USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -14.1! C(o=-14!,f=-17!) USER MOD Set 1.2: A 83 TYR OH : rot 0:sc= -0.041 USER MOD Single : A 10 SER OG : rot -28:sc= 0.172 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 150:sc= -0.244 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= 0.0323 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0274) USER MOD Single : A 37 GLN :FLIP amide:sc= -3.61! C(o=-4.2!,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.273 (180deg=-1.25!) USER MOD Single : A 42 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.7!) USER MOD Single : A 48 SER OG : rot -22:sc= 0.188 USER MOD Single : A 54 GLN : amide:sc= -0.0388 K(o=-0.039,f=-0.95) USER MOD Single : A 55 GLN : amide:sc= -0.0762 K(o=-0.076,f=-1.9!) USER MOD Single : A 58 ASN : amide:sc=-0.00924 X(o=-0.0092,f=-0.31) USER MOD Single : A 60 ASN : amide:sc= -0.9 K(o=-0.9,f=-4.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 128:sc= -0.848 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.356 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0.629 (180deg=0.629) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= 0.384 (180deg=0.0589) USER MOD Single : A 100 ASN : amide:sc=-0.000625 K(o=-0.00062,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 10.064 4.133 6.281 1.00 0.00 N ATOM 100 CA SER A 10 10.058 3.124 7.334 1.00 0.00 C ATOM 101 C SER A 10 9.244 3.597 8.535 1.00 0.00 C ATOM 102 O SER A 10 8.461 2.838 9.105 1.00 0.00 O ATOM 103 CB SER A 10 11.489 2.801 7.769 1.00 0.00 C ATOM 104 OG SER A 10 12.215 3.984 8.053 1.00 0.00 O ATOM 0 HA SER A 10 9.595 2.221 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.469 2.162 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.994 2.241 6.982 1.00 0.00 H new ATOM 0 HG SER A 10 11.861 4.722 7.515 1.00 0.00 H new ATOM 110 N GLN A 11 9.436 4.857 8.913 1.00 0.00 N ATOM 111 CA GLN A 11 8.721 5.432 10.046 1.00 0.00 C ATOM 112 C GLN A 11 7.213 5.284 9.869 1.00 0.00 C ATOM 113 O GLN A 11 6.461 5.281 10.844 1.00 0.00 O ATOM 114 CB GLN A 11 9.085 6.908 10.210 1.00 0.00 C ATOM 115 CG GLN A 11 10.361 7.135 11.005 1.00 0.00 C ATOM 116 CD GLN A 11 10.479 8.554 11.527 1.00 0.00 C ATOM 117 OE1 GLN A 11 10.885 9.462 10.801 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.123 8.752 12.791 1.00 0.00 N ATOM 0 H GLN A 11 10.081 5.499 8.451 1.00 0.00 H new ATOM 0 HA GLN A 11 9.018 4.890 10.944 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.196 7.358 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.262 7.424 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.390 6.440 11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.222 6.911 10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.792 7.970 13.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.180 9.686 13.197 1.00 0.00 H new ATOM 127 N ARG A 12 6.778 5.163 8.619 1.00 0.00 N ATOM 128 CA ARG A 12 5.359 5.017 8.315 1.00 0.00 C ATOM 129 C ARG A 12 4.904 3.577 8.525 1.00 0.00 C ATOM 130 O ARG A 12 5.682 2.630 8.407 1.00 0.00 O ATOM 131 CB ARG A 12 5.078 5.447 6.874 1.00 0.00 C ATOM 132 CG ARG A 12 5.697 6.786 6.506 1.00 0.00 C ATOM 133 CD ARG A 12 5.113 7.917 7.337 1.00 0.00 C ATOM 134 NE ARG A 12 3.692 8.118 7.065 1.00 0.00 N ATOM 135 CZ ARG A 12 2.857 8.707 7.915 1.00 0.00 C ATOM 136 NH1 ARG A 12 3.299 9.151 9.083 1.00 0.00 N ATOM 137 NH2 ARG A 12 1.578 8.853 7.596 1.00 0.00 N ATOM 0 H ARG A 12 7.387 5.163 7.801 1.00 0.00 H new ATOM 0 HA ARG A 12 4.799 5.660 8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.456 4.683 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.000 5.501 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.776 6.743 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.530 6.987 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.252 7.698 8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.656 8.839 7.128 1.00 0.00 H new ATOM 0 HE ARG A 12 3.320 7.788 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.282 9.041 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.656 9.603 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.234 8.513 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.938 9.305 8.249 1.00 0.00 H new ATOM 151 N PRO A 13 3.613 3.405 8.846 1.00 0.00 N ATOM 152 CA PRO A 13 3.024 2.083 9.079 1.00 0.00 C ATOM 153 C PRO A 13 2.917 1.261 7.799 1.00 0.00 C ATOM 154 O PRO A 13 2.492 1.766 6.760 1.00 0.00 O ATOM 155 CB PRO A 13 1.631 2.406 9.625 1.00 0.00 C ATOM 156 CG PRO A 13 1.316 3.757 9.083 1.00 0.00 C ATOM 157 CD PRO A 13 2.628 4.488 9.004 1.00 0.00 C ATOM 0 HA PRO A 13 3.632 1.480 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.897 1.668 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.623 2.405 10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.850 3.684 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.614 4.283 9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.653 5.180 8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.816 5.074 9.903 1.00 0.00 H new ATOM 165 N TYR A 14 3.305 -0.007 7.881 1.00 0.00 N ATOM 166 CA TYR A 14 3.254 -0.898 6.728 1.00 0.00 C ATOM 167 C TYR A 14 1.964 -0.696 5.940 1.00 0.00 C ATOM 168 O TYR A 14 1.992 -0.328 4.765 1.00 0.00 O ATOM 169 CB TYR A 14 3.368 -2.355 7.178 1.00 0.00 C ATOM 170 CG TYR A 14 3.811 -3.295 6.080 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.921 -3.004 5.296 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.121 -4.474 5.826 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.330 -3.859 4.291 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.523 -5.336 4.825 1.00 0.00 C ATOM 175 CZ TYR A 14 4.628 -5.024 4.060 1.00 0.00 C ATOM 176 OH TYR A 14 5.031 -5.880 3.060 1.00 0.00 O ATOM 0 H TYR A 14 3.658 -0.441 8.734 1.00 0.00 H new ATOM 0 HA TYR A 14 4.096 -0.659 6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.075 -2.417 8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.402 -2.685 7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.473 -2.094 5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.255 -4.721 6.422 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.194 -3.617 3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.976 -6.249 4.642 1.00 0.00 H new ATOM 0 HH TYR A 14 4.794 -6.800 3.302 1.00 0.00 H new ATOM 186 N ARG A 15 0.834 -0.939 6.596 1.00 0.00 N ATOM 187 CA ARG A 15 -0.468 -0.785 5.957 1.00 0.00 C ATOM 188 C ARG A 15 -0.445 0.356 4.944 1.00 0.00 C ATOM 189 O ARG A 15 -0.568 0.132 3.740 1.00 0.00 O ATOM 190 CB ARG A 15 -1.548 -0.525 7.009 1.00 0.00 C ATOM 191 CG ARG A 15 -2.790 0.151 6.453 1.00 0.00 C ATOM 192 CD ARG A 15 -3.916 0.175 7.475 1.00 0.00 C ATOM 193 NE ARG A 15 -3.875 1.376 8.305 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.614 1.540 9.396 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.447 0.585 9.787 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.521 2.662 10.100 1.00 0.00 N ATOM 0 H ARG A 15 0.793 -1.243 7.569 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.698 -1.711 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.834 -1.473 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.130 0.097 7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.547 1.171 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.121 -0.374 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.875 0.123 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.848 -0.708 8.111 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.244 2.130 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.521 -0.279 9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.013 0.714 10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.881 3.399 9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.089 2.787 10.938 1.00 0.00 H new ATOM 210 N ASP A 16 -0.288 1.578 5.441 1.00 0.00 N ATOM 211 CA ASP A 16 -0.248 2.754 4.579 1.00 0.00 C ATOM 212 C ASP A 16 0.619 2.498 3.350 1.00 0.00 C ATOM 213 O ASP A 16 0.156 2.620 2.216 1.00 0.00 O ATOM 214 CB ASP A 16 0.284 3.961 5.352 1.00 0.00 C ATOM 215 CG ASP A 16 -0.819 4.743 6.037 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.650 5.345 5.325 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.852 4.751 7.285 1.00 0.00 O ATOM 0 H ASP A 16 -0.186 1.780 6.436 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.264 2.965 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.003 3.622 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.821 4.619 4.668 1.00 0.00 H new ATOM 222 N ARG A 17 1.878 2.144 3.584 1.00 0.00 N ATOM 223 CA ARG A 17 2.810 1.874 2.496 1.00 0.00 C ATOM 224 C ARG A 17 2.197 0.914 1.481 1.00 0.00 C ATOM 225 O ARG A 17 2.413 1.046 0.276 1.00 0.00 O ATOM 226 CB ARG A 17 4.113 1.289 3.045 1.00 0.00 C ATOM 227 CG ARG A 17 4.811 2.193 4.048 1.00 0.00 C ATOM 228 CD ARG A 17 5.924 1.459 4.779 1.00 0.00 C ATOM 229 NE ARG A 17 6.955 0.976 3.864 1.00 0.00 N ATOM 230 CZ ARG A 17 8.089 0.414 4.265 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.337 0.264 5.559 1.00 0.00 N ATOM 232 NH2 ARG A 17 8.978 -0.001 3.371 1.00 0.00 N ATOM 0 H ARG A 17 2.276 2.037 4.517 1.00 0.00 H new ATOM 0 HA ARG A 17 3.026 2.817 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.900 0.331 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.791 1.090 2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.223 3.060 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.085 2.567 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.375 2.125 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.503 0.617 5.328 1.00 0.00 H new ATOM 0 HE ARG A 17 6.795 1.076 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.656 0.581 6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.209 -0.168 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.790 0.112 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.849 -0.433 3.680 1.00 0.00 H new ATOM 246 N VAL A 18 1.432 -0.054 1.976 1.00 0.00 N ATOM 247 CA VAL A 18 0.787 -1.036 1.113 1.00 0.00 C ATOM 248 C VAL A 18 -0.339 -0.402 0.305 1.00 0.00 C ATOM 249 O VAL A 18 -0.266 -0.317 -0.921 1.00 0.00 O ATOM 250 CB VAL A 18 0.220 -2.213 1.928 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.558 -3.161 1.028 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.339 -2.949 2.650 1.00 0.00 C ATOM 0 H VAL A 18 1.244 -0.179 2.971 1.00 0.00 H new ATOM 0 HA VAL A 18 1.552 -1.410 0.433 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.466 -1.816 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.951 -3.986 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.384 -2.624 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.103 -3.553 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.920 -3.778 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.051 -3.334 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.848 -2.263 3.327 1.00 0.00 H new ATOM 262 N ILE A 19 -1.381 0.042 1.000 1.00 0.00 N ATOM 263 CA ILE A 19 -2.523 0.670 0.347 1.00 0.00 C ATOM 264 C ILE A 19 -2.071 1.736 -0.645 1.00 0.00 C ATOM 265 O ILE A 19 -2.583 1.816 -1.762 1.00 0.00 O ATOM 266 CB ILE A 19 -3.476 1.311 1.373 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.720 2.315 2.246 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.127 0.238 2.233 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.597 3.010 3.264 1.00 0.00 C ATOM 0 H ILE A 19 -1.458 -0.022 2.015 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.054 -0.118 -0.187 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.260 1.844 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.914 1.798 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.256 3.065 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.798 0.706 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.694 -0.443 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.356 -0.320 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.995 3.707 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.388 3.556 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.040 