USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 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 78 LYS NZ :NH3+ -176:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= -1.43! C(o=-0.37!,f=-11!) USER MOD Set 2.1: A 73 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-7.3!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 37 SER OG : rot -29:sc= 0.844 USER MOD Set 4.2: A 61 THR OG1 : rot -102:sc= 0.945 USER MOD Set 5.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 27 SER OG : rot -41:sc= 0.95 USER MOD Single : A 4 THR OG1 : rot 157:sc= 0.26 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 88:sc= 0.728 USER MOD Single : A 16 CYS SG : rot -37:sc= -0.195 USER MOD Single : A 22 THR OG1 : rot 7:sc= 1.07 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= 0.777 (180deg=0.341) USER MOD Single : A 62 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.83) USER MOD Single : A 65 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ -113:sc= 1.31 (180deg=-0.299) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0765 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.741 11.013 3.979 1.00 0.00 N ATOM 46 CA THR A 4 0.925 9.960 2.954 1.00 0.00 C ATOM 47 C THR A 4 -0.122 8.827 3.101 1.00 0.00 C ATOM 48 O THR A 4 -0.516 8.222 2.110 1.00 0.00 O ATOM 49 CB THR A 4 2.365 9.348 3.018 1.00 0.00 C ATOM 50 OG1 THR A 4 3.336 10.401 3.112 1.00 0.00 O ATOM 51 CG2 THR A 4 2.677 8.484 1.777 1.00 0.00 C ATOM 0 HA THR A 4 0.785 10.441 1.986 1.00 0.00 H new ATOM 0 HB THR A 4 2.411 8.709 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.162 10.050 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.685 8.078 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.960 7.665 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.606 9.098 0.879 1.00 0.00 H new ATOM 59 N PHE A 5 -0.625 8.632 4.341 1.00 0.00 N ATOM 60 CA PHE A 5 -1.646 7.615 4.632 1.00 0.00 C ATOM 61 C PHE A 5 -2.946 7.909 3.883 1.00 0.00 C ATOM 62 O PHE A 5 -3.416 7.059 3.147 1.00 0.00 O ATOM 63 CB PHE A 5 -1.927 7.472 6.157 1.00 0.00 C ATOM 64 CG PHE A 5 -3.150 6.589 6.450 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.106 5.211 6.232 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.363 7.151 6.857 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.230 4.433 6.404 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.476 6.366 7.039 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.413 5.007 6.810 1.00 0.00 C ATOM 0 H PHE A 5 -0.335 9.172 5.156 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.243 6.665 4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.051 7.047 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.085 8.461 6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.179 4.749 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.426 8.215 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.183 3.370 6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.404 6.815 7.363 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.291 4.394 6.949 1.00 0.00 H new ATOM 79 N ASP A 6 -3.497 9.117 4.090 1.00 0.00 N ATOM 80 CA ASP A 6 -4.793 9.537 3.504 1.00 0.00 C ATOM 81 C ASP A 6 -4.766 9.427 1.981 1.00 0.00 C ATOM 82 O ASP A 6 -5.766 9.066 1.352 1.00 0.00 O ATOM 83 CB ASP A 6 -5.131 10.989 3.917 1.00 0.00 C ATOM 84 CG ASP A 6 -6.482 11.489 3.355 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.526 11.215 3.975 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.504 12.120 2.271 1.00 0.00 O ATOM 0 H ASP A 6 -3.060 9.835 4.668 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.564 8.869 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.152 11.054 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.336 11.651 3.574 1.00 0.00 H new ATOM 91 N ARG A 7 -3.599 9.746 1.413 1.00 0.00 N ATOM 92 CA ARG A 7 -3.353 9.675 -0.024 1.00 0.00 C ATOM 93 C ARG A 7 -3.477 8.215 -0.529 1.00 0.00 C ATOM 94 O ARG A 7 -4.200 7.941 -1.486 1.00 0.00 O ATOM 95 CB ARG A 7 -1.951 10.261 -0.346 1.00 0.00 C ATOM 96 CG ARG A 7 -1.641 11.661 0.261 1.00 0.00 C ATOM 97 CD ARG A 7 -2.768 12.678 0.032 1.00 0.00 C ATOM 98 NE ARG A 7 -3.098 12.839 -1.400 1.00 0.00 N ATOM 99 CZ ARG A 7 -4.337 12.815 -1.920 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.399 12.598 -1.146 1.00 0.00 N ATOM 101 NH2 ARG A 7 -4.505 12.997 -3.214 1.00 0.00 N ATOM 0 H ARG A 7 -2.791 10.064 1.948 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.105 10.269 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.196 9.559 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.846 10.325 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.466 11.556 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.719 12.044 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.658 12.358 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.473 13.643 0.445 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.322 12.980 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.278 12.447 -0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.333 12.583 -1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.697 13.155 -3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.443 12.980 -3.614 1.00 0.00 H new ATOM 115 N VAL A 8 -2.737 7.301 0.118 1.00 0.00 N ATOM 116 CA VAL A 8 -2.829 5.846 -0.167 1.00 0.00 C ATOM 117 C VAL A 8 -4.260 5.310 0.120 1.00 0.00 C ATOM 118 O VAL A 8 -4.776 4.471 -0.615 1.00 0.00 O ATOM 119 CB VAL A 8 -1.792 5.026 0.691 1.00 0.00 C ATOM 120 CG1 VAL A 8 -1.846 3.512 0.354 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.358 5.581 0.517 1.00 0.00 C ATOM 0 H VAL A 8 -2.063 7.538 0.846 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.599 5.715 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.072 5.142 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.118 2.977 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.845 3.128 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.613 3.365 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.335 4.995 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.068 5.518 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.329 6.622 0.839 1.00 0.00 H new ATOM 131 N ALA A 9 -4.889 5.855 1.172 1.00 0.00 N ATOM 132 CA ALA A 9 -6.183 5.394 1.702 1.00 0.00 C ATOM 133 C ALA A 9 -7.318 5.689 0.713 1.00 0.00 C ATOM 134 O ALA A 9 -8.190 4.843 0.508 1.00 0.00 O ATOM 135 CB ALA A 9 -6.488 6.041 3.069 1.00 0.00 C ATOM 0 H ALA A 9 -4.505 6.645 1.690 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.115 4.315 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.450 5.682 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.706 5.774 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.524 7.125 2.959 1.00 0.00 H new ATOM 141 N THR A 10 -7.297 6.895 0.098 1.00 0.00 N ATOM 142 CA THR A 10 -8.304 7.296 -0.902 1.00 0.00 C ATOM 143 C THR A 10 -8.140 6.477 -2.199 1.00 0.00 C ATOM 144 O THR A 10 -9.127 6.223 -2.892 1.00 0.00 O ATOM 145 CB THR A 10 -8.255 8.846 -1.190 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.397 9.252 -1.946 1.00 0.00 O ATOM 147 CG2 THR A 10 -6.980 9.298 -1.921 1.00 0.00 C ATOM 0 H THR A 10 -6.589 7.607 0.281 1.00 0.00 H new ATOM 0 HA THR A 10 -9.289 7.080 -0.488 1.00 0.00 H new ATOM 0 HB THR A 10 -8.253 9.327 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.352 10.216 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.017 10.375 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.107 9.053 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.911 8.787 -2.881 1.00 0.00 H new ATOM 155 N ILE A 11 -6.886 6.054 -2.494 1.00 0.00 N ATOM 156 CA ILE A 11 -6.585 5.126 -3.606 1.00 0.00 C ATOM 157 C ILE A 11 -7.238 3.758 -3.338 1.00 0.00 C ATOM 158 O ILE A 11 -7.965 3.246 -4.178 1.00 0.00 O ATOM 159 CB ILE A 11 -5.030 4.955 -3.829 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.372 6.312 -4.231 