.844 2.211 10.024 1.00 1.96 H new ATOM 0 HD3 LYS A 78 25.152 2.052 8.306 1.00 1.96 H new ATOM 0 HE2 LYS A 78 23.650 3.699 7.810 1.00 1.82 H new ATOM 0 HE3 LYS A 78 22.387 2.898 8.725 1.00 1.82 H new ATOM 0 HZ1 LYS A 78 22.913 5.065 9.668 1.00 2.49 H new ATOM 0 HZ2 LYS A 78 23.313 3.839 10.772 1.00 2.49 H new ATOM 0 HZ3 LYS A 78 24.536 4.614 9.886 1.00 2.49 H new ATOM 1265 N LEU A 79 20.627 -2.280 8.409 1.00 0.39 N ATOM 1266 CA LEU A 79 19.551 -2.576 9.416 1.00 0.41 C ATOM 1267 C LEU A 79 20.091 -2.298 10.834 1.00 0.39 C ATOM 1268 O LEU A 79 21.281 -2.298 11.066 1.00 0.49 O ATOM 1269 CB LEU A 79 19.139 -4.048 9.302 1.00 0.45 C ATOM 1270 CG LEU A 79 19.017 -4.440 7.829 1.00 0.61 C ATOM 1271 CD1 LEU A 79 20.022 -5.548 7.512 1.00 1.15 C ATOM 1272 CD2 LEU A 79 17.601 -4.949 7.556 1.00 0.89 C ATOM 0 H LEU A 79 20.814 -3.009 7.721 1.00 0.39 H new ATOM 0 HA LEU A 79 18.685 -1.942 9.226 1.00 0.41 H new ATOM 0 HB2 LEU A 79 19.876 -4.681 9.796 1.00 0.45 H new ATOM 0 HB3 LEU A 79 18.189 -4.209 9.811 1.00 0.45 H new ATOM 0 HG LEU A 79 19.222 -3.572 7.203 1.00 0.61 H new ATOM 0 HD11 LEU A 79 19.936 -5.828 6.462 1.00 1.15 H new ATOM 0 HD12 LEU A 79 21.032 -5.190 7.710 1.00 1.15 H new ATOM 0 HD13 LEU A 79 19.815 -6.417 8.137 1.00 1.15 H new ATOM 0 HD21 LEU A 79 17.511 -5.229 6.506 1.00 0.89 H new ATOM 0 HD22 LEU A 79 17.400 -5.818 8.182 1.00 0.89 H new ATOM 0 HD23 LEU A 79 16.881 -4.163 7.785 1.00 0.89 H new ATOM 1284 N LEU A 80 19.223 -2.046 11.784 1.00 0.34 N ATOM 1285 CA LEU A 80 19.688 -1.765 13.178 1.00 0.38 C ATOM 1286 C LEU A 80 19.316 -2.941 14.089 1.00 0.40 C ATOM 1287 O LEU A 80 18.166 -3.292 14.212 1.00 0.47 O ATOM 1288 CB LEU A 80 19.004 -0.499 13.695 1.00 0.44 C ATOM 1289 CG LEU A 80 19.975 0.678 13.618 1.00 1.22 C ATOM 1290 CD1 LEU A 80 19.190 1.987 13.705 1.00 1.92 C ATOM 1291 CD2 LEU A 80 20.964 0.600 14.782 1.00 2.17 C ATOM 0 H LEU A 80 18.212 -2.023 11.654 1.00 0.34 H new ATOM 0 HA LEU A 80 20.769 -1.628 13.177 1.00 0.38 H new ATOM 0 HB2 LEU A 80 18.113 -0.288 13.103 1.00 0.44 H new ATOM 0 HB3 LEU A 80 18.676 -0.646 14.724 1.00 0.44 H new ATOM 0 HG LEU A 80 20.521 0.640 12.675 1.00 1.22 H new ATOM 0 HD11 LEU A 80 19.880 2.829 13.650 1.00 1.92 H new ATOM 0 HD12 LEU A 80 18.483 2.043 12.877 1.00 1.92 H new ATOM 0 HD13 LEU A 80 18.647 2.023 14.649 1.00 1.92 H new ATOM 0 HD21 LEU A 80 21.657 1.440 14.727 1.00 2.17 H new ATOM 0 HD22 LEU A 80 20.419 0.640 15.725 1.00 2.17 H new ATOM 0 HD23 LEU A 80 21.521 -0.335 14.724 1.00 2.17 H new ATOM 1303 N LEU A 81 20.274 -3.549 14.732 1.00 0.39 N ATOM 1304 CA LEU A 81 19.966 -4.684 15.630 1.00 0.44 C ATOM 1305 C LEU A 81 20.424 -4.377 17.029 1.00 0.46 C ATOM 1306 O LEU A 81 21.556 -3.993 17.244 1.00 0.42 O ATOM 1307 CB LEU A 81 20.744 -5.925 15.208 1.00 0.46 C ATOM 1308 CG LEU A 81 19.773 -7.011 14.747 1.00 0.58 C ATOM 1309 CD1 LEU A 81 20.542 -8.305 14.488 1.00 0.86 C ATOM 1310 CD2 LEU A 81 18.725 -7.253 15.837 1.00 0.56 C ATOM 0 H LEU A 81 21.262 -3.303 14.670 1.00 0.39 H new ATOM 0 HA LEU A 81 18.890 -4.849 15.581 1.00 0.44 H new ATOM 0 HB2 LEU A 81 21.435 -5.676 14.403 1.00 0.46 H new ATOM 0 HB3 LEU A 81 21.344 -6.290 16.041 1.00 0.46 H new ATOM 0 HG LEU A 81 19.279 -6.691 13.830 1.00 0.58 H new ATOM 0 HD11 LEU A 81 19.850 -9.080 14.159 1.00 0.86 H new ATOM 0 HD12 LEU A 81 21.290 -8.135 13.714 1.00 0.86 H new ATOM 0 HD13 LEU A 81 21.035 -8.625 15.406 1.00 0.86 H new ATOM 0 HD21 LEU A 81 18.032 -8.028 15.509 1.00 0.56 H new ATOM 0 HD22 LEU A 81 19.221 -7.574 16.753 1.00 0.56 H new ATOM 0 HD23 LEU A 81 18.176 -6.330 16.025 1.00 0.56 H new ATOM 1322 N HIS A 82 19.609 -4.647 17.989 1.00 0.56 N ATOM 1323 CA HIS A 82 20.097 -4.484 19.371 1.00 0.61 C ATOM 1324 C HIS A 82 21.363 -5.328 19.356 1.00 0.54 C ATOM 1325 O HIS A 82 21.370 -6.402 18.787 1.00 0.53 O ATOM 1326 CB HIS A 82 19.083 -5.039 20.375 1.00 0.78 C ATOM 1327 CG HIS A 82 18.253 -3.910 20.924 1.00 0.98 C ATOM 1328 ND1 HIS A 82 16.872 -3.985 21.015 1.00 1.57 N ATOM 1329 CD2 HIS A 82 18.594 -2.673 21.411 1.00 1.63 C ATOM 1330 CE1 HIS A 82 16.437 -2.825 21.540 1.00 1.69 C ATOM 1331 NE2 HIS A 82 17.446 -1.989 21.800 1.00 1.76 N ATOM 0 H HIS A 82 18.646 -4.967 17.885 1.00 0.56 H new ATOM 0 HA HIS A 82 20.260 -3.447 19.665 1.00 0.61 H new ATOM 0 HB2 HIS A 82 18.441 -5.775 19.891 1.00 0.78 H new ATOM 0 HB3 HIS A 82 19.601 -5.552 21.186 1.00 0.78 H new ATOM 0 HD2 HIS A 82 19.601 -2.289 21.482 1.00 1.63 H new ATOM 0 HE1 HIS A 82 15.398 -2.597 21.728 1.00 1.69 H new ATOM 0 HE2 HIS A 82 17.388 -1.052 22.198 1.00 1.76 H new ATOM 1339 N LYS A 83 22.449 -4.860 19.863 1.00 0.54 N ATOM 1340 CA LYS A 83 23.681 -5.675 19.719 1.00 0.53 C ATOM 1341 C LYS A 83 23.497 -7.055 20.347 1.00 0.61 C ATOM 1342 O LYS A 83 23.984 -8.040 19.828 1.00 0.63 O ATOM 1343 CB LYS A 83 24.856 -4.963 20.382 1.00 0.61 C ATOM 1344 CG LYS A 83 26.160 -5.618 19.932 1.00 0.60 C ATOM 1345 CD LYS A 83 26.676 -6.540 21.039 1.00 0.88 C ATOM 1346 CE LYS A 83 27.936 -5.934 21.661 1.00 1.02 C ATOM 1347 NZ LYS A 83 28.136 -6.495 23.027 1.00 1.48 N ATOM 0 H LYS A 83 22.547 -3.974 20.359 1.00 0.54 H new ATOM 0 HA LYS A 83 23.884 -5.802 18.656 1.00 0.53 H new ATOM 0 HB2 LYS A 83 24.855 -3.907 20.114 1.00 0.61 H new ATOM 0 HB3 LYS A 83 24.764 -5.017 21.467 1.00 0.61 H new ATOM 0 HG2 LYS A 83 25.997 -6.187 19.017 1.00 0.60 H new ATOM 0 HG3 LYS A 83 26.903 -4.854 19.704 1.00 0.60 H new ATOM 0 HD2 LYS A 83 25.909 -6.674 21.802 1.00 