2.269 3.929 1.00 0.00 H new ATOM 281 N HIS A 20 -1.107 2.551 -0.231 1.00 0.00 N ATOM 282 CA HIS A 20 -0.583 3.612 -1.084 1.00 0.00 C ATOM 283 C HIS A 20 -0.142 3.054 -2.434 1.00 0.00 C ATOM 284 O HIS A 20 -0.149 3.762 -3.442 1.00 0.00 O ATOM 285 CB HIS A 20 0.591 4.313 -0.401 1.00 0.00 C ATOM 286 CG HIS A 20 0.174 5.414 0.526 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.255 5.313 1.899 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.328 6.644 0.269 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.181 6.434 2.446 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.541 7.258 1.479 1.00 0.00 N ATOM 0 H HIS A 20 -0.672 2.497 0.690 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.380 4.336 -1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.167 3.577 0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.253 4.723 -1.164 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.598 4.501 2.412 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.525 7.065 -0.706 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.234 6.641 3.505 1.00 0.00 H new ATOM 298 N LEU A 21 0.243 1.783 -2.447 1.00 0.00 N ATOM 299 CA LEU A 21 0.689 1.130 -3.673 1.00 0.00 C ATOM 300 C LEU A 21 -0.489 0.517 -4.423 1.00 0.00 C ATOM 301 O LEU A 21 -0.632 0.700 -5.632 1.00 0.00 O ATOM 302 CB LEU A 21 1.722 0.049 -3.352 1.00 0.00 C ATOM 303 CG LEU A 21 3.118 0.546 -2.972 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.008 -0.620 -2.569 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.740 1.320 -4.125 1.00 0.00 C ATOM 0 H LEU A 21 0.255 1.183 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 21 1.149 1.885 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.339 -0.559 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.815 -0.606 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 21 3.024 1.217 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.997 -0.248 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.570 -1.133 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.096 -1.316 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.733 1.666 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.821 0.671 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.113 2.178 -4.368 1.00 0.00 H new ATOM 317 N LEU A 22 -1.333 -0.208 -3.697 1.00 0.00 N ATOM 318 CA LEU A 22 -2.501 -0.847 -4.293 1.00 0.00 C ATOM 319 C LEU A 22 -3.476 0.195 -4.831 1.00 0.00 C ATOM 320 O LEU A 22 -4.293 -0.097 -5.704 1.00 0.00 O ATOM 321 CB LEU A 22 -3.203 -1.734 -3.263 1.00 0.00 C ATOM 322 CG LEU A 22 -2.469 -3.018 -2.872 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.022 -3.573 -1.569 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.576 -4.052 -3.983 1.00 0.00 C ATOM 0 H LEU A 22 -1.230 -0.368 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.162 -1.465 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.371 -1.146 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.184 -2.004 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.415 -2.781 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.488 -4.486 -1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.893 -2.837 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.082 -3.795 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.048 -4.959 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.625 -4.285 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.131 -3.654 -4.895 1.00 0.00 H new ATOM 336 N ALA A 23 -3.383 1.412 -4.305 1.00 0.00 N ATOM 337 CA ALA A 23 -4.254 2.499 -4.735 1.00 0.00 C ATOM 338 C ALA A 23 -4.191 2.687 -6.247 1.00 0.00 C ATOM 339 O ALA A 23 -5.153 2.398 -6.960 1.00 0.00 O ATOM 340 CB ALA A 23 -3.877 3.790 -4.025 1.00 0.00 C ATOM 0 H ALA A 23 -2.713 1.670 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.278 2.237 -4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.536 4.593 -4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.980 3.657 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.844 4.047 -4.261 1.00 0.00 H new ATOM 346 N LEU A 24 -3.053 3.174 -6.731 1.00 0.00 N ATOM 347 CA LEU A 24 -2.864 3.401 -8.160 1.00 0.00 C ATOM 348 C LEU A 24 -3.402 2.229 -8.974 1.00 0.00 C ATOM 349 O LEU A 24 -4.112 2.419 -9.962 1.00 0.00 O ATOM 350 CB LEU A 24 -1.382 3.615 -8.470 1.00 0.00 C ATOM 351 CG LEU A 24 -0.752 4.886 -7.899 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.755 4.870 -8.098 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.365 6.121 -8.543 1.00 0.00 C ATOM 0 H LEU A 24 -2.248 3.419 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.420 4.297 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.825 2.757 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.256 3.626 -9.553 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.956 4.921 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.186 5.782 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.180 4.005 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.981 4.811 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.905 7.016 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.193 6.094 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.437 6.139 -8.347 1.00 0.00 H new ATOM 365 N LYS A 25 -3.062 1.016 -8.551 1.00 0.00 N ATOM 366 CA LYS A 25 -3.514 -0.189 -9.237 1.00 0.00 C ATOM 367 C LYS A 25 -3.384 -1.411 -8.334 1.00 0.00 C ATOM 368 O LYS A 25 -2.780 -1.342 -7.264 1.00 0.00 O ATOM 369 CB LYS A 25 -2.707 -0.402 -10.520 1.00 0.00 C ATOM 370 CG LYS A 25 -1.316 -0.963 -10.278 1.00 0.00 C ATOM 371 CD LYS A 25 -0.690 -1.475 -11.564 1.00 0.00 C ATOM 372 CE LYS A 25 0.439 -2.454 -11.282 1.00 0.00 C ATOM 373 NZ LYS A 25 1.296 -2.672 -12.481 1.00 0.00 N ATOM 0 H LYS A 25 -2.474 0.841 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.566 -0.059 -9.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.254 -1.080 -11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.620 0.548 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.681 -0.190 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.371 -1.773 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.452 -1.962 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.308 -0.635 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.050 -2.077 -10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.021 -3.406 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.054 -3.345 -12.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.718 -3.056 -13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.715 -1.768 -12.777 1.00 0.00 H new ATOM 387 N ALA A 26 -3.955 -2.528 -8.772 1.00 0.00 N ATOM 388 CA ALA A 26 -3.899 -3.766 -8.004 1.00 0.00 C ATOM 389 C ALA A 26 -2.518 -4.405 -8.092 1.00 0.00 C ATOM 390 O ALA A 26 -1.867 -4.360 -9.136 1.00 0.00 O ATOM 391 CB ALA A 26 -4.965 -4.737 -8.491 1.00 0.00 C ATOM 0 H ALA A 26 -4.462 -2.601 -9.654 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.092 -3.525 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.912 -5.657 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.950 -4.287 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.797 -4.963 -9.544 1.00 0.00 H new ATOM 397 N TYR A 27 -2.075 -5.000 -6.990 1.00 0.00 N ATOM 398 CA TYR A 27 -0.769 -5.646 -6.942 1.00 0.00 C ATOM 399 C TYR A 27 -0.880 -7.057 -6.372 1.00 0.00 C ATOM 400 O TYR A 27 -1.804 -7.365 -5.620 1.00 0.00 O ATOM 401 CB TYR A 27 0.202 -4.818 -6.098 1.00 0.00 C ATOM 402 CG TYR A 27 0.965 -3.783 -6.894 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.359 -2.597 -7.290 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.292 -3.991 -7.249 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.051 -1.649 -8.018 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.993 -3.048 -7.976 1.00 0.00 C ATOM 407 CZ TYR A 27 2.368 -1.879 -8.358 1.00 0.00 C ATOM 408 OH TYR A 27 3.062 -0.937 -9.082 1.00 0.00 O ATOM 0 H TYR A 27 -2.601 -5.048 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.388 -5.714 -7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.354 -4.317 -5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.912 -5.488 -5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.671 -2.413 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.784 -4.905 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.564 -0.733 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.024 -3.225 -8.244 1.00 0.00 H new ATOM 0 HH TYR A 27 3.977 -1.252 -9.237 1.00 0.00 H new ATOM 418 N LYS A 28 0.071 -7.911 -6.736 1.00 0.00 N ATOM 419 CA LYS A 28 0.084 -9.290 -6.261 1.00 0.00 C ATOM 420 C LYS A 28 0.909 -9.418 -4.984 1.00 0.00 C ATOM 421 O LYS A 28 1.889 -8.698 -4.791 1.00 0.00 O ATOM 422 CB LYS A 28 0.648 -10.217 -7.340 1.00 0.00 C ATOM 423 CG LYS A 28 -0.093 -10.132 -8.663 1.00 0.00 C ATOM 424 CD LYS A 28 0.510 -9.076 -9.574 1.00 0.00 C ATOM 425 CE LYS A 28 -0.144 -9.083 -10.947 1.00 0.00 C ATOM 426 NZ LYS A 28 0.387 -8.000 -11.820 1.00 0.00 N ATOM 0 H LYS A 28 0.843 -7.672 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.943 -9.582 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.697 -9.973 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.613 -11.245 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.064 -11.102 -9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.142 -9.899 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.393 -8.092 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.580 -9.253 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.023 -10.049 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.222 -8.965 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.175 -8.220 -12.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.059 -7.097 -11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.417 -7.926 -11.694 1.00 0.00 H new ATOM 440 N LYS A 29 0.507 -10.340 -4.116 1.00 0.00 N ATOM 441 CA LYS A 29 1.210 -10.565 -2.859 1.00 0.00 C ATOM 442 C LYS A 29 2.714 -10.381 -3.036 1.00 0.00 C ATOM 443 O LYS A 29 3.356 -9.601 -2.332 1.00 0.00 O ATOM 444 CB LYS A 29 0.916 -11.971 -2.331 1.00 0.00 C ATOM 445 CG LYS A 29 1.941 -12.471 -1.328 1.00 0.00 C ATOM 446 CD LYS A 29 1.620 -12.000 0.081 1.00 0.00 C ATOM 447 CE LYS A 29 2.884 -11.776 0.896 1.00 0.00 C ATOM 448 NZ LYS A 29 3.681 -13.026 1.037 1.00 0.00 N ATOM 0 H LYS A 29 -0.302 -10.944 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 29 0.855 -9.830 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.069 -11.976 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.874 -12.664 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.971 -13.560 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.932 -12.119 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.047 -11.074 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.992 -12.739 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.493 -11.009 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.617 -11.402 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.499 -12.849 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.087 -13.771 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.015 -13.333 0.101 1.00 0.00 H new ATOM 462 N PRO A 30 3.291 -11.115 -3.999 1.00 0.00 N ATOM 463 CA PRO A 30 4.726 -11.048 -4.292 1.00 0.00 C ATOM 464 C PRO A 30 5.127 -9.721 -4.926 1.00 0.00 C ATOM 465 O PRO A 30 6.069 -9.069 -4.478 1.00 0.00 O ATOM 466 CB PRO A 30 4.940 -12.199 -5.278 1.00 0.00 C ATOM 467 CG PRO A 30 3.613 -12.395 -5.926 1.00 0.00 C ATOM 468 CD PRO A 30 2.588 -12.065 -4.876 1.00 0.00 C ATOM 0 HA PRO A 30 5.331 -11.125 -3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.707 -11.953 -6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.268 -13.103 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.504 -11.747 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.497 -13.421 -6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.693 -11.622 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.270 -12.954 -4.332 1.00 0.00 H new ATOM 476 N GLU