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.699 3.843 -4.865 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.917 6.934 -5.502 1.00 0.00 C ATOM 0 H ILE A 11 -6.061 6.346 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.999 5.556 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.605 4.636 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.503 7.019 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.300 6.158 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.618 3.765 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.096 2.890 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.151 4.094 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.399 7.873 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.761 6.251 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.984 7.126 -5.385 1.00 0.00 H new ATOM 174 N ILE A 12 -7.003 3.210 -2.135 1.00 0.00 N ATOM 175 CA ILE A 12 -7.570 1.911 -1.706 1.00 0.00 C ATOM 176 C ILE A 12 -9.118 1.966 -1.722 1.00 0.00 C ATOM 177 O ILE A 12 -9.787 0.988 -2.091 1.00 0.00 O ATOM 178 CB ILE A 12 -7.043 1.535 -0.268 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.491 1.331 -0.295 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.764 0.295 0.328 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.851 1.101 1.069 1.00 0.00 C ATOM 0 H ILE A 12 -6.415 3.651 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.247 1.140 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.277 2.370 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.262 0.480 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.032 2.207 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.362 0.081 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.832 0.498 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.605 -0.566 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.776 0.970 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.043 1.961 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.276 0.207 1.524 1.00 0.00 H new ATOM 193 N ALA A 13 -9.658 3.136 -1.350 1.00 0.00 N ATOM 194 CA ALA A 13 -11.098 3.399 -1.289 1.00 0.00 C ATOM 195 C ALA A 13 -11.760 3.336 -2.677 1.00 0.00 C ATOM 196 O ALA A 13 -12.723 2.602 -2.869 1.00 0.00 O ATOM 197 CB ALA A 13 -11.362 4.758 -0.626 1.00 0.00 C ATOM 0 H ALA A 13 -9.092 3.940 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.548 2.612 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.436 4.941 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.958 4.754 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.880 5.545 -1.206 1.00 0.00 H new ATOM 203 N GLU A 14 -11.226 4.106 -3.641 1.00 0.00 N ATOM 204 CA GLU A 14 -11.791 4.187 -5.008 1.00 0.00 C ATOM 205 C GLU A 14 -11.523 2.906 -5.828 1.00 0.00 C ATOM 206 O GLU A 14 -12.340 2.521 -6.672 1.00 0.00 O ATOM 207 CB GLU A 14 -11.219 5.434 -5.737 1.00 0.00 C ATOM 208 CG GLU A 14 -9.689 5.411 -5.920 1.00 0.00 C ATOM 209 CD GLU A 14 -9.113 6.739 -6.425 1.00 0.00 C ATOM 210 OE1 GLU A 14 -9.089 6.962 -7.654 1.00 0.00 O ATOM 211 OE2 GLU A 14 -8.697 7.575 -5.595 1.00 0.00 O ATOM 0 H GLU A 14 -10.399 4.686 -3.501 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.873 4.282 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.690 5.516 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.493 6.327 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.221 5.160 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.427 4.620 -6.623 1.00 0.00 H new ATOM 218 N THR A 15 -10.374 2.257 -5.568 1.00 0.00 N ATOM 219 CA THR A 15 -9.931 1.073 -6.315 1.00 0.00 C ATOM 220 C THR A 15 -10.697 -0.183 -5.854 1.00 0.00 C ATOM 221 O THR A 15 -11.411 -0.810 -6.638 1.00 0.00 O ATOM 222 CB THR A 15 -8.384 0.870 -6.153 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.685 2.010 -6.686 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.873 -0.389 -6.854 1.00 0.00 C ATOM 0 H THR A 15 -9.728 2.542 -4.832 1.00 0.00 