0.88 H new ATOM 0 HD3 LYS A 83 26.897 -7.527 20.632 1.00 0.88 H new ATOM 0 HE2 LYS A 83 28.803 -6.151 21.037 1.00 1.02 H new ATOM 0 HE3 LYS A 83 27.843 -4.849 21.712 1.00 1.02 H new ATOM 0 HZ1 LYS A 83 28.992 -6.083 23.450 1.00 1.48 H new ATOM 0 HZ2 LYS A 83 27.313 -6.266 23.620 1.00 1.48 H new ATOM 0 HZ3 LYS A 83 28.243 -7.528 22.966 1.00 1.48 H new ATOM 1361 N HIS A 84 22.797 -7.159 21.435 1.00 0.70 N ATOM 1362 CA HIS A 84 22.604 -8.506 22.031 1.00 0.82 C ATOM 1363 C HIS A 84 21.937 -9.392 20.978 1.00 0.77 C ATOM 1364 O HIS A 84 22.178 -10.580 20.897 1.00 0.84 O ATOM 1365 CB HIS A 84 21.706 -8.402 23.265 1.00 0.93 C ATOM 1366 CG HIS A 84 22.543 -8.555 24.505 1.00 1.33 C ATOM 1367 ND1 HIS A 84 21.983 -8.801 25.749 1.00 2.13 N ATOM 1368 CD2 HIS A 84 23.899 -8.502 24.709 1.00 2.41 C ATOM 1369 CE1 HIS A 84 22.990 -8.885 26.637 1.00 2.61 C ATOM 1370 NE2 HIS A 84 24.179 -8.710 26.056 1.00 2.80 N ATOM 0 H HIS A 84 22.356 -6.385 21.932 1.00 0.70 H new ATOM 0 HA HIS A 84 23.561 -8.930 22.334 1.00 0.82 H new ATOM 0 HB2 HIS A 84 21.193 -7.440 23.275 1.00 0.93 H new ATOM 0 HB3 HIS A 84 20.936 -9.173 23.235 1.00 0.93 H new ATOM 0 HD2 HIS A 84 24.637 -8.326 23.940 1.00 2.41 H new ATOM 0 HE1 HIS A 84 22.853 -9.071 27.692 1.00 2.61 H new ATOM 0 HE2 HIS A 84 25.096 -8.725 26.503 1.00 2.80 H new ATOM 1378 N GLU A 85 21.101 -8.804 20.167 1.00 0.67 N ATOM 1379 CA GLU A 85 20.400 -9.574 19.100 1.00 0.65 C ATOM 1380 C GLU A 85 21.364 -9.929 17.963 1.00 0.59 C ATOM 1381 O GLU A 85 21.247 -10.966 17.341 1.00 0.63 O ATOM 1382 CB GLU A 85 19.270 -8.716 18.525 1.00 0.62 C ATOM 1383 CG GLU A 85 18.436 -8.125 19.664 1.00 0.74 C ATOM 1384 CD GLU A 85 17.625 -9.235 20.335 1.00 1.22 C ATOM 1385 OE1 GLU A 85 18.208 -10.258 20.654 1.00 1.74 O ATOM 1386 OE2 GLU A 85 16.434 -9.043 20.519 1.00 1.81 O ATOM 0 H GLU A 85 20.871 -7.811 20.199 1.00 0.67 H new ATOM 0 HA GLU A 85 20.008 -10.492 19.537 1.00 0.65 H new ATOM 0 HB2 GLU A 85 19.685 -7.915 17.912 1.00 0.62 H new ATOM 0 HB3 GLU A 85 18.637 -9.320 17.874 1.00 0.62 H new ATOM 0 HG2 GLU A 85 19.087 -7.645 20.394 1.00 0.74 H new ATOM 0 HG3 GLU A 85 17.768 -7.355 19.278 1.00 0.74 H new ATOM 1393 N LEU A 86 22.281 -9.053 17.649 1.00 0.51 N ATOM 1394 CA LEU A 86 23.208 -9.317 16.508 1.00 0.50 C ATOM 1395 C LEU A 86 24.198 -10.449 16.820 1.00 0.46 C ATOM 1396 O LEU A 86 24.384 -11.346 16.025 1.00 0.49 O ATOM 1397 CB LEU A 86 23.986 -8.032 16.221 1.00 0.52 C ATOM 1398 CG LEU A 86 24.954 -8.268 15.066 1.00 0.66 C ATOM 1399 CD1 LEU A 86 24.238 -8.022 13.738 1.00 1.75 C ATOM 1400 CD2 LEU A 86 26.127 -7.302 15.198 1.00 1.46 C ATOM 0 H LEU A 86 22.429 -8.167 18.132 1.00 0.51 H new ATOM 0 HA LEU A 86 22.618 -9.627 15.645 1.00 0.50 H new ATOM 0 HB2 LEU A 86 23.297 -7.225 15.972 1.00 0.52 H new ATOM 0 HB3 LEU A 86 24.534 -7.720 17.110 1.00 0.52 H new ATOM 0 HG LEU A 86 25.316 -9.296 15.093 1.00 0.66 H new ATOM 0 HD11 LEU A 86 24.931 -8.191 12.914 1.00 1.75 H new ATOM 0 HD12 LEU A 86 23.394 -8.705 13.648 1.00 1.75 H new ATOM 0 HD13 LEU A 86 23.878 -6.994 13.704 1.00 1.75 H new ATOM 0 HD21 LEU A 86 26.825 -7.463 14.376 1.00 1.46 H new ATOM 0 HD22 LEU A 86 25.759 -6.276 15.166 1.00 1.46 H new ATOM 0 HD23 LEU A 86 26.636 -7.475 16.146 1.00 1.46 H new ATOM 1412 N ARG A 87 24.848 -10.411 17.947 1.00 0.45 N ATOM 1413 CA ARG A 87 25.840 -11.482 18.273 1.00 0.48 C ATOM 1414 C ARG A 87 25.161 -12.840 18.554 1.00 0.44 C ATOM 1415 O ARG A 87 25.738 -13.881 18.310 1.00 0.46 O ATOM 1416 CB ARG A 87 26.639 -11.062 19.508 1.00 0.62 C ATOM 1417 CG ARG A 87 27.873 -11.955 19.645 1.00 0.98 C ATOM 1418 CD ARG A 87 28.985 -11.187 20.361 1.00 1.07 C ATOM 1419 NE ARG A 87 30.209 -12.034 20.426 1.00 1.68 N ATOM 1420 CZ ARG A 87 30.197 -13.147 21.107 1.00 2.06 C ATOM 1421 NH1 ARG A 87 29.237 -13.381 21.959 1.00 2.85 N ATOM 1422 NH2 ARG A 87 31.145 -14.028 20.934 1.00 2.50 N ATOM 0 H ARG A 87 24.739 -9.688 18.658 1.00 0.45 H new ATOM 0 HA ARG A 87 26.491 -11.607 17.408 1.00 0.48 H new ATOM 0 HB2 ARG A 87 26.940 -10.018 19.422 1.00 0.62 H new ATOM 0 HB3 ARG A 87 26.018 -11.142 20.400 1.00 0.62 H new ATOM 0 HG2 ARG A 87 27.622 -12.856 20.204 1.00 0.98 H new ATOM 0 HG3 ARG A 87 28.214 -12.275 18.660 1.00 0.98 H new ATOM 0 HD2 ARG A 87 29.200 -10.259 19.832 1.00 1.07 H new ATOM 0 HD3 ARG A 87 28.664 -10.914 21.366 1.00 1.07 H new ATOM 0 HE ARG A 87 31.056 -11.744 19.938 1.00 1.68 H new ATOM 0 HH11 ARG A 87 28.495 -12.694 22.093 1.00 2.85 H new ATOM 0 HH12 ARG A 87 29.228 -14.251 22.491 1.00 2.85 H new ATOM 0 HH21 ARG A 87 31.895 -13.846 20.267 1.00 2.50 H new ATOM 0 HH22 ARG A 87 31.136 -14.898 21.466 1.00 2.50 H new ATOM 1436 N ARG A 88 23.977 -12.851 19.109 1.00 0.43 N ATOM 1437 CA ARG A 88 23.322 -14.160 19.450 1.00 0.46 C ATOM 1438 C ARG A 88 22.825 -14.922 18.206 1.00 0.39 C ATOM 1439 O ARG A 88 23.052 -16.109 18.073 1.00 0.41 O ATOM 1440 CB ARG A 88 22.133 -13.894 20.375 1.00 0.56 C ATOM 1441 CG ARG A 88 21.729 -15.193 21.075 1.00 1.34 C ATOM 1442 CD ARG A 88 21.595 -14.945 22.578 1.00 1.52 C ATOM 1443 NE ARG A 88 21.321 -16.237 23.269 1.00 1.72 N ATOM 1444 CZ ARG A 88 21.443 -16.330 24.566 1.00 2.39 C ATOM 1445 NH1 ARG A 88 21.935 -15.334 25.253 1.00 3.48 N ATOM 1446 NH2 ARG A 88 21.072 -17.421 25.178 1.00 2.71 N ATOM 0 H ARG A 88 23.434 -12.019 19.342 1.00 0.43 H new ATOM 0 HA ARG A 88 24.073 -14.783 19.936 1.00 0.46 H new ATOM 0 HB2 ARG A 88 22.396 -13.137 21.114 1.00 0.56 H new ATOM 0 