A 31 4.406 -9.328 -5.972 1.00 0.00 N ATOM 477 CA GLU A 31 4.689 -8.078 -6.667 1.00 0.00 C ATOM 478 C GLU A 31 4.693 -6.903 -5.694 1.00 0.00 C ATOM 479 O GLU A 31 5.733 -6.288 -5.449 1.00 0.00 O ATOM 480 CB GLU A 31 3.655 -7.837 -7.769 1.00 0.00 C ATOM 481 CG GLU A 31 4.112 -6.844 -8.825 1.00 0.00 C ATOM 482 CD GLU A 31 3.497 -7.115 -10.185 1.00 0.00 C ATOM 483 OE1 GLU A 31 3.386 -8.300 -10.561 1.00 0.00 O ATOM 484 OE2 GLU A 31 3.127 -6.140 -10.872 1.00 0.00 O ATOM 0 H GLU A 31 3.623 -9.857 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 31 5.679 -8.158 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.422 -8.786 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.732 -7.475 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.851 -5.835 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.198 -6.881 -8.908 1.00 0.00 H new ATOM 491 N LEU A 32 3.525 -6.595 -5.141 1.00 0.00 N ATOM 492 CA LEU A 32 3.393 -5.493 -4.194 1.00 0.00 C ATOM 493 C LEU A 32 4.650 -5.354 -3.342 1.00 0.00 C ATOM 494 O LEU A 32 5.145 -4.248 -3.122 1.00 0.00 O ATOM 495 CB LEU A 32 2.174 -5.711 -3.295 1.00 0.00 C ATOM 496 CG LEU A 32 1.479 -4.446 -2.789 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.472 -4.789 -1.703 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.503 -3.445 -2.274 1.00 0.00 C ATOM 0 H LEU A 32 2.656 -7.093 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 32 3.258 -4.572 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.445 -6.307 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.484 -6.301 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 32 0.943 -3.991 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.013 -3.877 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.279 -5.468 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.985 -5.268 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.991 -2.551 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.067 -3.891 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.185 -3.175 -3.080 1.00 0.00 H new ATOM 510 N LEU A 33 5.163 -6.483 -2.865 1.00 0.00 N ATOM 511 CA LEU A 33 6.365 -6.488 -2.038 1.00 0.00 C ATOM 512 C LEU A 33 7.555 -5.920 -2.804 1.00 0.00 C ATOM 513 O LEU A 33 8.203 -4.976 -2.352 1.00 0.00 O ATOM 514 CB LEU A 33 6.678 -7.910 -1.567 1.00 0.00 C ATOM 515 CG LEU A 33 5.941 -8.379 -0.313 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.925 -9.898 -0.240 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.583 -7.790 0.935 1.00 0.00 C ATOM 0 H LEU A 33 4.766 -7.407 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 33 6.181 -5.856 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.447 -8.599 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.750 -7.983 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 33 4.911 -8.027 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.396 -10.213 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.419 -10.299 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.949 -10.272 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.045 -8.135 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.623 -8.111 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.541 -6.702 0.887 1.00 0.00 H new ATOM 529 N ALA A 34 7.836 -6.501 -3.966 1.00 0.00 N ATOM 530 CA ALA A 34 8.946 -6.049 -4.796 1.00 0.00 C ATOM 531 C ALA A 34 9.043 -4.528 -4.804 1.00 0.00 C ATOM 532 O ALA A 34 10.112 -3.965 -5.040 1.00 0.00 O ATOM 533 CB ALA A 34 8.792 -6.577 -6.215 1.00 0.00 C ATOM 0 H ALA A 34 7.311 -7.285 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 34 9.869 -6.443 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.627 -6.232 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.781 -7.667 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.857 -6.211 -6.640 1.00 0.00 H new ATOM 539 N ARG A 35 7.919 -3.866 -4.545 1.00 0.00 N ATOM 540 CA ARG A 35 7.878 -2.409 -4.524 1.00 0.00 C ATOM 541 C ARG A 35 8.293 -1.873 -3.156 1.00 0.00 C ATOM 542 O ARG A 35 9.071 -0.923 -3.060 1.00 0.00 O ATOM 543 CB ARG A 35 6.474 -1.913 -4.873 1.00 0.00 C ATOM 544 CG ARG A 35 6.254 -1.707 -6.363 1.00 0.00 C ATOM 545 CD ARG A 35 7.070 -0.537 -6.890 1.00 0.00 C ATOM 546 NE ARG A 35 6.540 -0.024 -8.150 1.00 0.00 N ATOM 547 CZ ARG A 35 6.829 1.180 -8.633 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.639 1.989 -7.965 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.307 1.575 -9.787 1.00 0.00 N ATOM 0 H ARG A 35 7.025 -4.316 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 35 8.583 -2.039 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.742 -2.630 -4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.291 -0.972 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.528 -2.615 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.196 -1.530 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.079 0.262 -6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.104 -0.851 -7.033 1.00 0.00 H new ATOM 0 HE ARG A 35 5.914 -0.622 -8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.042 1.688 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.859 2.912 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.684 0.955 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.529 2.499 -10.157 1.00 0.00 H new ATOM 563 N LEU A 36 7.770 -2.489 -2.102 1.00 0.00 N ATOM 564 CA LEU A 36 8.086 -2.074 -0.739 1.00 0.00 C ATOM 565 C LEU A 36 9.449 -2.607 -0.310 1.00 0.00 C ATOM 566 O LEU A 36 10.316 -1.846 0.118 1.00 0.00 O ATOM 567 CB LEU A 36 7.006 -2.563 0.227 1.00 0.00 C ATOM 568 CG LEU A 36 5.582 -2.087 -0.060 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.567 -3.082 0.480 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.349 -0.708 0.538 1.00 0.00 C ATOM 0 H LEU A 36 7.126 -3.277 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 36 8.119 -0.985 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.011 -3.653 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.277 -2.246 1.234 1.00 0.00 H new ATOM 0 HG LEU A 36 5.454 -2.019 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.559 -2.726 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.718 -4.051 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.695 -3.184 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.330 -0.386 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.497 -0.750 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.053 0.001 0.103 1.00 0.00 H new ATOM 582 N GLN A 37 9.630 -3.918 -0.429 1.00 0.00 N ATOM 583 CA GLN A 37 10.888 -4.552 -0.054 1.00 0.00 C ATOM 584 C GLN A 37 12.072 -3.651 -0.387 1.00 0.00 C ATOM 585 O GLN A 37 12.980 -3.474 0.425 1.00 0.00 O ATOM 586 CB GLN A 37 11.039 -5.897 -0.767 1.00 0.00 C ATOM 587 CG GLN A 37 10.200 -7.007 -0.155 1.00 0.00 C ATOM 588 CD GLN A 37 10.955 -7.797 0.896 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.877 -7.134 1.585 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 10.713 -8.989 1.087 1.00 0.00 N flip ATOM 0 H GLN A 37 8.922 -4.562 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 37 10.874 -4.720 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.760 -5.777 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.088 -6.193 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.305 -6.576 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.868 -7.683 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.996 -9.459 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.230 -9.507 1.798 1.00 0.00 H new ATOM 599 N LYS A 38 12.057 -3.082 -1.588 1.00 0.00 N ATOM 600 CA LYS A 38 13.129 -2.198 -2.030 1.00 0.00 C ATOM 601 C LYS A 38 13.548 -1.249 -0.912 1.00 0.00 C ATOM 602 O LYS A 38 14.709 -1.230 -0.503 1.00 0.00 O ATOM 603 CB LYS A 38 12.683 -1.395 -3.254 1.00 0.00 C ATOM 604 CG LYS A 38 11.803 -2.182 -4.210 1.00 0.00 C ATOM 605 CD LYS A 38 11.958 -1.693 -5.641 1.00 0.00 C ATOM 606 CE LYS A 38 13.145 -2.349 -6.329 1.00 0.00 C ATOM 607 NZ LYS A 38 14.397 -1.564 -6.144 1.00 0.00 N ATOM 0 H LYS A 38 11.313 -3.218 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 38 13.986 -2.815 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.141 -0.510 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.565 -1.045 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.061 -3.240 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.761 -2.092 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.048 -1.908 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.087 -0.611 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.285 -3.354 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.936 -2.453 -7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.033 -1.730 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.167 -0.551 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.867 -1.862 -5.265 1.00 0.00 H new ATOM 621 N ASP A 39 12.595 -0.465 -0.420 1.00 0.00 N ATOM 622 CA ASP A 39 12.865 0.485 0.654 1.00 0.00 C ATOM 623 C ASP A 39 13.181 -0.243 1.956 1.00 0.00 C ATOM 624 O ASP A 39 13.846 0.300 2.837 1.00 0.00 O ATOM 625 CB ASP A 39 11.668 1.416 0.853 1.00 0.00 C ATOM 626 CG ASP A 39 11.755 2.663 -0.005 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.655 3.492 0.244 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.923 2.810 -0.924 1.00 0.00 O ATOM 0 H ASP A 39 11.629 -0.468 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 39 13.734 1.079 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.750 0.878 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.606 1.704 1.902 1.00 0.00 H new ATOM 633 N GLY A 40 12.698 -1.477 2.072 1.00 0.00 N ATOM 634 CA GLY A 40 12.938 -2.259 3.270 1.00 0.00 C ATOM 635 C GLY A 40 11.656 -2.775 3.892 1.00 0.00 C ATOM 636 O GLY A 40 10.852 -2.000 4.410 1.00 0.00 O ATOM 0 H GLY A 40 12.145 -1.949 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.585 -3.102 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.471 -1.648 3.998 1.00 0.00 H new ATOM 640 N VAL A 41 11.463 -4.090 3.841 1.00 0.00 N ATOM 641 CA VAL A 41 10.269 -4.710 4.404 1.00 0.00 C ATOM 642 C VAL A 41 10.620 -5.606 5.586 1.00 0.00 C ATOM 643 O VAL A 41 11.428 -6.526 5.462 1.00 0.00 O ATOM 644 CB VAL A 41 9.518 -5.542 3.347 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.553 -6.508 4.016 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.786 -4.631 2.374 1.00 0.00 C ATOM 0 H VAL A 41 12.118 -4.746 3.416 1.00 0.00 H new ATOM 0 HA VAL A 41 9.623 -3.901 4.745 1.00 0.00 H new ATOM 0 HB VAL A 41 10.246 -6.126 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.031 -7.087 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.107 -7.183 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.828 -5.948 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.261 -5.235 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.067 -4.019 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.504 -3.984 1.870 1.00 0.00 H new ATOM 656 N ASN A 42 10.007 -5.331 6.732 1.00 0.00 N ATOM 657 CA ASN A 42 10.255 -6.113 7.938 1.00 0.00 C ATOM 658 C ASN A 42 9.783 -7.553 7.759 1.00 0.00 C ATOM 659 O ASN A 42 8.698 -7.799 7.233 1.00 0.00 O ATOM 660 CB ASN A 42 9.548 -5.478 9.137 1.00 0.00 C ATOM 661 CG ASN A 42 10.418 -4.460 9.848 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.634 -4.424 9.657 1.00 0.00 O ATOM 663 ND2 ASN A 42 9.797 -3.625 10.674 1.00 0.00 N ATOM 0 H ASN A 42 9.335 -4.573 6.851 1.00 0.00 H new ATOM 0 HA ASN A 42 11.329 -6.122 8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.630 -4.996 8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.259 -6.259 9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.330 -2.918 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.787 -3.691 10.802 1.00 0.00 H new ATOM 670 N GLN A 43 10.605 -8.499 8.202 1.00 0.00 N ATOM 671 CA GLN A 43 10.272 -9.914 8.090 1.00 0.00 C ATOM 672 C GLN A 43 8.951 -10.219 8.790 1.00 0.00 C ATOM 673 O GLN A 43 8.066 -10.856 8.219 1.00 0.00 O ATOM 674 CB GLN A 43 11.389 -10.772 8.687 1.00 0.00 C ATOM 675 CG GLN A 43 11.464 -12.170 8.096 1.00 0.00 C ATOM 676 CD GLN A 43 12.520 -13.030 8.763 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.218 -14.093 9.307 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.766 -12.574 8.724 1.00 0.00 N ATOM 0 H GLN A 43 11.506 -8.311 8.642 1.00 0.00 H new ATOM 0 HA GLN A 43 10.166 -10.154 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.344 -10.270 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.240 -10.849 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.492 -12.654 8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.679 -12.099 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.971 -11.688 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.519 -13.110 9.156 1.00 0.00 H new ATOM 687 N LYS A 44 8.825 -9.760 10.031 1.00 0.00 N ATOM 688 CA LYS A 44 7.613 -9.982 10.810 1.00 0.00 C ATOM 689 C LYS A 44 6.389 -9.444 10.076 1.00 0.00 C ATOM 690 O LYS A 44 5.268 -9.899 10.304 1.00 0.00 O ATOM 691 CB LYS A 44 7.734 -9.313 12.181 1.00 0.00 C ATOM 692 CG LYS A 44 8.405 -7.951 12.136 1.00 0.00 C ATOM 693 CD LYS A 44 8.215 -7.193 13.440 1.00 0.00 C ATOM 694 CE LYS A 44 8.376 -5.694 13.241 1.00 0.00 C ATOM 695 NZ LYS A 44 7.664 -4.916 14.292 1.00 0.00 N ATOM 0 H LYS A 44 9.548 -9.232 10.519 1.00 0.00 H new ATOM 0 HA LYS A 44 7.490 -11.056 10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.739 -9.204 12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.300 -9.966 12.