H new ATOM 0 HA THR A 15 -10.149 1.233 -7.371 1.00 0.00 H new ATOM 0 HB THR A 15 -8.193 0.758 -5.086 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.592 2.692 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.796 -0.476 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.368 -1.265 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.089 -0.325 -7.920 1.00 0.00 H new ATOM 232 N CYS A 16 -10.566 -0.513 -4.561 1.00 0.00 N ATOM 233 CA CYS A 16 -11.115 -1.752 -3.980 1.00 0.00 C ATOM 234 C CYS A 16 -12.543 -1.532 -3.411 1.00 0.00 C ATOM 235 O CYS A 16 -13.112 -2.445 -2.794 1.00 0.00 O ATOM 236 CB CYS A 16 -10.144 -2.272 -2.886 1.00 0.00 C ATOM 237 SG CYS A 16 -10.558 -3.896 -2.228 1.00 0.00 S ATOM 0 H CYS A 16 -10.075 0.072 -3.885 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.206 -2.502 -4.765 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.136 -2.308 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.125 -1.556 -2.065 1.00 0.00 H new ATOM 0 HG CYS A 16 -11.850 -4.014 -2.146 1.00 0.00 H new ATOM 243 N ASP A 17 -13.108 -0.307 -3.631 1.00 0.00 N ATOM 244 CA ASP A 17 -14.484 0.086 -3.197 1.00 0.00 C ATOM 245 C ASP A 17 -14.687 0.002 -1.669 1.00 0.00 C ATOM 246 O ASP A 17 -15.829 -0.096 -1.198 1.00 0.00 O ATOM 247 CB ASP A 17 -15.581 -0.719 -3.960 1.00 0.00 C ATOM 248 CG ASP A 17 -15.755 -0.263 -5.417 1.00 0.00 C ATOM 249 OD1 ASP A 17 -14.957 -0.674 -6.281 1.00 0.00 O ATOM 250 OD2 ASP A 17 -16.694 0.515 -5.707 1.00 0.00 O ATOM 0 H ASP A 17 -12.616 0.441 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.592 1.138 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.324 -1.778 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.531 -0.614 -3.436 1.00 0.00 H new ATOM 255 N ILE A 18 -13.592 0.108 -0.903 1.00 0.00 N ATOM 256 CA ILE A 18 -13.631 0.056 0.568 1.00 0.00 C ATOM 257 C ILE A 18 -13.955 1.461 1.120 1.00 0.00 C ATOM 258 O ILE A 18 -13.163 2.379 0.902 1.00 0.00 O ATOM 259 CB ILE A 18 -12.261 -0.451 1.161 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.867 -1.818 0.530 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.318 -0.555 2.709 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.549 -2.387 1.028 1.00 0.00 C ATOM 0 H ILE A 18 -12.654 0.232 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.406 -0.649 0.868 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.495 0.282 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.659 -2.539 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.812 -1.701 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.358 -0.907 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.536 0.426 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.101 -1.257 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.355 -3.340 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.743 -1.690 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.603 -2.540 2.106 1.00 0.00 H new ATOM 274 N PRO A 19 -15.140 1.666 1.792 1.00 0.00 N ATOM 275 CA PRO A 19 -15.488 2.948 2.464 1.00 0.00 C ATOM 276 C PRO A 19 -14.359 3.495 3.371 1.00 0.00 C ATOM 277 O PRO A 19 -13.613 2.720 3.983 1.00 0.00 O ATOM 278 CB PRO A 19 -16.736 2.568 3.298 1.00 0.00 C ATOM 279 CG PRO A 19 -17.391 1.486 2.502 1.00 0.00 C ATOM 280 CD PRO A 19 -16.252 0.675 1.924 1.00 0.00 C ATOM 0 HA PRO A 19 -15.655 3.751 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.459 2.219 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.400 3.422 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.035 0.870 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.018 1.902 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.976 -0.151 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.518 0.242 0.960 1.00 0.00 H new ATOM 288 N ARG A 20 -14.251 4.831 3.452 1.00 0.00 N ATOM 289 CA ARG A 20 -13.223 5.514 4.270 1.00 0.00 C ATOM 290 C ARG A 20 -13.353 5.148 5.764 1.00 0.00 C ATOM 291 O ARG A 20 -12.346 5.050 