HB3 ARG A 88 21.293 -13.501 19.801 1.00 0.56 H new ATOM 0 HG2 ARG A 88 20.785 -15.557 20.671 1.00 1.34 H new ATOM 0 HG3 ARG A 88 22.475 -15.966 20.889 1.00 1.34 H new ATOM 0 HD2 ARG A 88 22.510 -14.498 22.967 1.00 1.52 H new ATOM 0 HD3 ARG A 88 20.788 -14.238 22.771 1.00 1.52 H new ATOM 0 HE ARG A 88 21.037 -17.053 22.726 1.00 1.72 H new ATOM 0 HH11 ARG A 88 22.225 -14.480 24.777 1.00 3.48 H new ATOM 0 HH12 ARG A 88 22.029 -15.410 26.266 1.00 3.48 H new ATOM 0 HH21 ARG A 88 20.687 -18.200 24.644 1.00 2.71 H new ATOM 0 HH22 ARG A 88 21.167 -17.495 26.191 1.00 2.71 H new ATOM 1460 N LEU A 89 22.136 -14.273 17.310 1.00 0.37 N ATOM 1461 CA LEU A 89 21.611 -14.987 16.099 1.00 0.43 C ATOM 1462 C LEU A 89 22.754 -15.279 15.132 1.00 0.38 C ATOM 1463 O LEU A 89 22.846 -16.340 14.546 1.00 0.45 O ATOM 1464 CB LEU A 89 20.563 -14.081 15.426 1.00 0.56 C ATOM 1465 CG LEU A 89 20.608 -14.150 13.878 1.00 0.69 C ATOM 1466 CD1 LEU A 89 21.855 -13.444 13.324 1.00 0.67 C ATOM 1467 CD2 LEU A 89 20.605 -15.608 13.428 1.00 0.77 C ATOM 0 H LEU A 89 21.911 -13.279 17.358 1.00 0.37 H new ATOM 0 HA LEU A 89 21.156 -15.935 16.386 1.00 0.43 H new ATOM 0 HB2 LEU A 89 19.569 -14.368 15.768 1.00 0.56 H new ATOM 0 HB3 LEU A 89 20.724 -13.051 15.743 1.00 0.56 H new ATOM 0 HG LEU A 89 19.726 -13.640 13.490 1.00 0.69 H new ATOM 0 HD11 LEU A 89 21.857 -13.510 12.236 1.00 0.67 H new ATOM 0 HD12 LEU A 89 21.843 -12.396 13.624 1.00 0.67 H new ATOM 0 HD13 LEU A 89 22.750 -13.924 13.718 1.00 0.67 H new ATOM 0 HD21 LEU A 89 20.637 -15.653 12.339 1.00 0.77 H new ATOM 0 HD22 LEU A 89 21.477 -16.117 13.838 1.00 0.77 H new ATOM 0 HD23 LEU A 89 19.699 -16.097 13.785 1.00 0.77 H new ATOM 1479 N LEU A 90 23.590 -14.313 14.930 1.00 0.35 N ATOM 1480 CA LEU A 90 24.706 -14.449 13.967 1.00 0.43 C ATOM 1481 C LEU A 90 25.754 -15.418 14.513 1.00 0.41 C ATOM 1482 O LEU A 90 26.412 -16.121 13.776 1.00 0.44 O ATOM 1483 CB LEU A 90 25.288 -13.051 13.736 1.00 0.54 C ATOM 1484 CG LEU A 90 26.633 -13.132 13.011 1.00 0.57 C ATOM 1485 CD1 LEU A 90 27.735 -13.504 14.004 1.00 0.96 C ATOM 1486 CD2 LEU A 90 26.572 -14.174 11.900 1.00 0.96 C ATOM 0 H LEU A 90 23.547 -13.411 15.404 1.00 0.35 H new ATOM 0 HA LEU A 90 24.361 -14.859 13.018 1.00 0.43 H new ATOM 0 HB2 LEU A 90 24.590 -12.454 13.149 1.00 0.54 H new ATOM 0 HB3 LEU A 90 25.416 -12.543 14.692 1.00 0.54 H new ATOM 0 HG LEU A 90 26.854 -12.159 12.572 1.00 0.57 H new ATOM 0 HD11 LEU A 90 28.691 -13.560 13.483 1.00 0.96 H new ATOM 0 HD12 LEU A 90 27.792 -12.746 14.785 1.00 0.96 H new ATOM 0 HD13 LEU A 90 27.509 -14.471 14.453 1.00 0.96 H new ATOM 0 HD21 LEU A 90 27.535 -14.221 11.392 1.00 0.96 H new ATOM 0 HD22 LEU A 90 26.339 -15.149 12.328 1.00 0.96 H new ATOM 0 HD23 LEU A 90 25.798 -13.898 11.184 1.00 0.96 H new ATOM 1498 N GLY A 91 25.926 -15.450 15.799 1.00 0.40 N ATOM 1499 CA GLY A 91 26.948 -16.354 16.390 1.00 0.44 C ATOM 1500 C GLY A 91 26.676 -17.821 16.023 1.00 0.40 C ATOM 1501 O GLY A 91 27.562 -18.648 16.116 1.00 0.45 O ATOM 0 H GLY A 91 25.403 -14.888 16.471 1.00 0.40 H new ATOM 0 HA2 GLY A 91 27.938 -16.066 16.037 1.00 0.44 H new ATOM 0 HA3 GLY A 91 26.951 -16.243 17.474 1.00 0.44 H new ATOM 1505 N LYS A 92 25.480 -18.179 15.620 1.00 0.37 N ATOM 1506 CA LYS A 92 25.238 -19.613 15.284 1.00 0.41 C ATOM 1507 C LYS A 92 25.597 -19.903 13.815 1.00 0.38 C ATOM 1508 O LYS A 92 26.088 -20.968 13.497 1.00 0.42 O ATOM 1509 CB LYS A 92 23.773 -19.957 15.549 1.00 0.46 C ATOM 1510 CG LYS A 92 23.580 -20.212 17.044 1.00 0.80 C ATOM 1511 CD LYS A 92 23.196 -21.677 17.269 1.00 1.20 C ATOM 1512 CE LYS A 92 24.463 -22.512 17.467 1.00 1.28 C ATOM 1513 NZ LYS A 92 24.396 -23.215 18.779 1.00 1.80 N ATOM 0 H LYS A 92 24.680 -17.556 15.512 1.00 0.37 H new ATOM 0 HA LYS A 92 25.876 -20.233 15.913 1.00 0.41 H new ATOM 0 HB2 LYS A 92 23.130 -19.140 15.221 1.00 0.46 H new ATOM 0 HB3 LYS A 92 23.485 -20.839 14.977 1.00 0.46 H new ATOM 0 HG2 LYS A 92 24.497 -19.979 17.585 1.00 0.80 H new ATOM 0 HG3 LYS A 92 22.803 -19.557 17.438 1.00 0.80 H new ATOM 0 HD2 LYS A 92 22.550 -21.765 18.142 1.00 1.20 H new ATOM 0 HD3 LYS A 92 22.631 -22.051 16.415 1.00 1.20 H new ATOM 0 HE2 LYS A 92 24.563 -23.237 16.659 1.00 1.28 H new ATOM 0 HE3 LYS A 92 25.343 -21.870 17.431 1.00 1.28 H new ATOM 0 HZ1 LYS A 92 25.257 -23.782 18.913 1.00 1.80 H new ATOM 0 HZ2 LYS A 92 24.320 -22.515 19.544 1.00 1.80 H new ATOM 0 HZ3 LYS A 92 23.564 -23.839 18.796 1.00 1.80 H new ATOM 1527 N VAL A 93 25.354 -18.985 12.912 1.00 0.35 N ATOM 1528 CA VAL A 93 25.682 -19.243 11.480 1.00 0.36 C ATOM 1529 C VAL A 93 27.181 -19.456 11.300 1.00 0.40 C ATOM 1530 O VAL A 93 27.621 -20.168 10.420 1.00 0.43 O ATOM 1531 CB VAL A 93 25.264 -18.040 10.648 1.00 0.40 C ATOM 1532 CG1 VAL A 93 23.762 -18.076 10.423 1.00 0.48 C ATOM 1533 CG2 VAL A 93 25.636 -16.757 11.381 1.00 0.64 C ATOM 0 H VAL A 93 24.944 -18.071 13.106 1.00 0.35 H new ATOM 0 HA VAL A 93 25.151 -20.139 11.159 1.00 0.36 H new ATOM 0 HB VAL A 93 25.777 -18.070 9.687 1.00 0.40 H new ATOM 0 HG11 VAL A 93 23.463 -17.214 9.827 1.00 0.48 H new ATOM 0 HG12 VAL A 93 23.495 -18.992 9.896 1.00 0.48 H new ATOM 0 HG13 VAL A 93 23.249 -18.048 11.384 1.00 0.48 H new ATOM 0 HG21 VAL A 93 25.336 -15.896 10.783 1.00 0.64 H new ATOM 0 HG22 VAL A 93 25.125 -16.727 12.343 1.00 0.64 H new ATOM 0 HG23 VAL A 93 26.714 -16.729 11.541 1.00 0.64 H new ATOM 1543 N GLU A 94 27.963 -18.831 12.116 1.00 0.45 N ATOM 