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.470 -8.075 11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.993 -7.368 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.225 -7.403 13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.940 -7.544 14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.435 -5.438 13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.993 -5.415 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.798 -3.899 14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.649 -5.141 14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.047 -5.164 15.227 1.00 0.00 H new ATOM 709 N ASP A 45 6.611 -8.475 9.195 1.00 0.00 N ATOM 710 CA ASP A 45 5.526 -7.877 8.425 1.00 0.00 C ATOM 711 C ASP A 45 5.274 -8.662 7.142 1.00 0.00 C ATOM 712 O ASP A 45 4.132 -8.805 6.703 1.00 0.00 O ATOM 713 CB ASP A 45 5.851 -6.420 8.092 1.00 0.00 C ATOM 714 CG ASP A 45 5.454 -5.470 9.205 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.861 -5.936 10.199 1.00 0.00 O ATOM 716 OD2 ASP A 45 5.737 -4.260 9.080 1.00 0.00 O ATOM 0 H ASP A 45 7.533 -8.086 8.996 1.00 0.00 H new ATOM 0 HA ASP A 45 4.621 -7.909 9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.920 -6.324 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.335 -6.136 7.175 1.00 0.00 H new ATOM 721 N LYS A 46 6.347 -9.167 6.542 1.00 0.00 N ATOM 722 CA LYS A 46 6.243 -9.937 5.309 1.00 0.00 C ATOM 723 C LYS A 46 5.070 -10.910 5.371 1.00 0.00 C ATOM 724 O LYS A 46 4.417 -11.175 4.363 1.00 0.00 O ATOM 725 CB LYS A 46 7.542 -10.705 5.052 1.00 0.00 C ATOM 726 CG LYS A 46 8.595 -9.891 4.319 1.00 0.00 C ATOM 727 CD LYS A 46 9.611 -10.786 3.629 1.00 0.00 C ATOM 728 CE LYS A 46 10.554 -11.434 4.631 1.00 0.00 C ATOM 729 NZ LYS A 46 11.575 -12.286 3.961 1.00 0.00 N ATOM 0 H LYS A 46 7.299 -9.056 6.891 1.00 0.00 H new ATOM 0 HA LYS A 46 6.071 -9.240 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.952 -11.039 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.317 -11.599 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.112 -9.250 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.106 -9.236 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.091 -11.560 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.186 -10.200 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.053 -10.660 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.979 -12.039 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.198 -12.710 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.100 -13.041 3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.141 -11.704 3.311 1.00 0.00 H new ATOM 743 N ASN A 47 4.807 -11.437 6.563 1.00 0.00 N ATOM 744 CA ASN A 47 3.711 -12.380 6.756 1.00 0.00 C ATOM 745 C ASN A 47 2.386 -11.644 6.937 1.00 0.00 C ATOM 746 O ASN A 47 1.362 -12.042 6.382 1.00 0.00 O ATOM 747 CB ASN A 47 3.984 -13.269 7.971 1.00 0.00 C ATOM 748 CG ASN A 47 3.234 -14.585 7.904 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.542 -14.869 6.926 1.00 0.00 O ATOM 750 ND2 ASN A 47 3.368 -15.396 8.947 1.00 0.00 N ATOM 0 H ASN A 47 5.337 -11.227 7.409 1.00 0.00 H new ATOM 0 HA ASN A 47 3.641 -13.005 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.054 -13.467 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.699 -12.737 8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.887 -16.295 8.959 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.952 -15.120 9.736 1.00 0.00 H new ATOM 757 N SER A 48 2.415 -10.569 7.718 1.00 0.00 N ATOM 758 CA SER A 48 1.217 -9.779 7.976 1.00 0.00 C ATOM 759 C SER A 48 0.654 -9.206 6.678 1.00 0.00 C ATOM 760 O SER A 48 -0.561 -9.097 6.509 1.00 0.00 O ATOM 761 CB SER A 48 1.528 -8.644 8.954 1.00 0.00 C ATOM 762 OG SER A 48 2.452 -7.728 8.394 1.00 0.00 O ATOM 0 H SER A 48 3.255 -10.225 8.183 1.00 0.00 H new ATOM 0 HA SER A 48 0.468 -10.436 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.607 -8.123 9.216 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.934 -9.056 9.878 1.00 0.00 H new ATOM 0 HG SER A 48 2.961 -8.170 7.683 1.00 0.00 H new ATOM 768 N LEU A 49 1.546 -8.842 5.764 1.00 0.00 N ATOM 769 CA LEU A 49 1.141 -8.280 4.480 1.00 0.00 C ATOM 770 C LEU A 49 -0.087 -9.001 3.934 1.00 0.00 C ATOM 771 O LEU A 49 -1.118 -8.382 3.671 1.00 0.00 O ATOM 772 CB LEU A 49 2.290 -8.373 3.474 1.00 0.00 C ATOM 773 CG LEU A 49 2.266 -7.357 2.332 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.050 -7.878 1.138 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.833 -7.036 1.934 1.00 0.00 C ATOM 0 H LEU A 49 2.555 -8.926 5.888 1.00 0.00 H new ATOM 0 HA LEU A 49 0.886 -7.232 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.230 -8.260 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.289 -9.374 3.043 1.00 0.00 H new ATOM 0 HG LEU A 49 2.740 -6.438 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.022 -7.142 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.085 -8.056 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.606 -8.811 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.835 -6.311 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.333 -7.948 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.302 -6.619 2.790 1.00 0.00 H new ATOM 787 N GLY A 50 0.029 -10.315 3.767 1.00 0.00 N ATOM 788 CA GLY A 50 -1.080 -11.100 3.255 1.00 0.00 C ATOM 789 C GLY A 50 -2.387 -10.779 3.953 1.00 0.00 C ATOM 790 O GLY A 50 -3.442 -10.743 3.321 1.00 0.00 O ATOM 0 H GLY A 50 0.871 -10.850 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.188 -10.917 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.858 -12.160 3.376 1.00 0.00 H new ATOM 794 N ALA A 51 -2.317 -10.547 5.259 1.00 0.00 N ATOM 795 CA ALA A 51 -3.504 -10.228 6.043 1.00 0.00 C ATOM 796 C ALA A 51 -3.994 -8.815 5.747 1.00 0.00 C ATOM 797 O ALA A 51 -5.196 -8.578 5.620 1.00 0.00 O ATOM 798 CB ALA A 51 -3.215 -10.388 7.528 1.00 0.00 C ATOM 0 H ALA A 51 -1.451 -10.574 5.797 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.293 -10.925 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.110 -10.146 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.920 -11.417 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.407 -9.715 7.816 1.00 0.00 H new ATOM 804 N ILE A 52 -3.056 -7.879 5.638 1.00 0.00 N ATOM 805 CA ILE A 52 -3.394 -6.490 5.357 1.00 0.00 C ATOM 806 C ILE A 52 -4.056 -6.350 3.990 1.00 0.00 C ATOM 807 O ILE A 52 -5.083 -5.685 3.850 1.00 0.00 O ATOM 808 CB ILE A 52 -2.147 -5.587 5.405 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.496 -5.652 6.788 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.517 -4.153 5.055 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.075 -5.134 6.812 1.00 0.00 C ATOM 0 H ILE A 52 -2.057 -8.058 5.740 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.093 -6.173 6.131 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.428 -5.946 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.097 -5.074 7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.504 -6.685 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.625 -3.527 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.940 -4.121 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.251 -3.782 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.323 -5.210 7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.540 -5.727 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.062 -4.091 6.495 1.00 0.00 H new ATOM 823 N LEU A 53 -3.462 -6.984 2.984 1.00 0.00 N ATOM 824 CA LEU A 53 -3.995 -6.933 1.627 1.00 0.00 C ATOM 825 C LEU A 53 -5.494 -7.215 1.620 1.00 0.00 C ATOM 826 O LEU A 53 -6.232 -6.680 0.793 1.00 0.00 O ATOM 827 CB LEU A 53 -3.271 -7.942 0.735 1.00 0.00 C ATOM 828 CG LEU A 53 -1.878 -7.533 0.253 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.033 -8.763 -0.042 1.00 0.00 C ATOM 830 CD2 LEU A 53 -1.980 -6.646 -0.979 1.00 0.00 C ATOM 0 H LEU A 53 -2.612 -7.539 3.083 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.831 -5.929 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.184 -8.882 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.893 -8.137 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.392 -6.965 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.046 -8.453 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.932 -9.361 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.515 -9.358 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.980 -6.364 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.486 -7.189 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.548 -5.748 -0.735 1.00 0.00 H new ATOM 842 N GLN A 54 -5.937 -8.057 2.548 1.00 0.00 N ATOM 843 CA GLN A 54 -7.349 -8.409 2.649 1.00 0.00 C ATOM 844 C GLN A 54 -8.089 -7.434 3.559 1.00 0.00 C ATOM 845 O GLN A 54 -9.312 -7.317 3.494 1.00 0.00 O ATOM 846 CB GLN A 54 -7.504 -9.836 3.178 1.00 0.00 C ATOM 847 CG GLN A 54 -8.901 -10.146 3.691 1.00 0.00 C ATOM 848 CD GLN A 54 -9.263 -11.611 3.549 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.392 -12.463 3.370 1.00 0.00 O ATOM 850 NE2 GLN A 54 -10.554 -11.913 3.629 1.00 0.00 N ATOM 0 H GLN A 54 -5.339 -8.508 3.240 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.785 -8.349 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.254 -10.539 2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.787 -9.996 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.971 -9.858 4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.626 -9.542 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.242 -11.175 3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.857 -12.883 3.541 1.00 0.00 H new ATOM 859 N GLN A 55 -7.339 -6.736 4.406 1.00 0.00 N ATOM 860 CA GLN A 55 -7.925 -5.772 5.329 1.00 0.00 C ATOM 861 C GLN A 55 -8.112 -4.417 4.655 1.00 0.00 C ATOM 862 O GLN A 55 -8.954 -3.618 5.066 1.00 0.00 O ATOM 863 CB GLN A 55 -7.043 -5.620 6.569 1.00 0.00 C ATOM 864 CG GLN A 55 -7.055 -6.839 7.477 1.00 0.00 C ATOM 865 CD GLN A 55 -8.221 -6.833 8.447 1.00 0.00 C ATOM 866 OE1 GLN A 55 -8.942 -5.842 8.561 1.00 0.00 O ATOM 867 NE2 GLN A 55 -8.411 -7.942 9.151 1.00 0.00 N ATOM 0 H GLN A 55 -6.325 -6.820 4.472 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.903 -6.145 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.018 -5.422 6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.375 -4.751 7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.099 -7.741 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.121 -6.879 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.788 -8.740 