6.476 1.00 0.00 O ATOM 292 CB ARG A 20 -13.324 7.047 4.076 1.00 0.00 C ATOM 293 CG ARG A 20 -12.872 7.560 2.686 1.00 0.00 C ATOM 294 CD ARG A 20 -11.371 7.279 2.398 1.00 0.00 C ATOM 295 NE ARG A 20 -10.706 8.442 1.766 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.658 9.118 2.282 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.076 8.730 3.414 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.203 10.196 1.666 1.00 0.00 N ATOM 0 H ARG A 20 -14.870 5.471 2.955 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.243 5.175 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.357 7.352 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.721 7.536 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.480 7.087 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.054 8.633 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.862 7.031 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.282 6.410 1.745 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.070 8.758 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.421 7.907 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.285 9.255 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.644 10.515 0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.411 10.709 2.054 1.00 0.00 H new ATOM 312 N GLU A 21 -14.608 4.937 6.207 1.00 0.00 N ATOM 313 CA GLU A 21 -14.942 4.534 7.591 1.00 0.00 C ATOM 314 C GLU A 21 -14.338 3.152 7.951 1.00 0.00 C ATOM 315 O GLU A 21 -13.910 2.933 9.092 1.00 0.00 O ATOM 316 CB GLU A 21 -16.489 4.527 7.777 1.00 0.00 C ATOM 317 CG GLU A 21 -17.255 3.554 6.850 1.00 0.00 C ATOM 318 CD GLU A 21 -18.787 3.650 6.975 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.318 3.366 8.073 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.466 3.991 5.978 1.00 0.00 O ATOM 0 H GLU A 21 -15.428 5.042 5.609 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.501 5.262 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.714 4.271 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.865 5.536 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.971 3.753 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.945 2.533 7.075 1.00 0.00 H new ATOM 327 N THR A 22 -14.298 2.234 6.960 1.00 0.00 N ATOM 328 CA THR A 22 -13.755 0.869 7.138 1.00 0.00 C ATOM 329 C THR A 22 -12.224 0.824 6.909 1.00 0.00 C ATOM 330 O THR A 22 -11.598 -0.220 7.097 1.00 0.00 O ATOM 331 CB THR A 22 -14.493 -0.152 6.199 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.495 0.326 4.851 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.947 -0.398 6.645 1.00 0.00 C ATOM 0 H THR A 22 -14.640 2.418 6.017 1.00 0.00 H new ATOM 0 HA THR A 22 -13.937 0.578 8.173 1.00 0.00 H new ATOM 0 HB THR A 22 -13.949 -1.095 6.262 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.938 1.130 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.420 -1.110 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.954 -0.801 7.658 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.498 0.542 6.625 1.00 0.00 H new ATOM 341 N ILE A 23 -11.632 1.962 6.496 1.00 0.00 N ATOM 342 CA ILE A 23 -10.170 2.124 6.359 1.00 0.00 C ATOM 343 C ILE A 23 -9.621 2.783 7.637 1.00 0.00 C ATOM 344 O ILE A 23 -10.133 3.828 8.054 1.00 0.00 O ATOM 345 CB ILE A 23 -9.817 3.018 5.104 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.331 2.342 3.797 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.297 3.323 5.014 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.145 3.163 2.532 1.00 0.00 C ATOM 0 H ILE A 23 -12.157 2.800 6.246 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.716 1.144 6.216 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.324 3.975 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.817 1.389 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.391 2.119 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.101 3.940 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.979 3.856 