1544 CA GLU A 94 29.442 -18.971 11.994 1.00 0.50 C ATOM 1545 C GLU A 94 29.834 -20.453 12.053 1.00 0.56 C ATOM 1546 O GLU A 94 30.934 -20.823 11.696 1.00 0.64 O ATOM 1547 CB GLU A 94 30.118 -18.218 13.141 1.00 0.61 C ATOM 1548 CG GLU A 94 31.565 -17.900 12.760 1.00 1.08 C ATOM 1549 CD GLU A 94 32.251 -17.174 13.919 1.00 1.74 C ATOM 1550 OE1 GLU A 94 31.544 -16.641 14.759 1.00 2.52 O ATOM 1551 OE2 GLU A 94 33.470 -17.163 13.947 1.00 2.33 O ATOM 0 H GLU A 94 27.647 -18.222 12.871 1.00 0.45 H new ATOM 0 HA GLU A 94 29.765 -18.555 11.040 1.00 0.50 H new ATOM 0 HB2 GLU A 94 29.576 -17.297 13.355 1.00 0.61 H new ATOM 0 HB3 GLU A 94 30.094 -18.820 14.049 1.00 0.61 H new ATOM 0 HG2 GLU A 94 32.101 -18.820 12.525 1.00 1.08 H new ATOM 0 HG3 GLU A 94 31.588 -17.280 11.864 1.00 1.08 H new ATOM 1558 N GLN A 95 28.946 -21.305 12.491 1.00 0.64 N ATOM 1559 CA GLN A 95 29.281 -22.757 12.558 1.00 0.84 C ATOM 1560 C GLN A 95 29.926 -23.197 11.240 1.00 0.95 C ATOM 1561 O GLN A 95 31.133 -23.245 11.118 1.00 1.53 O ATOM 1562 CB GLN A 95 28.005 -23.566 12.798 1.00 1.16 C ATOM 1563 CG GLN A 95 28.094 -24.266 14.156 1.00 1.86 C ATOM 1564 CD GLN A 95 27.207 -25.513 14.150 1.00 2.49 C ATOM 1565 OE1 GLN A 95 27.493 -26.478 14.829 1.00 3.35 O ATOM 1566 NE2 GLN A 95 26.135 -25.534 13.406 1.00 3.05 N ATOM 0 H GLN A 95 28.007 -21.060 12.804 1.00 0.64 H new ATOM 0 HA GLN A 95 29.979 -22.929 13.377 1.00 0.84 H new ATOM 0 HB2 GLN A 95 27.135 -22.910 12.771 1.00 1.16 H new ATOM 0 HB3 GLN A 95 27.874 -24.302 12.005 1.00 1.16 H new ATOM 0 HG2 GLN A 95 29.127 -24.543 14.367 1.00 1.86 H new ATOM 0 HG3 GLN A 95 27.778 -23.587 14.948 1.00 1.86 H new ATOM 0 HE21 GLN A 95 25.894 -24.724 12.835 1.00 3.05 H new ATOM 0 HE22 GLN A 95 25.538 -26.361 13.395 1.00 3.05 H new ATOM 1575 N LYS A 96 29.132 -23.519 10.251 1.00 0.90 N ATOM 1576 CA LYS A 96 29.707 -23.956 8.946 1.00 1.16 C ATOM 1577 C LYS A 96 28.575 -24.318 7.980 1.00 0.89 C ATOM 1578 O LYS A 96 27.878 -25.296 8.165 1.00 0.96 O ATOM 1579 CB LYS A 96 30.598 -25.181 9.164 1.00 1.65 C ATOM 1580 CG LYS A 96 31.341 -25.509 7.868 1.00 2.24 C ATOM 1581 CD LYS A 96 32.548 -26.396 8.179 1.00 2.80 C ATOM 1582 CE LYS A 96 33.613 -25.572 8.906 1.00 3.71 C ATOM 1583 NZ LYS A 96 34.742 -26.461 9.305 1.00 4.27 N ATOM 0 H LYS A 96 28.113 -23.498 10.292 1.00 0.90 H new ATOM 0 HA LYS A 96 30.299 -23.144 8.524 1.00 1.16 H new ATOM 0 HB2 LYS A 96 31.311 -24.987 9.965 1.00 1.65 H new ATOM 0 HB3 LYS A 96 29.993 -26.033 9.475 1.00 1.65 H new ATOM 0 HG2 LYS A 96 30.673 -26.017 7.173 1.00 2.24 H new ATOM 0 HG3 LYS A 96 31.668 -24.590 7.382 1.00 2.24 H new ATOM 0 HD2 LYS A 96 32.242 -27.241 8.796 1.00 2.80 H new ATOM 0 HD3 LYS A 96 32.958 -26.807 7.256 1.00 2.80 H new ATOM 0 HE2 LYS A 96 33.976 -24.774 8.258 1.00 3.71 H new ATOM 0 HE3 LYS A 96 33.182 -25.096 9.787 1.00 3.71 H new ATOM 0 HZ1 LYS A 96 35.466 -25.902 9.799 1.00 4.27 H new ATOM 0 HZ2 LYS A 96 34.389 -27.207 9.938 1.00 4.27 H new ATOM 0 HZ3 LYS A 96 35.159 -26.895 8.457 1.00 4.27 H new ATOM 1597 N GLY A 97 28.388 -23.537 6.951 1.00 0.81 N ATOM 1598 CA GLY A 97 27.303 -23.836 5.971 1.00 0.76 C ATOM 1599 C GLY A 97 26.007 -23.166 6.429 1.00 0.68 C ATOM 1600 O GLY A 97 24.921 -23.614 6.125 1.00 0.82 O ATOM 0 H GLY A 97 28.940 -22.704 6.746 1.00 0.81 H new ATOM 0 HA2 GLY A 97 27.582 -23.475 4.981 1.00 0.76 H new ATOM 0 HA3 GLY A 97 27.159 -24.913 5.888 1.00 0.76 H new ATOM 1604 N LEU A 98 26.119 -22.096 7.164 1.00 0.59 N ATOM 1605 CA LEU A 98 24.903 -21.389 7.654 1.00 0.52 C ATOM 1606 C LEU A 98 24.871 -19.971 7.085 1.00 0.41 C ATOM 1607 O LEU A 98 25.900 -19.400 6.784 1.00 0.43 O ATOM 1608 CB LEU A 98 24.959 -21.258 9.168 1.00 0.61 C ATOM 1609 CG LEU A 98 24.498 -22.546 9.830 1.00 0.63 C ATOM 1610 CD1 LEU A 98 25.141 -23.743 9.125 1.00 0.89 C ATOM 1611 CD2 LEU A 98 24.917 -22.539 11.302 1.00 0.83 C ATOM 0 H LEU A 98 27.005 -21.678 7.448 1.00 0.59 H new ATOM 0 HA LEU A 98 24.026 -21.957 7.344 1.00 0.52 H new ATOM 0 HB2 LEU A 98 25.977 -21.025 9.482 1.00 0.61 H new ATOM 0 HB3 LEU A 98 24.328 -20.430 9.491 1.00 0.61 H new ATOM 0 HG LEU A 98 23.413 -22.622 9.759 1.00 0.63 H new ATOM 0 HD11 LEU A 98 24.810 -24.666 9.600 1.00 0.89 H new ATOM 0 HD12 LEU A 98 24.846 -23.749 8.076 1.00 0.89 H new ATOM 0 HD13 LEU A 98 26.226 -23.667 9.196 1.00 0.89 H new ATOM 0 HD21 LEU A 98 24.587 -23.462 11.779 1.00 0.83 H new ATOM 0 HD22 LEU A 98 26.002 -22.463 11.371 1.00 0.83 H new ATOM 0 HD23 LEU A 98 24.461 -21.687 11.806 1.00 0.83 H new ATOM 1623 N THR A 99 23.714 -19.379 6.955 1.00 0.40 N ATOM 1624 CA THR A 99 23.679 -17.981 6.427 1.00 0.47 C ATOM 1625 C THR A 99 22.941 -17.065 7.398 1.00 0.42 C ATOM 1626 O THR A 99 22.343 -17.503 8.360 1.00 0.47 O ATOM 1627 CB THR A 99 22.952 -17.939 5.076 1.00 0.64 C ATOM 1628 OG1 THR A 99 22.365 -19.207 4.817 1.00 0.86 O ATOM 1629 CG2 THR A 99 23.949 -17.600 3.967 1.00 0.89 C ATOM 0 H THR A 99 22.809 -19.790 7.185 1.00 0.40 H new ATOM 0 HA THR A 99 24.708 -17.642 6.306 1.00 0.47 H new ATOM 0 HB THR A 99 22.174 -17.177 5.106 1.00 0.64 H new ATOM 0 HG1 THR A 99 21.390 -19.136 4.884 1.00 0.86 H new ATOM 0 HG21 THR A 99 23.431 -17.571 3.008 1.00 0.89 H new ATOM 0 HG22 THR A 99 24.398 -16.627 4.167 1.00 0.89 H new ATOM 0 HG23 THR A 99 24.729 -18.360 3.934 1.00 0.89 H new ATOM 1637 N LEU A 100 22.931 -15.792 7.107 1.00 0.64 N ATOM 1638 CA LEU A 100 22.188 -14.845 7.949 1.00 0.62 C ATOM 1639 C LEU A 100 21.400 -13.934 7.013 1.00 0.62 C ATOM 1640 O LEU A 100 21.910 -13.299 6.114 1.00 0.68 O ATOM 1641 CB LEU A 100 23.132 -14.028 8.837 1.00 0.68 C ATOM 1642 CG LEU A 100 24.574 -14.219 8.392 1.00 0.72 C ATOM 1643 CD1 LEU A 100 24.690 -13.784 6.946 1.00 1.30 C ATOM 1644 CD2 LEU A 100 25.482 -13.354 9.257 1.00 0.94 C ATOM 0 H LEU A 100 23.414 -15.375 6.311 1.00 0.64 H new ATOM 0 HA LEU A 100 21.518 -15.382 8.621 1.00 0.62 H new ATOM 0 HB2 LEU A 100 22.866 -12.972 8.787 1.00 0.68 H new ATOM 0 HB3 LEU A 100 23.021 -14.336 9.877 1.00 0.68 H new ATOM 0 HG LEU A 100 24.867 -15.264 8.493 1.00 0.72 H new ATOM 0 HD11 LEU A 100 25.718 -13.914 6.608 1.00 1.30 H new ATOM 0 HD12 LEU A 100 24.026 -14.390 6.329 1.00 1.30 H new ATOM 0 HD13 LEU A 100 24.409 -12.735 6.858 1.00 1.30 H new ATOM 0 HD21 LEU A 100 26.517 -13.486 8.943 1.00 0.94 H new ATOM 0 HD22 LEU A 100 25.200 -12.307 9.146 1.00 0.94 H new ATOM 0 HD23 LEU A 100 25.379 -13.649 10.301 1.00 0.94 H new ATOM 1656 N VAL A 101 20.147 -13.915 7.214 1.00 0.57 N ATOM 1657 CA VAL A 101 19.243 -13.109 6.357 1.00 0.59 C ATOM 1658 C VAL A 101 18.076 -12.579 7.210 1.00 0.52 C ATOM 1659 O VAL A 101 17.516 -13.332 7.968 1.00 0.46 O ATOM 1660 CB VAL A 101 18.725 -14.059 5.268 1.00 0.62 C ATOM 1661 CG1 VAL A 101 17.642 -14.953 5.862 1.00 0.93 C ATOM 1662 CG2 VAL A 101 18.134 -13.274 4.099 1.00 0.67 C ATOM 0 H VAL A 101 19.678 -14.435 7.956 1.00 0.57 H new ATOM 0 HA VAL A 101 19.752 -12.253 5.915 1.00 0.59 H new ATOM 0 HB VAL A 101 19.559 -14.659 4.902 1.00 0.62 H new ATOM 0 HG11 VAL A 101 17.269 -15.631 5.095 1.00 0.93 H new ATOM 0 HG12 VAL A 101 18.059 -15.532 6.686 1.00 0.93 H new ATOM 0 HG13 VAL A 101 16.823 -14.336 6.231 1.00 0.93 H new ATOM 0 HG21 VAL A 101 17.774 -13.968 3.340 1.00 0.67 H new ATOM 0 HG22 VAL A 101 17.305 -12.662 4.454 1.00 0.67 H new ATOM 0 HG23 VAL A 101 18.901 -12.631 3.668 1.00 0.67 H new ATOM 1672 N PRO A 102 17.721 -11.323 7.057 1.00 0.63 N ATOM 1673 CA PRO A 102 16.581 -10.733 7.795 1.00 0.62 C ATOM 1674 C PRO A 102 15.282 -11.161 7.071 1.00 0.75 C ATOM 1675 O PRO A 102 14.490 -10.345 6.644 1.00 1.33 O ATOM 1676 CB PRO A 102 16.815 -9.226 7.675 1.00 0.73 C ATOM 1677 CG PRO A 102 17.714 -9.023 6.437 1.00 0.86 C ATOM 1678 CD PRO A 102 18.412 -10.374 6.163 1.00 0.84 C ATOM 0 HA PRO A 102 16.498 -11.042 8.837 1.00 0.62 H new ATOM 0 HB2 PRO A 102 15.871 -8.694 7.561 1.00 0.73 H new ATOM 0 HB3 PRO A 102 17.295 -8.835 8.572 1.00 0.73 H new ATOM 0 HG2 PRO A 102 17.122 -8.713 5.576 1.00 0.86 H new ATOM 0 HG3 PRO A 102 18.449 -8.238 6.618 1.00 0.86 H new ATOM 0 HD2 PRO A 102 18.315 -10.668 5.118 1.00 0.84 H new ATOM 0 HD3 PRO A 102 19.478 -10.324 6.383 1.00 0.84 H new ATOM 1686 N LEU A 103 15.120 -12.454 6.899 1.00 0.52 N ATOM 1687 CA LEU A 103 13.959 -13.056 6.173 1.00 0.60 C ATOM 1688 C LEU A 103 12.772 -12.125 6.087 1.00 0.54 C ATOM 1689 O LEU A 103 12.153 -12.011 5.058 1.00 0.65 O ATOM 1690 CB LEU A 103 13.487 -14.349 6.865 1.00 0.77 C ATOM 1691 CG LEU A 103 14.420 -14.772 8.005 1.00 1.78 C ATOM 1692 CD1 LEU A 103 13.603 -15.487 9.081 1.00 2.43 C ATOM 1693 CD2 LEU A 103 15.474 -15.734 7.459 1.00 2.65 C ATOM 0 H LEU A 103 15.781 -13.146 7.252 1.00 0.52 H new ATOM 0 HA LEU A 103 14.321 -13.262 5.166 1.00 0.60 H new ATOM 0 HB2 LEU A 103 12.481 -14.202 7.257 1.00 0.77 H new ATOM 0 HB3 LEU A 103 13.428 -15.151 6.130 1.00 0.77 H new ATOM 0 HG LEU A 103 14.905 -13.893 8.430 1.00 1.78 H new ATOM 0 HD11 LEU A 103 14.261 -15.791 9.895 1.00 2.43 H new ATOM 0 HD12 LEU A 103 12.838 -14.812 9.465 1.00 2.43 H new ATOM 0 HD13 LEU A 103 13.127 -16.368 8.651 1.00 2.43 H new ATOM 0 HD21 LEU A 103 16.141 -16.039 8.265 1.00 2.65 H new ATOM 0 HD22 LEU A 103 14.983 -16.613 7.042 1.00 2.65 H new ATOM 0 HD23 LEU A 103 16.051 -15.237 6.679 1.00 2.65 H new ATOM 1705 N LYS A 104 12.395 -11.496 7.137 1.00 0.45 N ATOM 1706 CA LYS A 104 11.188 -10.644 7.005 1.00 0.46 C ATOM 1707 C LYS A 104 11.458 -9.209 7.411 1.00 0.42 C ATOM 1708 O LYS A 104 11.804 -8.915 8.537 1.00 0.50 O ATOM 1709 CB LYS A 104 10.082 -11.211 7.895 1.00 0.62 C ATOM 1710 CG LYS A 104 9.137 -12.065 7.050 1.00 0.80 C ATOM 1711 CD LYS A 104 7.728 -11.476 7.113 1.00 0.99 C ATOM 1712 CE LYS A 104 7.024 -11.978 8.374 1.00 1.24 C ATOM 1713 NZ LYS A 104 6.180 -13.157 8.032 1.00 1.63 N ATOM 0 H LYS A 104 12.841 -11.522 8.054 1.00 0.45 H new ATOM 0 HA LYS A 104 10.888 -10.646 5.957 1.00 0.46 H new ATOM 0 HB2 LYS A 104 10.516 -11.812 8.694 1.00 0.62 H new ATOM 0 HB3 LYS A 104 9.530 -10.400 8.369 1.00 0.62 H new ATOM 0 HG2 LYS A 104 9.484 -12.097 6.017 1.00 0.80 H new ATOM 0 HG3 LYS A 104 9.131 -13.092 7.417 1.00 0.80 H new ATOM 0 HD2 LYS A 104 7.777 -10.387 7.120 1.00 0.99 H new ATOM 0 HD3 LYS A 104 7.161 -11.764 6.228 1.00 0.99 H new ATOM 0 HE2 LYS A 104 7.760 -12.250 9.131 1.00 1.24 H new ATOM 0 HE3 LYS A 104 6.407 -11.186 8.799 1.00 1.24 H new ATOM 0 HZ1 LYS A 104 5.700 -13.500 8.888 1.00 1.63 H new ATOM 0 HZ2 LYS A 104 5.470 -12.882 7.324 1.00 1.63 H new ATOM 0 HZ3 LYS A 104 6.780 -13.913 7.645 1.00 1.63 H new ATOM 1727 N ILE A 105 11.237 -8.306 6.504 1.00 0.38 N ATOM 1728 CA ILE A 105 11.411 -6.869 6.839 1.00 0.40 C ATOM 1729 C ILE A 105 10.027 -6.205 6.796 1.00 0.41 C ATOM 1730 O ILE A 105 9.435 -6.060 5.755 1.00 0.63 O ATOM 1731 CB ILE A 105 12.356 -6.194 5.834 1.00 0.45 C ATOM 1732 CG1 ILE A 105 13.804 -6.317 6.332 1.00 0.54 C ATOM 1733 CG2 ILE A 105 11.994 -4.714 5.710 1.00 0.62 C ATOM 1734 CD1 