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.180 -7.997 9.819 1.00 0.00 H new ATOM 876 N VAL A 56 -7.322 -4.163 3.617 1.00 0.00 N ATOM 877 CA VAL A 56 -7.401 -2.905 2.884 1.00 0.00 C ATOM 878 C VAL A 56 -7.626 -3.148 1.396 1.00 0.00 C ATOM 879 O VAL A 56 -8.109 -2.272 0.680 1.00 0.00 O ATOM 880 CB VAL A 56 -6.121 -2.067 3.068 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.923 -1.709 4.533 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.913 -2.815 2.525 1.00 0.00 C ATOM 0 H VAL A 56 -6.619 -4.813 3.264 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.249 -2.355 3.291 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.229 -1.140 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.014 -1.117 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.777 -1.131 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.835 -2.622 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.018 -2.209 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.799 -3.758 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.056 -3.015 1.463 1.00 0.00 H new ATOM 892 N ALA A 57 -7.273 -4.345 0.938 1.00 0.00 N ATOM 893 CA ALA A 57 -7.440 -4.705 -0.465 1.00 0.00 C ATOM 894 C ALA A 57 -8.272 -5.974 -0.611 1.00 0.00 C ATOM 895 O ALA A 57 -8.668 -6.585 0.381 1.00 0.00 O ATOM 896 CB ALA A 57 -6.082 -4.882 -1.129 1.00 0.00 C ATOM 0 H ALA A 57 -6.870 -5.081 1.518 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.973 -3.894 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.221 -5.151 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.521 -3.949 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.529 -5.673 -0.622 1.00 0.00 H new ATOM 902 N ASN A 58 -8.534 -6.364 -1.854 1.00 0.00 N ATOM 903 CA ASN A 58 -9.321 -7.561 -2.129 1.00 0.00 C ATOM 904 C ASN A 58 -8.664 -8.406 -3.216 1.00 0.00 C ATOM 905 O ASN A 58 -8.441 -7.938 -4.333 1.00 0.00 O ATOM 906 CB ASN A 58 -10.740 -7.177 -2.555 1.00 0.00 C ATOM 907 CG ASN A 58 -11.613 -6.791 -1.377 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.659 -7.495 -0.368 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.310 -5.668 -1.500 1.00 0.00 N ATOM 0 H ASN A 58 -8.213 -5.869 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.370 -8.151 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.693 -6.344 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.197 -8.014 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.915 -5.357 -0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.241 -5.116 -2.355 1.00 0.00 H new ATOM 916 N LEU A 59 -8.355 -9.654 -2.881 1.00 0.00 N ATOM 917 CA LEU A 59 -7.723 -10.567 -3.828 1.00 0.00 C ATOM 918 C LEU A 59 -8.748 -11.132 -4.806 1.00 0.00 C ATOM 919 O LEU A 59 -9.801 -11.622 -4.401 1.00 0.00 O ATOM 920 CB LEU A 59 -7.030 -11.708 -3.081 1.00 0.00 C ATOM 921 CG LEU A 59 -5.963 -12.473 -3.866 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.351 -13.568 -3.006 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.555 -13.059 -5.139 1.00 0.00 C ATOM 0 H LEU A 59 -8.532 -10.057 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.979 -10.007 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.568 -11.300 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.791 -12.417 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.174 -11.775 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.594 -14.102 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.890 -13.123 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.130 -14.265 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.782 -13.600 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.364 -13.743 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.944 -12.255 -5.763 1.00 0.00 H new ATOM 935 N ASN A 60 -8.430 -11.062 -6.094 1.00 0.00 N ATOM 936 CA ASN A 60 -9.322 -11.569 -7.130 1.00 0.00 C ATOM 937 C ASN A 60 -8.763 -12.844 -7.754 1.00 0.00 C ATOM 938 O ASN A 60 -7.831 -12.797 -8.557 1.00 0.00 O ATOM 939 CB ASN A 60 -9.535 -10.508 -8.213 1.00 0.00 C ATOM 940 CG ASN A 60 -10.896 -10.620 -8.872 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.292 -11.693 -9.327 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.619 -9.507 -8.927 1.00 0.00 N ATOM 0 H ASN A 60 -7.561 -10.659 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.280 -11.803 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.428 -9.517 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.758 -10.606 -8.971 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.543 -9.520 -9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.251 -8.640 -8.537 1.00 0.00 H new ATOM 949 N SER A 61 -9.340 -13.981 -7.380 1.00 0.00 N ATOM 950 CA SER A 61 -8.898 -15.270 -7.900 1.00 0.00 C ATOM 951 C SER A 61 -8.644 -15.191 -9.403 1.00 0.00 C ATOM 952 O SER A 61 -7.850 -15.956 -9.952 1.00 0.00 O ATOM 953 CB SER A 61 -9.941 -16.349 -7.604 1.00 0.00 C ATOM 954 OG SER A 61 -11.042 -16.251 -8.491 1.00 0.00 O ATOM 0 H SER A 61 -10.115 -14.036 -6.719 1.00 0.00 H new ATOM 0 HA SER A 61 -7.964 -15.533 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.485 -17.335 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.289 -16.251 -6.576 1.00 0.00 H new ATOM 0 HG SER A 61 -11.694 -16.953 -8.282 1.00 0.00 H new ATOM 960 N LYS A 62 -9.324 -14.260 -10.063 1.00 0.00 N ATOM 961 CA LYS A 62 -9.173 -14.078 -11.502 1.00 0.00 C ATOM 962 C LYS A 62 -7.700 -14.002 -11.889 1.00 0.00 C ATOM 963 O LYS A 62 -7.177 -14.896 -12.556 1.00 0.00 O ATOM 964 CB LYS A 62 -9.897 -12.807 -11.954 1.00 0.00 C ATOM 965 CG LYS A 62 -10.390 -12.866 -13.390 1.00 0.00 C ATOM 966 CD LYS A 62 -11.612 -13.759 -13.523 1.00 0.00 C ATOM 967 CE LYS A 62 -12.172 -13.729 -14.937 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.514 -14.371 -15.015 1.00 0.00 N ATOM 0 H LYS A 62 -9.985 -13.619 -9.624 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.617 -14.939 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.746 -12.628 -11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.224 -11.957 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.634 -11.861 -13.734 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.594 -13.239 -14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.347 -14.782 -13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.379 -13.435 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.243 -12.696 -15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.485 -14.241 -15.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.862 -14.331 -15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.442 -15.364 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.177 -13.867 -14.391 1.00 0.00 H new ATOM 982 N ASP A 63 -7.036 -12.932 -11.467 1.00 0.00 N ATOM 983 CA ASP A 63 -5.622 -12.741 -11.768 1.00 0.00 C ATOM 984 C ASP A 63 -4.792 -12.718 -10.488 1.00 0.00 C ATOM 985 O ASP A 63 -3.696 -12.157 -10.456 1.00 0.00 O ATOM 986 CB ASP A 63 -5.415 -11.442 -12.548 1.00 0.00 C ATOM 987 CG ASP A 63 -4.066 -11.390 -13.238 1.00 0.00 C ATOM 988 OD1 ASP A 63 -3.548 -12.463 -13.609 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.528 -10.275 -13.406 1.00 0.00 O ATOM 0 H ASP A 63 -7.454 -12.183 -10.915 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.290 -13.580 -12.380 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.205 -11.339 -13.292 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.505 -10.595 -11.868 1.00 0.00 H new ATOM 994 N LEU A 64 -5.322 -13.329 -9.435 1.00 0.00 N ATOM 995 CA LEU A 64 -4.631 -13.378 -8.151 1.00 0.00 C ATOM 996 C LEU A 64 -4.020 -12.023 -7.809 1.00 0.00 C ATOM 997 O LEU A 64 -2.967 -11.947 -7.177 1.00 0.00 O ATOM 998 CB LEU A 64 -3.541 -14.450 -8.176 1.00 0.00 C ATOM 999 CG LEU A 64 -4.003 -15.885 -7.917 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -2.962 -16.878 -8.409 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.286 -16.094 -6.437 1.00 0.00 C ATOM 0 H LEU A 64 -6.228 -13.798 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.362 -13.630 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.050 -14.418 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.789 -14.192 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.926 -16.055 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.308 -17.893 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.809 -16.744 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.022 -16.709 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.614 -17.120 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.379 -15.905 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.069 -15.407 -6.116 1.00 0.00 H new ATOM 1013 N SER A 65 -4.690 -10.955 -8.230 1.00 0.00 N ATOM 1014 CA SER A 65 -4.212 -9.602 -7.971 1.00 0.00 C ATOM 1015 C SER A 65 -5.053 -8.926 -6.892 1.00 0.00 C ATOM 1016 O SER A 65 -6.281 -9.009 -6.904 1.00 0.00 O ATOM 1017 CB SER A 65 -4.246 -8.771 -9.255 1.00 0.00 C ATOM 1018 OG SER A 65 -5.578 -8.474 -9.635 1.00 0.00 O ATOM 0 H SER A 65 -5.565 -11.000 -8.752 1.00 0.00 H new ATOM 0 HA SER A 65 -3.183 -9.669 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.692 -7.844 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.748 -9.315 -10.058 1.00 0.00 H new ATOM 0 HG SER A 65 -5.572 -7.941 -10.457 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.383 -8.257 -5.961 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.067 -7.569 -4.873 1.00 0.00 C ATOM 1026 C TYR A 66 -5.530 -6.183 -5.311 1.00 0.00 C ATOM 1027 O TYR A 66 -4.762 -5.411 -5.887 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.146 -7.450 -3.657 1.00 0.00 C ATOM 1029 CG TYR A 66 -3.852 -8.774 -2.988 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -4.721 -9.306 -2.044 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -2.706 -9.494 -3.302 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.457 -10.515 -1.430 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.434 -10.704 -2.694 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.312 -11.210 -1.759 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.045 -12.415 -1.150 1.00 0.00 O ATOM 0 H TYR A 66 -3.366 -8.176 -5.938 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.944 -8.156 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.206 -6.992 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.603 -6.779 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.619 -8.765 -1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.016 -9.101 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.143 -10.913 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.538 -11.251 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.864 -13.094 -1.833 1.00 0.00 H new ATOM 1045 N THR A 67 -6.793 -5.872 -5.033 1.00 0.00 N ATOM 1046 CA THR A 67 -7.360 -4.581 -5.398 1.00 0.00 C ATOM 1047 C THR A 67 -7.643 -3.735 -4.162 1.00 0.00 C ATOM 1048 O THR A 67 -8.356 -4.165 -3.253 1.00 0.00 O ATOM 1049 CB THR A 67 -8.664 -4.747 -6.202 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.668 -5.358 -5.385 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.430 -5.592 -7.444 1.00 0.00 C ATOM 0 H THR A 67 -7.442 -6.498 -4.556 1.00 0.00 H new ATOM 0 HA THR A 67 -6.620 -4.076 -6.019 1.00 0.00 H new ATOM 0 HB THR A 67 -9.002 -3.758 -6.513 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.342 -6.222 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.365 -5.695 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.686 -5.109 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.071 -6.578 -7.151 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.082 -2.532 -4.133 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.274 -1.624 -3.007 1.00 0.00 C ATOM 1061 C LEU A 68 -8.748 -1.266 -2.842 1.00 0.00 C ATOM 1062 O LEU A 68 -9.376 -0.739 -3.760 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.448 -0.353 -3.204 1.00 0.00 C ATOM 1064 CG LEU A 68 -5.952 0.330 -1.928 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.831 1.831 -2.139 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -6.884 