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.743 2.388 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.533 2.608 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.684 4.106 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.084 3.365 2.382 1.00 0.00 H new ATOM 360 N THR A 24 -8.608 2.154 8.273 1.00 0.00 N ATOM 361 CA THR A 24 -7.893 2.708 9.454 1.00 0.00 C ATOM 362 C THR A 24 -6.382 2.383 9.328 1.00 0.00 C ATOM 363 O THR A 24 -6.046 1.356 8.745 1.00 0.00 O ATOM 364 CB THR A 24 -8.439 2.122 10.816 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.262 0.704 10.853 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.923 2.447 11.053 1.00 0.00 C ATOM 0 H THR A 24 -8.258 1.241 7.983 1.00 0.00 H new ATOM 0 HA THR A 24 -8.061 3.785 9.469 1.00 0.00 H new ATOM 0 HB THR A 24 -7.863 2.598 11.609 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.603 0.354 11.702 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.242 2.019 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.059 3.528 11.078 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.521 2.025 10.246 1.00 0.00 H new ATOM 374 N PRO A 25 -5.442 3.244 9.855 1.00 0.00 N ATOM 375 CA PRO A 25 -3.990 2.913 9.920 1.00 0.00 C ATOM 376 C PRO A 25 -3.703 1.546 10.595 1.00 0.00 C ATOM 377 O PRO A 25 -2.825 0.798 10.157 1.00 0.00 O ATOM 378 CB PRO A 25 -3.393 4.083 10.748 1.00 0.00 C ATOM 379 CG PRO A 25 -4.317 5.227 10.476 1.00 0.00 C ATOM 380 CD PRO A 25 -5.704 4.619 10.365 1.00 0.00 C ATOM 0 HA PRO A 25 -3.555 2.812 8.926 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.357 3.843 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.373 4.311 10.439 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.275 5.963 11.279 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.041 5.743 9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.212 4.599 11.329 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.337 5.186 9.683 1.00 0.00 H new ATOM 388 N GLU A 26 -4.506 1.222 11.626 1.00 0.00 N ATOM 389 CA GLU A 26 -4.316 0.024 12.469 1.00 0.00 C ATOM 390 C GLU A 26 -4.745 -1.277 11.749 1.00 0.00 C ATOM 391 O GLU A 26 -4.226 -2.357 12.070 1.00 0.00 O ATOM 392 CB GLU A 26 -5.091 0.209 13.805 1.00 0.00 C ATOM 393 CG GLU A 26 -4.573 1.384 14.662 1.00 0.00 C ATOM 394 CD GLU A 26 -5.421 1.680 15.917 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.656 1.850 15.786 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.856 1.791 17.029 1.00 0.00 O ATOM 0 H GLU A 26 -5.310 1.787 11.900 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.251 -0.081 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.146 0.369 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.023 -0.711 14.385 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.550 1.169 14.972 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.536 2.281 14.043 1.00 0.00 H new ATOM 403 N SER A 27 -5.665 -1.172 10.761 1.00 0.00 N ATOM 404 CA SER A 27 -6.192 -2.355 10.039 1.00 0.00 C ATOM 405 C SER A 27 -5.171 -2.880 9.007 1.00 0.00 C ATOM 406 O SER A 27 -4.432 -2.099 8.399 1.00 0.00 O ATOM 407 CB SER A 27 -7.541 -2.025 9.349 1.00 0.00 C ATOM 408 OG SER A 27 -7.436 -0.951 8.430 1.00 0.00 O ATOM 0 H SER A 27 -6.056 -0.284 10.446 1.00 0.00 H new ATOM 0 HA SER A 27 -6.364 -3.141 10.774 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.904 -2.910 8.827 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.282 -1.777 10.109 1.00 0.00 H new ATOM 0 HG SER A 27 -6.869 -0.248 8.811 1.00 0.00 H new ATOM 414 N HIS A 28 -5.137 -4.212 8.845 1.00 0.00 N ATOM 415 CA HIS A 28 -4.263 -4.922 7.890 1.00 0.00 C ATOM 416 C HIS A 28 -5.023 -5.115 6.564 1.00 0.00 C ATOM 417 O HIS A 28 -6.189 -5.523 6.588 1.00 0.00 O ATOM 418 CB HIS A 28 -3.863 -6.297 8.499 1.00 0.00 C ATOM 419 CG HIS A 28 -2.767 -7.048 7.773 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.927 -7.507 6.493 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.533 -7.411 8.211 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.800 -8.132 6.194 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.927 -8.101 7.200 1.00 0.00 N ATOM 0 H HIS A 28 -5.729 -4.842 9.386 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.359 -4.345 7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.546 -6.138 9.530 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.750 -6.930 8.532 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -1.109 -7.194 9.180 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.610 -8.611 5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.007 -8.511 7.213 1.00 0.00 H new ATOM 431 N ALA A 29 -4.384 -4.775 5.422 1.00 0.00 N ATOM 432 CA ALA A 29 -4.957 -4.985 4.070 1.00 0.00 C ATOM 433 C ALA A 29 -5.478 -6.423 3.875 1.00 0.00 C ATOM 434 O ALA A 29 -6.660 -6.615 3.599 1.00 0.00 O ATOM 435 CB ALA A 29 -3.932 -4.638 2.975 1.00 0.00 C ATOM 0 H ALA A 29 -3.458 -4.348 5.410 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.809 -4.310 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.378 -4.801 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.637 -3.593 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.054 -5.274 3.084 1.00 0.00 H new ATOM 441 N ILE A 30 -4.604 -7.428 4.070 1.00 0.00 N ATOM 442 CA ILE A 30 -4.968 -8.841 3.831 1.00 0.00 C ATOM 443 C ILE A 30 -5.945 -9.347 4.911 1.00 0.00 C ATOM 444 O ILE A 30 -7.019 -9.859 4.590 1.00 0.00 O ATOM 445 CB ILE A 30 -3.707 -9.783 3.758 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.689 -9.262 2.693 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.109 -11.250 3.459 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.437 -10.108 2.525 1.00 0.00 C ATOM 0 H ILE A 30 -3.645 -7.291 4.391 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.460 -8.876 2.859 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.225 -9.765 4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.196 -9.197 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.390 -8.250 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.214 -11.871 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.766 -11.615 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.630 -11.297 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.796 -9.662 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.899 -10.153 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.717 -11.116 2.218 1.00 0.00 H new ATOM 460 N ASP A 31 -5.574 -9.159 6.191 1.00 0.00 N ATOM 461 CA ASP A 31 -6.308 -9.753 7.336 1.00 0.00 C ATOM 462 C ASP A 31 -7.685 -9.096 7.546 1.00 0.00 C ATOM 463 O ASP A 31 -8.701 -9.785 7.577 1.00 0.00 O ATOM 464 CB ASP A 31 -5.465 -9.671 8.634 1.00 0.00 C ATOM 465 CG ASP A 31 -6.164 -10.326 9.847 1.00 0.00 C ATOM 466 OD1 ASP A 31 -6.173 -11.571 9.933 1.00 0.00 O ATOM 467 OD2 ASP A 31 -6.717 -9.604 10.712 1.00 0.00 O ATOM 0 H ASP A 31 -4.767 -8.598 6.464 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.480 -10.802 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.504 -10.158 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.258 -8.625 8.861 1.00 0.00 H new ATOM 472 N ASP A 32 -7.707 -7.766 7.689 1.00 0.00 N ATOM 473 CA ASP A 32 -8.940 -7.027 8.032 1.00 0.00 C ATOM 474 C ASP A 32 -9.756 -6.705 6.771 1.00 0.00 C ATOM 475 O ASP A 32 -10.897 -7.159 6.635 1.00 0.00 O ATOM 476 CB ASP A 32 -8.592 -5.730 8.804 1.00 0.00 C ATOM 477 CG ASP A 32 -9.831 -5.011 9.369 1.00 0.00 C ATOM 478 OD1 ASP A 32 -10.420 -5.512 10.352 1.00 0.00 O ATOM 479 OD2 ASP A 32 -10.230 -3.955 8.836 1.00 0.00 O ATOM 0 H ASP A 32 -6.885 -7.173 7.573 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.551 -7.661 8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.915 -5.973 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.057 -5.051 8.139 1.00 0.00 H new ATOM 484 N LEU A 33 -9.145 -5.938 5.842 1.00 0.00 N ATOM 485 CA LEU A 33 -9.828 -5.459 4.622 1.00 0.00 C