ILE A 105 14.707 -5.337 5.566 1.00 0.57 C ATOM 0 H ILE A 105 10.944 -8.499 5.546 1.00 0.38 H new ATOM 0 HA ILE A 105 11.851 -6.765 7.831 1.00 0.40 H new ATOM 0 HB ILE A 105 12.258 -6.679 4.863 1.00 0.45 H new ATOM 0 HG12 ILE A 105 13.849 -6.107 7.401 1.00 0.54 H new ATOM 0 HG13 ILE A 105 14.160 -7.338 6.193 1.00 0.54 H new ATOM 0 HG21 ILE A 105 12.664 -4.234 4.997 1.00 0.62 H new ATOM 0 HG22 ILE A 105 10.965 -4.619 5.362 1.00 0.62 H new ATOM 0 HG23 ILE A 105 12.094 -4.232 6.683 1.00 0.62 H new ATOM 0 HD11 ILE A 105 15.732 -5.430 5.925 1.00 0.57 H new ATOM 0 HD12 ILE A 105 14.673 -5.567 4.501 1.00 0.57 H new ATOM 0 HD13 ILE A 105 14.357 -4.317 5.728 1.00 0.57 H new ATOM 1746 N TYR A 106 9.512 -5.798 7.919 1.00 0.35 N ATOM 1747 CA TYR A 106 8.175 -5.144 7.946 1.00 0.35 C ATOM 1748 C TYR A 106 8.423 -3.653 8.091 1.00 0.33 C ATOM 1749 O TYR A 106 9.384 -3.246 8.705 1.00 0.41 O ATOM 1750 CB TYR A 106 7.379 -5.646 9.152 1.00 0.43 C ATOM 1751 CG TYR A 106 6.213 -6.487 8.690 1.00 0.79 C ATOM 1752 CD1 TYR A 106 6.438 -7.659 7.957 1.00 1.25 C ATOM 1753 CD2 TYR A 106 4.906 -6.097 9.003 1.00 1.13 C ATOM 1754 CE1 TYR A 106 5.354 -8.440 7.538 1.00 1.73 C ATOM 1755 CE2 TYR A 106 3.822 -6.877 8.583 1.00 1.57 C ATOM 1756 CZ TYR A 106 4.046 -8.049 7.851 1.00 1.80 C ATOM 1757 OH TYR A 106 2.978 -8.819 7.438 1.00 2.33 O ATOM 0 H TYR A 106 9.964 -5.891 8.829 1.00 0.35 H new ATOM 0 HA TYR A 106 7.610 -5.368 7.041 1.00 0.35 H new ATOM 0 HB2 TYR A 106 8.025 -6.233 9.805 1.00 0.43 H new ATOM 0 HB3 TYR A 106 7.018 -4.800 9.737 1.00 0.43 H new ATOM 0 HD1 TYR A 106 7.447 -7.960 7.715 1.00 1.25 H new ATOM 0 HD2 TYR A 106 4.733 -5.194 9.569 1.00 1.13 H new ATOM 0 HE1 TYR A 106 5.527 -9.344 6.973 1.00 1.73 H new ATOM 0 HE2 TYR A 106 2.813 -6.575 8.824 1.00 1.57 H new ATOM 0 HH TYR A 106 2.142 -8.407 7.739 1.00 2.33 H new ATOM 1767 N PHE A 107 7.613 -2.827 7.503 1.00 0.34 N ATOM 1768 CA PHE A 107 7.902 -1.376 7.599 1.00 0.32 C ATOM 1769 C PHE A 107 6.653 -0.558 7.954 1.00 0.30 C ATOM 1770 O PHE A 107 5.538 -0.919 7.634 1.00 0.42 O ATOM 1771 CB PHE A 107 8.460 -0.914 6.249 1.00 0.46 C ATOM 1772 CG PHE A 107 9.963 -0.775 6.357 1.00 1.03 C ATOM 1773 CD1 PHE A 107 10.794 -1.891 6.194 1.00 1.56 C ATOM 1774 CD2 PHE A 107 10.526 0.480 6.615 1.00 1.19 C ATOM 1775 CE1 PHE A 107 12.185 -1.747 6.285 1.00 2.13 C ATOM 1776 CE2 PHE A 107 11.917 0.621 6.707 1.00 1.77 C ATOM 1777 CZ PHE A 107 12.744 -0.492 6.540 1.00 2.21 C ATOM 0 H PHE A 107 6.781 -3.084 6.971 1.00 0.34 H new ATOM 0 HA PHE A 107 8.624 -1.215 8.399 1.00 0.32 H new ATOM 0 HB2 PHE A 107 8.204 -1.632 5.470 1.00 0.46 H new ATOM 0 HB3 PHE A 107 8.014 0.039 5.964 1.00 0.46 H new ATOM 0 HD1 PHE A 107 10.363 -2.862 5.998 1.00 1.56 H new ATOM 0 HD2 PHE A 107 9.887 1.341 6.743 1.00 1.19 H new ATOM 0 HE1 PHE A 107 12.826 -2.607 6.158 1.00 2.13 H new ATOM 0 HE2 PHE A 107 12.350 1.590 6.907 1.00 1.77 H new ATOM 0 HZ PHE A 107 13.816 -0.383 6.608 1.00 2.21 H new ATOM 1787 N ASN A 108 6.857 0.563 8.601 1.00 0.24 N ATOM 1788 CA ASN A 108 5.721 1.456 8.979 1.00 0.31 C ATOM 1789 C ASN A 108 6.223 2.902 8.974 1.00 0.35 C ATOM 1790 O ASN A 108 7.362 3.167 9.289 1.00 0.37 O ATOM 1791 CB ASN A 108 5.212 1.089 10.375 1.00 0.32 C ATOM 1792 CG ASN A 108 3.991 0.177 10.248 1.00 0.74 C ATOM 1793 OD1 ASN A 108 3.014 0.534 9.620 1.00 1.52 O ATOM 1794 ND2 ASN A 108 4.005 -0.995 10.823 1.00 1.12 N ATOM 0 H ASN A 108 7.776 0.901 8.887 1.00 0.24 H new ATOM 0 HA ASN A 108 4.902 1.340 8.269 1.00 0.31 H new ATOM 0 HB2 ASN A 108 5.997 0.587 10.940 1.00 0.32 H new ATOM 0 HB3 ASN A 108 4.950 1.991 10.927 1.00 0.32 H new ATOM 0 HD21 ASN A 108 3.196 -1.611 10.745 1.00 1.12 H new ATOM 0 HD22 ASN A 108 4.825 -1.295 11.350 1.00 1.12 H new ATOM 1801 N GLU A 109 5.387 3.838 8.606 1.00 0.46 N ATOM 1802 CA GLU A 109 5.831 5.267 8.544 1.00 0.51 C ATOM 1803 C GLU A 109 6.251 5.787 9.925 1.00 0.46 C ATOM 1804 O GLU A 109 6.728 6.897 10.051 1.00 0.51 O ATOM 1805 CB GLU A 109 4.682 6.127 8.015 1.00 0.60 C ATOM 1806 CG GLU A 109 5.218 7.500 7.604 1.00 1.43 C ATOM 1807 CD GLU A 109 4.054 8.485 7.475 1.00 2.03 C ATOM 1808 OE1 GLU A 109 3.326 8.641 8.442 1.00 2.60 O ATOM 1809 OE2 GLU A 109 3.912 9.067 6.413 1.00 2.58 O ATOM 0 H GLU A 109 4.414 3.676 8.345 1.00 0.46 H new ATOM 0 HA GLU A 109 6.693 5.326 7.880 1.00 0.51 H new ATOM 0 HB2 GLU A 109 4.211 5.639 7.162 1.00 0.60 H new ATOM 0 HB3 GLU A 109 3.915 6.239 8.781 1.00 0.60 H new ATOM 0 HG2 GLU A 109 5.932 7.860 8.345 1.00 1.43 H new ATOM 0 HG3 GLU A 109 5.752 7.425 6.656 1.00 1.43 H new ATOM 1816 N ARG A 110 6.094 5.010 10.957 1.00 0.40 N ATOM 1817 CA ARG A 110 6.505 5.488 12.307 1.00 0.40 C ATOM 1818 C ARG A 110 8.003 5.225 12.512 1.00 0.38 C ATOM 1819 O ARG A 110 8.488 5.211 13.626 1.00 0.42 O ATOM 1820 CB ARG A 110 5.708 4.738 13.377 1.00 0.41 C ATOM 1821 CG ARG A 110 4.914 5.736 14.221 1.00 1.19 C ATOM 1822 CD ARG A 110 3.830 4.993 15.004 1.00 2.14 C ATOM 1823 NE ARG A 110 4.123 5.081 16.462 1.00 2.39 N ATOM 1824 CZ ARG A 110 3.789 4.099 17.254 1.00 2.99 C ATOM 1825 NH1 ARG A 110 3.967 2.864 16.874 1.00 3.45 N ATOM 1826 NH2 ARG A 110 3.277 4.354 18.427 1.00 3.57 N ATOM 0 H ARG A 110 5.701 4.069 10.927 1.00 0.40 H new ATOM 0 HA ARG A 110 6.310 6.557 12.387 1.00 0.40 H new ATOM 0 HB2 ARG A 110 5.031 4.025 12.907 1.00 0.41 H new ATOM 0 HB3 ARG A 110 6.383 4.165 14.013 1.00 0.41 H new ATOM 0 HG2 ARG A 110 5.580 6.259 14.908 1.00 1.19 H new ATOM 0 