0.026 -0.764 1.00 0.00 C ATOM 0 H LEU A 68 -6.490 -2.162 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.938 -2.131 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.583 -0.598 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.048 0.363 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.964 -0.063 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.477 2.300 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.123 2.029 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.806 2.241 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.516 0.520 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.885 0.391 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.920 -1.051 -0.598 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.293 -1.554 -1.665 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.692 -1.260 -1.377 1.00 0.00 C ATOM 1080 C LYS A 69 -11.038 0.174 -1.767 1.00 0.00 C ATOM 1081 O LYS A 69 -10.179 0.925 -2.229 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.985 -1.481 0.109 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.035 -2.945 0.508 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.955 -3.115 2.016 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.413 -4.485 2.394 1.00 0.00 C ATOM 1086 NZ LYS A 69 -10.822 -4.883 3.770 1.00 0.00 N ATOM 0 H LYS A 69 -8.787 -1.991 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.309 -1.937 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.220 -0.978 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.938 -1.013 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.958 -3.392 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.211 -3.480 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.314 -2.340 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.945 -2.981 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.771 -5.227 1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.325 -4.476 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.433 -5.822 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.459 -4.189 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.860 -4.916 3.828 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.299 0.546 -1.576 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.757 1.891 -1.905 1.00 0.00 C ATOM 1102 C ASP A 70 -12.598 2.827 -0.711 1.00 0.00 C ATOM 1103 O ASP A 70 -11.867 3.816 -0.778 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.219 1.859 -2.353 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.721 3.221 -2.791 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.347 4.224 -2.149 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.487 3.283 -3.775 1.00 0.00 O ATOM 0 H ASP A 70 -13.022 -0.065 -1.195 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.142 2.268 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.328 1.153 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.839 1.493 -1.535 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.287 2.509 0.379 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.225 3.323 1.587 1.00 0.00 C ATOM 1114 C TYR A 71 -11.778 3.627 1.965 1.00 0.00 C ATOM 1115 O TYR A 71 -11.439 4.760 2.309 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.927 2.611 2.744 1.00 0.00 C ATOM 1117 CG TYR A 71 -13.007 1.734 3.563 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.757 0.418 3.193 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.388 2.221 4.708 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.918 -0.387 3.938 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.547 1.423 5.459 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.315 0.120 5.070 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.478 -0.678 5.816 1.00 0.00 O ATOM 0 H TYR A 71 -13.895 1.693 0.451 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.735 4.265 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.381 3.357 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.738 2.001 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.227 0.018 2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.568 3.241 5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.735 -1.408 3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.074 1.817 6.346 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.135 -0.168 6.580 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.929 2.607 1.898 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.518 2.764 2.231 1.00 0.00 C ATOM 1135 C VAL A 72 -8.929 4.000 1.561 1.00 0.00 C ATOM 1136 O VAL A 72 -8.085 4.688 2.136 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.701 1.527 1.811 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.230 1.720 2.146 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.249 0.275 2.480 1.00 0.00 C ATOM 0 H VAL A 72 -11.193 1.663 1.616 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.459 2.879 3.313 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.790 1.403 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.669 0.836 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.848 2.593 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.118 1.870 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.660 -0.589 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.192 0.386 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.288 0.130 2.185 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.381 4.277 0.343 1.00 0.00 N ATOM 1150 CA PHE A 73 -8.898 5.431 -0.407 1.00 0.00 C ATOM 1151 C PHE A 73 -8.902 6.685 0.462 1.00 0.00 C ATOM 1152 O PHE A 73 -8.057 7.567 0.305 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.762 5.656 -1.650 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.544 4.630 -2.725 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.267 4.345 -3.181 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.616 3.951 -3.281 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.062 3.402 -4.170 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.418 3.005 -4.269 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.140 2.732 -4.716 1.00 0.00 C ATOM 0 H PHE A 73 -10.081 3.719 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.873 5.228 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.812 5.648 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.551 6.646 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.421 4.867 -2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.618 4.163 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.061 3.189 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.262 2.480 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.984 1.996 -5.491 1.00 0.00 H new ATOM 1169 N LYS A 74 -9.860 6.758 1.380 1.00 0.00 N ATOM 1170 CA LYS A 74 -9.976 7.903 2.276 1.00 0.00 C ATOM 1171 C LYS A 74 -8.875 7.880 3.332 1.00 0.00 C ATOM 1172 O LYS A 74 -8.443 8.927 3.813 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.347 7.908 2.954 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.401 7.078 4.225 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.816 6.990 4.774 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.243 8.296 5.426 1.00 0.00 C ATOM 1177 NZ LYS A 74 -14.226 8.073 6.522 1.00 0.00 N ATOM 0 H LYS A 74 -10.568 6.037 1.523 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.868 8.811 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.623 8.936 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.091 7.531 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.026 6.075 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.745 7.518 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.506 6.742 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.875 6.182 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.366 8.807 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.681 8.952 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.492 8.987 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.074 7.608 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.800 7.468 7.253 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.425 6.681 3.686 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.374 6.524 4.685 1.00 0.00 C ATOM 1193 C GLU A 75 -6.013 6.903 4.107 1.00 0.00 C ATOM 1194 O GLU A 75 -5.093 7.266 4.841 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.338 5.083 5.199 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.664 4.607 5.768 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.504 3.436 6.718 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -8.093 2.351 6.256 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.790 3.604 7.922 1.00 0.00 O ATOM 0 H GLU A 75 -8.771 5.804 3.296 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.596 7.193 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.044 4.422 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.571 5.000 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.147 5.432 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.324 4.319 4.950 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.893 6.817 2.787 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.646 7.150 2.108 1.00 0.00 C ATOM 1208 C LEU A 76 -4.181 8.554 2.482 1.00 0.00 C ATOM 1209 O LEU A 76 -4.847 9.256 3.242 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.822 7.045 0.592 1.00 0.00 C ATOM 1211 CG LEU A 76 -4.896 5.629 0.021 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.357 5.661 -1.427 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.546 4.936 0.138 1.00 0.00 C ATOM 0 H LEU A 76 -6.645 6.519 2.165 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.886 6.438 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.733 7.575 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.992 7.565 0.113 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.625 5.062 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.404 4.644 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.345 6.117 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.653 6.245 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.617 3.929 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.797 5.502 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.256 4.880 1.187 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.036 8.956 1.940 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.483 10.277 2.216 1.00 0.00 C ATOM 1227 C GLN A 77 -2.103 10.989 0.922 1.00 0.00 C ATOM 1228 O GLN A 77 -1.205 10.552 0.202 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.260 10.162 3.127 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.461 9.214 4.299 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.025 9.910 5.522 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.520 11.034 5.438 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -1.952 9.244 6.668 1.00 0.00 N ATOM 0 H GLN A 77 -2.474 8.387 1.308 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.249 10.865 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.409 9.822 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.008 11.151 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.134 8.410 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.508 8.752 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.533 8.314 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.315 9.662 7.525 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.792 12.088 0.632 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.528 12.859 -0.576 1.00 0.00 C ATOM 1244 C ARG A 78 -1.096 13.387 -0.581 1.00 0.00 C ATOM 1245 O ARG A 78 -0.571 13.776 -1.625 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.512 14.025 -0.689 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.932 13.593 -1.016 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.716 14.714 -1.680 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.109 15.747 -0.725 1.00 0.00 N ATOM 1250 CZ ARG A 78 -7.195 15.668 0.037 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.991 14.611 -0.044 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -7.485 16.649 0.883 1.00 0.00 N ATOM 0 H ARG A 78 -3.537 12.464 1.218 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.658 12.199 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.517 14.578 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.163 14.711 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.907 12.725 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.439 13.285 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.112 15.161 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.606 14.302 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.518 16.574 -0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.771 13.855 -0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.824 14.554 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.874 17.463 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.319 16.588 1.468 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.470 13.397 0.590 1.00 0.00 N ATOM 1267 CA ASP A 79 0.901 13.877 0.721 1.00 0.00 C ATOM 1268 C ASP A 79 1.868 12.712 0.907 1.00 0.00 C ATOM 1269 O ASP A 79 2.889 12.842 1.582 1.00 0.00 O ATOM 1270 CB ASP A 79 1.016 14.844 1.901 1.00 0.00 C ATOM 1271 CG ASP A 79 2.245 15.726 1.808 1.00 0.00 C ATOM 1272 OD1 ASP A 79 3.369 15.183 1.838 1.00 0.00 O ATOM 1273 OD2 ASP A 79 2.082 16.960 1.705 1.00 0.00 O ATOM 0 H ASP A 79 -0.890 13.078 1.463 1.00 0.00 H new ATOM 0 HA ASP A 79 1.165 14.403 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.125 15.470 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.049 14.276 2.831 1.00 0.00 H new ATOM 1278 N TRP A 80 1.539 11.575 0.304 1.00 0.00 N ATOM 1279 CA TRP A 80 2.378 10.386 0.404 1.00 0.00 C ATOM 1280 C TRP A 80 3.662 10.557 -0.400 1.00 0.00 C ATOM 1281 O TRP A 80 3.639 10.857 -1.594 1.00 0.00 O ATOM 1282 CB TRP A 80 1.615 9.155 -0.086 1.00 0.00 C ATOM 1283 CG TRP A 80 2.364 7.873 0.115 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.913 7.083 -0.855 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.646 7.231 1.363 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.518 5.989 -0.285 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.369 6.057 1.075 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.359 7.534 2.697 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.806 5.189 2.072 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.793 6.672 3.685 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.511 5.511 3.368 1.00 0.00 C ATOM 0 H TRP A 80 0.698 11.451 -0.259 1.00 0.00 H new ATOM 0 HA TRP A 80 2.643 10.246 1.452 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.661 9.096 0.437 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.390 9.274 -1.146 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.877 7.288 -1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 80 4.000 5.247 -0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.807 8.427 2.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.358 4.293 1.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.575 6.896 4.719 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.838 4.857 4.163 1.00 0.00 H new ATOM 1302 N PRO A 81 4.810 10.363 0.266 1.00 0.00 N ATOM 1303 CA PRO A 81 6.125 10.490 -0.369 1.00 0.00 C ATOM 1304 C PRO A 81 6.399 9.368 -1.365 1.00 0.00 C ATOM 1305 O PRO A 81 7.457 9.325 -1.991 1.00 0.00 O ATOM 1306 CB PRO A 81 7.098 10.407 0.810 1.00 0.00 C ATOM 1307 CG PRO A 81 6.362 9.640 1.855 1.00 0.00 C ATOM 1308 CD PRO A 81 4.912 10.003 1.690 1.00 0.00 C ATOM 0 HA PRO A 81 6.211 11.410 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.022 9.903 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.373 11.399 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.513 8.568 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.718 9.898 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.258 9.168 1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.630 10.835 2.336 1.00 0.00 H new ATOM 1316 N GLY A 82 5.437 8.460 -1.506 1.00 0.00 N ATOM 1317 CA GLY A 82 5.594 7.351 -2.428 1.00 0.00 C ATOM 1318 C GLY A 82 5.037 7.657 -3.804 1.00 0.00 C ATOM 1319 O GLY A 82 5.220 6.881 -4.743 1.00 0.00 O ATOM 0 H GLY A 82 4.553 8.473 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.652 7.102 -2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.092 6.472 -2.023 1.00 0.00 H new ATOM 1323 N TYR A 83 4.354 8.789 -3.926 1.00 0.00 N ATOM 1324 CA TYR A 83 3.764 9.194 -5.196 1.00 0.00 C ATOM 1325 C TYR A 83 4.660 10.196 -5.918 1.00 0.00 C ATOM 1326 O TYR A 83 4.860 11.317 -5.450 1.00 0.00 O ATOM 1327 CB TYR A 83 2.380 9.803 -4.969 1.00 0.00 C ATOM 1328 CG TYR A 83 1.391 8.844 -4.345 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.311 7.523 -4.771 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.537 9.257 -3.331 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.409 6.643 -4.205 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.367 8.384 -2.758 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.427 7.078 -3.198 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.327 6.205 -2.631 1.00 0.00 O ATOM 0 H TYR A 83 4.195 9.443 -3.160 1.00 0.00 H new ATOM 0 HA TYR A 83 3.665 8.306 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.478 10.679 -4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.984 10.150 -5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.965 7.179 -5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.580 10.279 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.359 5.620 -4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.023 8.722 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.242 5.326 -3.056 1.00 0.00 H new ATOM 1344 N SER A 84 5.197 9.782 -7.062 1.00 0.00 N ATOM 1345 CA SER A 84 6.075 10.641 -7.848 1.00 0.00 C ATOM 1346 C SER A 84 5.285 11.766 -8.509 1.00 0.00 C ATOM 1347 O SER A 84 4.061 11.828 -8.396 1.00 0.00 O ATOM 1348 CB SER A 84 6.805 9.821 -8.914 1.00 0.00 C ATOM 1349 OG SER A 84 7.715 8.910 -8.322 1.00 0.00 O ATOM 0 H SER A 84 5.039 8.858 -7.464 1.00 0.00 H new ATOM 0 HA SER A 84 6.809 11.083 -7.174 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.080 9.275 -9.517 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.341 10.489 -9.588 1.00 0.00 H new ATOM 0 HG SER A 84 8.167 8.397 -9.024 1.00 0.00 H new ATOM 1355 N GLU A 85 5.995 12.654 -9.199 1.00 0.00 N ATOM 1356 CA GLU A 85 5.359 13.777 -9.877 1.00 0.00 C ATOM 1357 C GLU A 85 4.157 13.311 -10.693 1.00 0.00 C ATOM 1358 O GLU A 85 3.232 14.082 -10.950 1.00 0.00 O ATOM 1359 CB GLU A 85 6.364 14.486 -10.789 1.00 0.00 C ATOM 1360 CG GLU A 85 5.719 15.220 -11.952 1.00 0.00 C ATOM 1361 CD GLU A 85 6.728 15.963 -12.805 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.152 17.066 -12.399 1.00 0.00 O ATOM 1363 OE2 GLU A 85 7.095 15.442 -13.879 1.00 0.00 O ATOM 0 H GLU A 85 7.009 12.617 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 85 5.011 14.477 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.941 15.197 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.068 13.751 -11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.180 14.505 -12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.983 15.927 -11.568 1.00 0.00 H new ATOM 1370 N ILE A 86 4.179 12.046 -11.098 1.00 0.00 N ATOM 1371 CA ILE A 86 3.091 11.477 -11.883 1.00 0.00 C ATOM 1372 C ILE A 86 2.075 10.774 -10.989 1.00 0.00 C ATOM 1373 O ILE A 86 0.889 11.102 -11.002 1.00 0.00 O ATOM 1374 CB ILE A 86 3.616 10.476 -12.930 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.783 11.085 -13.709 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.498 10.063 -13.875 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.091 11.069 -12.950 1.00 0.00 C ATOM 0 H ILE A 86 4.938 11.396 -10.896 1.00 0.00 H new ATOM 0 HA ILE A 86 2.606 12.307 -12.396 1.00 0.00 H new ATOM 0 HB ILE A 86 3.975 9.586 -12.413 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.909 10.540 -14.644 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.537 12.114 -13.971 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.885 9.356 -14.609 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.696 9.593 -13.306 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.112 10.944 -14.388 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.873 11.516 -13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.983 11.639 -12.027 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.361 10.040 -12.712 1.00 0.00 H new ATOM 1389 N ASP A 87 2.550 9.807 -10.211 1.00 0.00 N ATOM 1390 CA ASP A 87 1.684 9.059 -9.307 1.00 0.00 C ATOM 1391 C ASP A 87 0.695 9.988 -8.610 1.00 0.00 C ATOM 1392 O ASP A 87 -0.517 9.777 -8.670 1.00 0.00 O ATOM 1393 CB ASP A 87 2.521 8.312 -8.267 1.00 0.00 C ATOM 1394 CG ASP A 87 3.479 7.321 -8.899 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.074 6.635 -9.860 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.633 7.231 -8.431 1.00 0.00 O ATOM 0 H ASP A 87 3.529 9.523 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 87 1.121 8.336 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.086 9.032 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.858 7.785 -7.581 1.00 0.00 H new ATOM 1401 N ARG A 88 1.219 11.014 -7.948 1.00 0.00 N ATOM 1402 CA ARG A 88 0.382 11.973 -7.238 1.00 0.00 C ATOM 1403 C ARG A 88 -0.817 12.382 -8.087 1.00 0.00 C ATOM 1404 O ARG A 88 -1.958 12.350 -7.625 1.00 0.00 O ATOM 1405 CB ARG A 88 1.198 13.210 -6.858 1.00 0.00 C ATOM 1406 CG ARG A 88 2.222 12.953 -5.765 1.00 0.00 C ATOM 1407 CD ARG A 88 3.281 14.043 -5.726 1.00 0.00 C ATOM 1408 NE ARG A 88 2.883 15.163 -4.878 1.00 0.00 N ATOM 1409 CZ ARG A 88 3.497 16.341 -4.878 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.533 16.552 -5.679 1.00 0.00 N ATOM 1411 NH2 ARG A 88 3.076 17.311 -4.077 1.00 0.00 N ATOM 0 H ARG A 88 2.220 11.202 -7.889 1.00 0.00 H new ATOM 0 HA ARG A 88 0.015 11.495 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.711 13.582 -7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.518 13.996 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.719 12.898 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.699 11.987 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.218 13.625 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.468 14.403 -6.738 1.00 0.00 H new ATOM 0 HE ARG A 88 2.089 15.034 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.860 15.809 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.003 17.457 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.280 17.153 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.549 18.215 -4.078 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.551 12.767 -9.331 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.608 13.184 -10.245 1.00 0.00 C ATOM 1427 C ARG A 89 -2.404 11.980 -10.741 1.00 0.00 C ATOM 1428 O ARG A 89 -3.528 12.122 -11.221 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.014 13.942 -11.434 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.306 13.044 -12.436 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.390 13.609 -13.845 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.737 13.499 -14.400 1.00 0.00 N ATOM 1433 CZ ARG A 89 -2.010 13.614 -15.694 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.035 13.840 -16.564 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.261 13.502 -16.122 1.00 0.00 N ATOM 0 H ARG A 89 0.388 12.799 -9.729 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.283 13.846 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.811 14.484 -11.944 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.309 14.686 -11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.740 12.931 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.752 12.050 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.087 14.656 -13.834 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.312 