HG3 ARG A 110 4.461 6.492 13.579 1.00 1.19 H new ATOM 0 HD2 ARG A 110 2.852 5.425 14.792 1.00 2.14 H new ATOM 0 HD3 ARG A 110 3.792 3.949 14.692 1.00 2.14 H new ATOM 0 HE ARG A 110 4.584 5.908 16.841 1.00 2.39 H new ATOM 0 HH11 ARG A 110 4.368 2.665 15.957 1.00 3.45 H new ATOM 0 HH12 ARG A 110 3.706 2.097 17.494 1.00 3.45 H new ATOM 0 HH21 ARG A 110 3.138 5.320 18.724 1.00 3.57 H new ATOM 0 HH22 ARG A 110 3.016 3.587 19.047 1.00 3.57 H new ATOM 1840 N GLY A 111 8.741 4.993 11.454 1.00 0.36 N ATOM 1841 CA GLY A 111 10.198 4.708 11.621 1.00 0.36 C ATOM 1842 C GLY A 111 10.332 3.405 12.385 1.00 0.32 C ATOM 1843 O GLY A 111 11.276 3.187 13.118 1.00 0.38 O ATOM 0 H GLY A 111 8.401 4.989 10.492 1.00 0.36 H new ATOM 0 HA2 GLY A 111 10.686 4.633 10.649 1.00 0.36 H new ATOM 0 HA3 GLY A 111 10.686 5.519 12.161 1.00 0.36 H new ATOM 1847 N TYR A 112 9.385 2.532 12.210 1.00 0.27 N ATOM 1848 CA TYR A 112 9.438 1.232 12.912 1.00 0.32 C ATOM 1849 C TYR A 112 9.303 0.108 11.890 1.00 0.31 C ATOM 1850 O TYR A 112 8.240 -0.154 11.363 1.00 0.31 O ATOM 1851 CB TYR A 112 8.288 1.150 13.916 1.00 0.38 C ATOM 1852 CG TYR A 112 8.841 0.913 15.300 1.00 0.74 C ATOM 1853 CD1 TYR A 112 9.503 1.944 15.976 1.00 0.96 C ATOM 1854 CD2 TYR A 112 8.691 -0.340 15.907 1.00 1.30 C ATOM 1855 CE1 TYR A 112 10.015 1.723 17.260 1.00 1.24 C ATOM 1856 CE2 TYR A 112 9.204 -0.561 17.191 1.00 1.70 C ATOM 1857 CZ TYR A 112 9.866 0.470 17.867 1.00 1.59 C ATOM 1858 OH TYR A 112 10.372 0.251 19.133 1.00 2.02 O ATOM 0 H TYR A 112 8.573 2.667 11.607 1.00 0.27 H new ATOM 0 HA TYR A 112 10.387 1.136 13.440 1.00 0.32 H new ATOM 0 HB2 TYR A 112 7.709 2.074 13.898 1.00 0.38 H new ATOM 0 HB3 TYR A 112 7.609 0.343 13.641 1.00 0.38 H new ATOM 0 HD1 TYR A 112 9.619 2.910 15.507 1.00 0.96 H new ATOM 0 HD2 TYR A 112 8.180 -1.135 15.385 1.00 1.30 H new ATOM 0 HE1 TYR A 112 10.525 2.519 17.782 1.00 1.24 H new ATOM 0 HE2 TYR A 112 9.089 -1.527 17.660 1.00 1.70 H new ATOM 0 HH TYR A 112 10.182 -0.671 19.406 1.00 2.02 H new ATOM 1868 N ALA A 113 10.377 -0.570 11.636 1.00 0.35 N ATOM 1869 CA ALA A 113 10.355 -1.706 10.682 1.00 0.37 C ATOM 1870 C ALA A 113 10.831 -2.924 11.450 1.00 0.43 C ATOM 1871 O ALA A 113 11.771 -2.844 12.213 1.00 0.48 O ATOM 1872 CB ALA A 113 11.296 -1.430 9.508 1.00 0.39 C ATOM 0 H ALA A 113 11.287 -0.383 12.056 1.00 0.35 H new ATOM 0 HA ALA A 113 9.354 -1.858 10.277 1.00 0.37 H new ATOM 0 HB1 ALA A 113 11.270 -2.271 8.816 1.00 0.39 H new ATOM 0 HB2 ALA A 113 10.977 -0.525 8.991 1.00 0.39 H new ATOM 0 HB3 ALA A 113 12.312 -1.297 9.880 1.00 0.39 H new ATOM 1878 N LYS A 114 10.202 -4.044 11.303 1.00 0.44 N ATOM 1879 CA LYS A 114 10.683 -5.207 12.097 1.00 0.49 C ATOM 1880 C LYS A 114 11.525 -6.123 11.216 1.00 0.48 C ATOM 1881 O LYS A 114 11.144 -6.492 10.134 1.00 0.48 O ATOM 1882 CB LYS A 114 9.482 -5.988 12.633 1.00 0.56 C ATOM 1883 CG LYS A 114 8.820 -5.196 13.761 1.00 1.16 C ATOM 1884 CD LYS A 114 8.506 -6.135 14.927 1.00 1.45 C ATOM 1885 CE LYS A 114 7.072 -5.897 15.402 1.00 2.11 C ATOM 1886 NZ LYS A 114 6.818 -4.432 15.495 1.00 2.54 N ATOM 0 H LYS A 114 9.403 -4.210 10.692 1.00 0.44 H new ATOM 0 HA LYS A 114 11.290 -4.847 12.928 1.00 0.49 H new ATOM 0 HB2 LYS A 114 8.765 -6.168 11.832 1.00 0.56 H new ATOM 0 HB3 LYS A 114 9.803 -6.963 12.999 1.00 0.56 H new ATOM 0 HG2 LYS A 114 9.480 -4.395 14.093 1.00 1.16 H new ATOM 0 HG3 LYS A 114 7.904 -4.726 13.401 1.00 1.16 H new ATOM 0 HD2 LYS A 114 8.630 -7.172 14.616 1.00 1.45 H new ATOM 0 HD3 LYS A 114 9.205 -5.962 15.745 1.00 1.45 H new ATOM 0 HE2 LYS A 114 6.367 -6.356 14.709 1.00 2.11 H new ATOM 0 HE3 LYS A 114 6.916 -6.367 16.373 1.00 2.11 H new ATOM 0 HZ1 LYS A 114 6.132 -4.246 16.254 1.00 2.54 H new ATOM 0 HZ2 LYS A 114 7.709 -3.938 15.704 1.00 2.54 H new ATOM 0 HZ3 LYS A 114 6.435 -4.088 14.591 1.00 2.54 H new ATOM 1900 N VAL A 115 12.672 -6.503 11.682 1.00 0.50 N ATOM 1901 CA VAL A 115 13.530 -7.398 10.865 1.00 0.50 C ATOM 1902 C VAL A 115 13.700 -8.743 11.566 1.00 0.49 C ATOM 1903 O VAL A 115 14.083 -8.817 12.716 1.00 0.59 O ATOM 1904 CB VAL A 115 14.893 -6.744 10.663 1.00 0.53 C ATOM 1905 CG1 VAL A 115 15.882 -7.776 10.121 1.00 0.72 C ATOM 1906 CG2 VAL A 115 14.747 -5.599 9.663 1.00 0.80 C ATOM 0 H VAL A 115 13.055 -6.236 12.589 1.00 0.50 H new ATOM 0 HA VAL A 115 13.058 -7.564 9.896 1.00 0.50 H new ATOM 0 HB VAL A 115 15.264 -6.360 11.613 1.00 0.53 H new ATOM 0 HG11 VAL A 115 16.855 -7.307 9.977 1.00 0.72 H new ATOM 0 HG12 VAL A 115 15.976 -8.597 10.831 1.00 0.72 H new ATOM 0 HG13 VAL A 115 15.520 -8.161 9.167 1.00 0.72 H new ATOM 0 HG21 VAL A 115 15.716 -5.123 9.510 1.00 0.80 H new ATOM 0 HG22 VAL A 115 14.381 -5.990 8.714 1.00 0.80 H new ATOM 0 HG23 VAL A 115 14.040 -4.866 10.050 1.00 0.80 H new ATOM 1916 N LEU A 116 13.424 -9.810 10.874 1.00 0.45 N ATOM 1917 CA LEU A 116 13.575 -11.154 11.485 1.00 0.45 C ATOM 1918 C LEU A 116 14.762 -11.857 10.832 1.00 0.45 C ATOM 1919 O LEU A 116 14.864 -11.927 9.624 1.00 0.58 O ATOM 1920 CB LEU A 116 12.302 -11.971 11.249 1.00 0.52 C ATOM 1921 CG LEU A 116 11.851 -12.609 12.563 1.00 0.76 C ATOM 1922 CD1 LEU A 116 10.349 -12.388 12.749 1.00 1.22 C ATOM 1923 CD2 LEU A 116 12.146 -14.110 12.527 1.00 1.21 C ATOM 0 H LEU A 116 13.099 -9.808 9.907 1.00 0.45 H new ATOM 0 HA LEU A 116 13.743 -11.058 12.558 1.00 0.45 H new ATOM 0 HB2 LEU A 116 11.514 -11.329 10.855 1.00 0.52 H new ATOM 0 HB3 LEU A 116 12.487 -12.744 10.503 1.00 0.52 H new ATOM 0 HG LEU A 116 12.390 -12.152 13.393 1.00 0.76 H new ATOM 0 HD11 LEU A 116 10.028 -12.843 13.686 1.00 1.22 H new ATOM 0 HD12 LEU A 116 10.139 -11.319 12.774 1.00 1.22 H new ATOM 0 HD13 LEU A 116 9.809 -12.845 11.920 1.00 1.22 H new ATOM 0 HD21 LEU A 116 11.825 -14.566 13.463 1.00 1.21 H new ATOM 0 HD22 LEU A 116 11.607 -14.567 11.697 1.00 1.21 H new ATOM 0 HD23 LEU A 116 13.216 -14.267 12.395 1.00 1.21 H new ATOM 1935 N LEU A 117 15.660 -12.380 11.615 1.00 0.39 N ATOM 1936 CA LEU A 117 16.836 -13.076 11.026 1.00 0.42 C ATOM 1937 C LEU A 117 16.585 -14.556 11.044 1.00 0.27 C ATOM 1938 O LEU A 117 16.070 -15.101 12.000 1.00 0.43 O ATOM 1939 CB LEU A 117 18.078 -12.831 11.878 1.00 0.69 C ATOM 1940 CG LEU A 117 19.367 -13.105 11.088 1.00 0.59 C ATOM 1941 CD1 LEU A 117 19.479 -14.592 10.734 1.00 1.25 C ATOM 1942 CD2 LEU A 117 19.400 -12.268 9.808 1.00 1.28 C ATOM 0 H LEU A 117 15.632 -12.356 12.634 1.00 0.39 H new ATOM 0 HA LEU A 117 16.986 -12.701 10.014 1.00 0.42 H new ATOM 0 HB2 LEU A 117 18.080 -11.800 12.232 1.00 0.69 H new ATOM 0 HB3 LEU A 117 18.048 -13.471 12.760 1.00 0.69 H new ATOM 0 HG LEU A 117 20.213 -12.827 11.717 1.00 0.59 H new ATOM 0 HD11 LEU A 117 20.399 -14.765 10.175 1.00 1.25 H new ATOM 0 HD12 LEU A 117 19.494 -15.184 11.649 1.00 1.25 H new ATOM 0 HD13 LEU A 117 18.624 -14.887 10.126 1.00 1.25 H new ATOM 0 HD21 LEU A 117 20.320 -12.475 9.261 1.00 1.28 H new ATOM 0 HD22 LEU A 117 18.543 -12.522 9.185 1.00 1.28 H new ATOM 0 HD23 LEU A 117 19.361 -11.209 10.064 1.00 1.28 H new ATOM 1954 N GLY A 118 17.000 -15.230 10.034 1.00 0.32 N ATOM 1955 CA GLY A 118 16.840 -16.675 10.057 1.00 0.31 C ATOM 1956 C GLY A 118 18.173 -17.293 9.689 1.00 0.29 C ATOM 1957 O GLY A 118 18.615 -17.242 8.559 1.00 0.39 O ATOM 0 H GLY A 118 17.440 -14.842 9.200 1.00 0.32 H new ATOM 0 HA2 GLY A 118 16.524 -17.009 11.045 1.00 0.31 H new ATOM 0 HA3 GLY A 118 16.068 -16.985 9.353 1.00 0.31 H new ATOM 1961 N LEU A 119 18.797 -17.899 10.641 1.00 0.25 N ATOM 1962 CA LEU A 119 20.085 -18.560 10.387 1.00 0.26 C ATOM 1963 C LEU A 119 19.741 -19.949 9.942 1.00 0.26 C ATOM 1964 O LEU A 119 19.129 -20.690 10.662 1.00 0.28 O ATOM 1965 CB LEU A 119 20.893 -18.612 11.681 1.00 0.29 C ATOM 1966 CG LEU A 119 21.471 -20.026 11.904 1.00 0.34 C ATOM 1967 CD1 LEU A 119 22.329 -20.460 10.719 1.00 0.54 C ATOM 1968 CD2 LEU A 119 22.330 -20.014 13.163 1.00 0.56 C ATOM 0 H LEU A 119 18.462 -17.965 11.602 1.00 0.25 H new ATOM 0 HA LEU A 119 20.679 -18.033 9.641 1.00 0.26 H new ATOM 0 HB2 LEU A 119 21.703 -17.884 11.640 1.00 0.29 H new ATOM 0 HB3 LEU A 119 20.259 -18.335 12.523 1.00 0.29 H new ATOM 0 HG LEU A 119 20.645 -20.729 12.008 1.00 0.34 H new ATOM 0 HD11 LEU A 119 22.724 -21.459 10.902 1.00 0.54 H new ATOM 0 HD12 LEU A 119 21.721 -20.470 9.814 1.00 0.54 H new ATOM 0 HD13 LEU A 119 23.156 -19.761 10.593 1.00 0.54 H new ATOM 0 HD21 LEU A 119 22.744 -21.008 13.331 1.00 0.56 H new ATOM 0 HD22 LEU A 119 23.143 -19.298 13.042 1.00 0.56 H new ATOM 0 HD23 LEU A 119 21.718 -19.727 14.018 1.00 0.56 H new ATOM 1980 N ALA A 120 20.088 -20.319 8.769 1.00 0.29 N ATOM 1981 CA ALA A 120 19.714 -21.673 8.348 1.00 0.28 C ATOM 1982 C ALA A 120 20.934 -22.551 8.379 1.00 0.27 C ATOM 1983 O ALA A 120 21.976 -22.213 7.852 1.00 0.28 O ATOM 1984 CB ALA A 120 19.129 -21.637 6.949 1.00 0.27 C ATOM 0 H ALA A 120 20.605 -19.759 8.090 1.00 0.29 H new ATOM 0 HA ALA A 120 18.962 -22.074 9.027 1.00 0.28 H new ATOM 0 HB1 ALA A 120 18.854 -22.647 6.644 1.00 0.27 H new ATOM 0 HB2 ALA A 120 18.244 -21.001 6.941 1.00 0.27 H new ATOM 0 HB3 ALA A 120 19.869 -21.237 6.255 1.00 0.27 H new ATOM 1990 N ARG A 121 20.813 -23.688 8.971 1.00 0.27 N ATOM 1991 CA ARG A 121 21.975 -24.585 9.001 1.00 0.28 C ATOM 1992 C ARG A 121 21.797 -25.553 7.837 1.00 0.26 C ATOM 1993 O ARG A 121 20.943 -26.404 7.846 1.00 0.25 O ATOM 1994 CB ARG A 121 22.015 -25.329 10.344 1.00 0.32 C ATOM 1995 CG ARG A 121 20.612 -25.383 10.965 1.00 0.38 C ATOM 1996 CD ARG A 121 20.555 -26.513 11.998 1.00 0.57 C ATOM 1997 NE ARG A 121 20.171 -27.785 11.322 1.00 1.07 N ATOM 1998 CZ ARG A 121 19.751 -28.799 12.029 1.00 1.34 C ATOM 1999 NH1 ARG A 121 20.264 -29.031 13.206 1.00 1.82 N ATOM 2000 NH2 ARG A 121 18.820 -29.582 11.557 1.00 1.88 N ATOM 0 H ARG A 121 19.970 -24.033 9.431 1.00 0.27 H new ATOM 0 HA ARG A 121 22.916 -24.043 8.905 1.00 0.28 H new ATOM 0 HB2 ARG A 121 22.394 -26.340 10.196 1.00 0.32 H new ATOM 0 HB3 ARG A 121 22.703 -24.827 11.025 1.00 0.32 H new ATOM 0 HG2 ARG A 121 20.375 -24.430 11.439 1.00 0.38 H new ATOM 0 HG3 ARG A 121 19.865 -25.547 10.189 1.00 0.38 H new ATOM 0 HD2 ARG A 121 21.524 -26.625 12.484 1.00 0.57 H new ATOM 0 HD3 ARG A 121 19.833 -26.271 12.778 1.00 0.57 H new ATOM 0 HE ARG A 121 20.236 -27.863 10.307 1.00 1.07 H new ATOM 0 HH11 ARG A 121 20.993 -28.420 13.574 1.00 1.82 H new ATOM 0 HH12 ARG A 121 19.936 -29.823 13.758 1.00 1.82 H new ATOM 0 HH21 ARG A 121 18.421 -29.402 10.636 1.00 1.88 H new ATOM 0 HH22 ARG A 121 18.492 -30.374 12.109 1.00 1.88 H new ATOM 2014 N GLY A 122 22.587 -25.425 6.816 1.00 0.27 N ATOM 2015 CA GLY A 122 22.404 -26.337 5.648 1.00 0.29 C ATOM 2016 C GLY A 122 22.836 -27.753 6.029 1.00 1.05 C ATOM 2017 O GLY A 122 22.406 -28.724 5.439 1.00 1.30 O ATOM 0 H GLY A 122 23.341 -24.743 6.733 1.00 0.27 H new ATOM 0 HA2 GLY A 122 21.360 -26.337 5.334 1.00 0.29 H new ATOM 0 HA3 GLY A 122 22.992 -25.982 4.801 1.00 0.29 H new