13.080 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.510 13.324 -13.758 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.072 13.926 -16.240 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.248 13.928 -17.558 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.014 13.327 -15.456 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.470 13.591 -17.117 1.00 0.00 H new ATOM 1449 N SER A 90 -1.812 10.796 -10.622 1.00 0.00 N ATOM 1450 CA SER A 90 -2.463 9.568 -11.063 1.00 0.00 C ATOM 1451 C SER A 90 -3.379 9.018 -9.974 1.00 0.00 C ATOM 1452 O SER A 90 -4.275 8.217 -10.245 1.00 0.00 O ATOM 1453 CB SER A 90 -1.417 8.519 -11.443 1.00 0.00 C ATOM 1454 OG SER A 90 -1.916 7.637 -12.434 1.00 0.00 O ATOM 0 H SER A 90 -0.883 10.661 -10.224 1.00 0.00 H new ATOM 0 HA SER A 90 -3.068 9.801 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.518 9.014 -11.811 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.129 7.951 -10.558 1.00 0.00 H new ATOM 0 HG SER A 90 -1.228 6.977 -12.661 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.148 9.454 -8.740 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.952 9.006 -7.608 1.00 0.00 C ATOM 1462 C LEU A 91 -5.125 9.950 -7.365 1.00 0.00 C ATOM 1463 O LEU A 91 -6.244 9.510 -7.106 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.088 8.914 -6.349 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.805 9.170 -5.023 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.140 8.392 -3.898 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.825 10.658 -4.705 1.00 0.00 C ATOM 0 H LEU A 91 -2.411 10.117 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.348 8.018 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.641 7.921 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.270 9.629 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.835 8.825 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.664 8.586 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.179 7.326 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.100 8.705 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.339 10.821 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.802 11.028 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.348 11.193 -5.498 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.860 11.250 -7.454 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.895 12.256 -7.245 1.00 0.00 C ATOM 1481 C GLU A 92 -7.170 11.889 -8.000 1.00 0.00 C ATOM 1482 O GLU A 92 -8.265 12.318 -7.636 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.400 13.631 -7.697 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.122 13.719 -9.188 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.951 15.147 -9.667 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -5.968 15.782 -10.015 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -3.799 15.630 -9.692 1.00 0.00 O ATOM 0 H GLU A 92 -3.939 11.631 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.121 12.292 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.144 14.381 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.489 13.877 -7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.220 13.152 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.941 13.252 -9.735 1.00 0.00 H new ATOM 1494 N SER A 93 -7.018 11.094 -9.054 1.00 0.00 N ATOM 1495 CA SER A 93 -8.156 10.672 -9.864 1.00 0.00 C ATOM 1496 C SER A 93 -9.037 9.693 -9.095 1.00 0.00 C ATOM 1497 O SER A 93 -10.155 10.025 -8.699 1.00 0.00 O ATOM 1498 CB SER A 93 -7.672 10.028 -11.164 1.00 0.00 C ATOM 1499 OG SER A 93 -8.749 9.819 -12.061 1.00 0.00 O ATOM 0 H SER A 93 -6.119 10.729 -9.367 1.00 0.00 H new ATOM 0 HA SER A 93 -8.748 11.555 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.923 10.666 -11.633 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.188 9.077 -10.944 1.00 0.00 H new ATOM 0 HG SER A 93 -8.413 9.408 -12.885 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.525 8.484 -8.886 1.00 0.00 N ATOM 1506 CA VAL A 94 -9.264 7.455 -8.164 1.00 0.00 C ATOM 1507 C VAL A 94 -10.052 8.056 -7.005 1.00 0.00 C ATOM 1508 O VAL A 94 -11.284 8.056 -7.010 1.00 0.00 O ATOM 1509 CB VAL A 94 -8.322 6.365 -7.619 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -9.115 5.284 -6.901 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.491 5.769 -8.745 1.00 0.00 C ATOM 0 H VAL A 94 -7.601 8.193 -9.207 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.956 7.004 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.643 6.822 -6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.433 4.523 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.662 5.726 -6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.819 4.827 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.831 5.001 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.152 5.326 -9.490 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.894 6.553 -9.211 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.334 8.569 -6.012 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.965 9.175 -4.844 1.00 0.00 C ATOM 1523 C LEU A 95 -11.153 10.038 -5.255 1.00 0.00 C ATOM 1524 O LEU A 95 -12.188 10.046 -4.588 1.00 0.00 O ATOM 1525 CB LEU A 95 -8.950 10.018 -4.071 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.581 9.376 -3.840 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.740 10.234 -2.908 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -7.740 7.971 -3.277 1.00 0.00 C ATOM 0 H LEU A 95 -8.314 8.578 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.327 8.374 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.803 10.956 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.380 10.269 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.067 9.306 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.770 9.762 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.598 11.220 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.249 10.336 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.756 7.529 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.274 8.018 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.304 7.359 -3.981 1.00 0.00 H new ATOM 1540 N SER A 96 -10.998 10.764 -6.358 1.00 0.00 N ATOM 1541 CA SER A 96 -12.058 11.632 -6.857 1.00 0.00 C ATOM 1542 C SER A 96 -13.200 10.811 -7.448 1.00 0.00 C ATOM 1543 O SER A 96 -14.362 11.215 -7.396 1.00 0.00 O ATOM 1544 CB SER A 96 -11.505 12.592 -7.912 1.00 0.00 C ATOM 1545 OG SER A 96 -12.462 13.581 -8.252 1.00 0.00 O ATOM 0 H SER A 96 -10.149 10.768 -6.923 1.00 0.00 H new ATOM 0 HA SER A 96 -12.446 12.210 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.601 13.070 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.222 12.033 -8.804 1.00 0.00 H new ATOM 0 HG SER A 96 -12.084 14.183 -8.927 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.860 9.657 -8.012 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.855 8.779 -8.615 1.00 0.00 C ATOM 1553 C ARG A 97 -14.577 7.961 -7.548 1.00 0.00 C ATOM 1554 O ARG A 97 -15.736 7.582 -7.719 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.194 7.843 -9.629 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.211 8.544 -10.553 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.894 9.043 -11.817 1.00 0.00 C ATOM 1558 NE ARG A 97 -12.247 10.238 -12.353 1.00 0.00 N ATOM 1559 CZ ARG A 97 -12.805 11.031 -13.261 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -14.014 10.757 -13.732 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -12.154 12.101 -13.699 1.00 0.00 N ATOM 0 H ARG A 97 -11.903 9.308 -8.064 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.587 9.402 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.673 7.049 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.969 7.367 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.753 9.383 -10.030 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.407 7.858 -10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -12.882 8.255 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.940 9.263 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.316 10.477 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -14.518 9.936 -13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.440 11.368 -14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.224 12.315 -13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.583 12.709 -14.396 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.884 7.692 -6.447 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.457 6.920 -5.351 1.00 0.00 C ATOM 1577 C LYS A 98 -15.083 7.839 -4.307 1.00 0.00 C ATOM 1578 O LYS A 98 -16.275 7.741 -4.014 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.383 6.046 -4.699 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.470 5.357 -5.698 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.237 4.379 -6.573 1.00 0.00 C ATOM 1582 CE LYS A 98 -13.234 2.979 -5.979 1.00 0.00 C ATOM 1583 NZ LYS A 98 -14.468 2.224 -6.333 1.00 0.00 N ATOM 0 H LYS A 98 -12.924 7.998 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.238 6.280 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.779 6.663 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.868 5.290 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.985 6.105 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.680 4.828 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.265 4.723 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -12.793 4.354 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.360 2.435 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.147 3.045 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.241 1.214 -6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.178 2.348 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.848 2.582 -7.233 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.272 8.732 -3.750 1.00 0.00 N ATOM 1598 CA LEU A 99 -14.747 9.671 -2.739 1.00 0.00 C ATOM 1599 C LEU A 99 -15.711 10.685 -3.348 1.00 0.00 C ATOM 1600 O LEU A 99 -15.292 11.709 -3.885 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.566 10.396 -2.094 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.474 9.506 -1.499 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.375 10.352 -0.877 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.065 8.554 -0.469 1.00 0.00 C ATOM 0 H LEU A 99 -13.283 8.826 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.279 9.106 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.110 11.044 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -13.950 11.042 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.036 8.914 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.607 9.701 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -10.932 10.992 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.797 10.971 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.274 7.928 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.530 9.128 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.815 7.923 -0.945 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.004 10.392 -3.257 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.028 11.280 -3.797 1.00 0.00 C ATOM 1618 C ASN A 100 -17.779 12.722 -3.368 1.00 0.00 C ATOM 1619 O ASN A 100 -18.609 13.601 -3.600 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.416 10.831 -3.336 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.683 11.177 -1.884 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -18.817 11.011 -1.025 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.888 11.661 -1.604 1.00 0.00 N ATOM 0 H ASN A 100 -17.368 9.548 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.980 11.230 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.174 11.300 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.511 9.754 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -21.127 11.912 -0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.575 11.782 -2.348 1.00 0.00 H new