ATOM 486 C LEU A 33 -10.140 -6.624 3.659 1.00 0.00 C ATOM 487 O LEU A 33 -11.127 -6.579 2.929 1.00 0.00 O ATOM 488 CB LEU A 33 -8.973 -4.390 3.895 1.00 0.00 C ATOM 489 CG LEU A 33 -8.588 -3.115 4.713 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.800 -2.138 3.823 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.827 -2.438 5.346 1.00 0.00 C ATOM 0 H LEU A 33 -8.173 -5.636 5.916 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.770 -5.007 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.053 -4.865 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.515 -4.071 3.005 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.949 -3.422 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.536 -1.252 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.891 -2.623 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.414 -1.846 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.514 -1.556 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.521 -2.141 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.320 -3.139 6.020 1.00 0.00 H new ATOM 503 N GLY A 34 -9.286 -7.663 3.672 1.00 0.00 N ATOM 504 CA GLY A 34 -9.451 -8.826 2.782 1.00 0.00 C ATOM 505 C GLY A 34 -8.677 -8.695 1.471 1.00 0.00 C ATOM 506 O GLY A 34 -8.740 -9.592 0.626 1.00 0.00 O ATOM 0 H GLY A 34 -8.475 -7.721 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.120 -9.724 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.510 -8.958 2.560 1.00 0.00 H new ATOM 510 N ILE A 35 -7.949 -7.570 1.315 1.00 0.00 N ATOM 511 CA ILE A 35 -7.107 -7.291 0.130 1.00 0.00 C ATOM 512 C ILE A 35 -5.967 -8.316 0.038 1.00 0.00 C ATOM 513 O ILE A 35 -4.993 -8.228 0.778 1.00 0.00 O ATOM 514 CB ILE A 35 -6.480 -5.843 0.183 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.584 -4.750 0.273 1.00 0.00 C ATOM 516 CG2 ILE A 35 -5.539 -5.582 -1.029 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.036 -3.337 0.437 1.00 0.00 C ATOM 0 H ILE A 35 -7.928 -6.824 2.011 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.752 -7.360 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.877 -5.786 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.197 -4.790 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.239 -4.976 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.126 -4.576 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.727 -6.309 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.104 -5.678 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.864 -2.630 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.447 -3.279 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.405 -3.090 -0.417 1.00 0.00 H new ATOM 529 N ASP A 36 -6.101 -9.273 -0.880 1.00 0.00 N ATOM 530 CA ASP A 36 -5.064 -10.290 -1.139 1.00 0.00 C ATOM 531 C ASP A 36 -3.938 -9.662 -1.987 1.00 0.00 C ATOM 532 O ASP A 36 -4.118 -8.573 -2.543 1.00 0.00 O ATOM 533 CB ASP A 36 -5.713 -11.500 -1.872 1.00 0.00 C ATOM 534 CG ASP A 36 -4.761 -12.697 -2.037 1.00 0.00 C ATOM 535 OD1 ASP A 36 -4.613 -13.488 -1.086 1.00 0.00 O ATOM 536 OD2 ASP A 36 -4.120 -12.825 -3.099 1.00 0.00 O ATOM 0 H ASP A 36 -6.928 -9.371 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.632 -10.643 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.595 -11.821 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.054 -11.179 -2.856 1.00 0.00 H new ATOM 541 N SER A 37 -2.788 -10.350 -2.100 1.00 0.00 N ATOM 542 CA SER A 37 -1.672 -9.929 -2.972 1.00 0.00 C ATOM 543 C SER A 37 -2.104 -9.810 -4.465 1.00 0.00 C ATOM 544 O SER A 37 -1.411 -9.168 -5.261 1.00 0.00 O ATOM 545 CB SER A 37 -0.500 -10.924 -2.824 1.00 0.00 C ATOM 546 OG SER A 37 0.663 -10.483 -3.510 1.00 0.00 O ATOM 0 H SER A 37 -2.604 -11.214 -1.590 1.00 0.00 H new ATOM 0 HA SER A 37 -1.353 -8.936 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.269 -11.057 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.801 -11.898 -3.210 1.00 0.00 H new ATOM 0 HG SER A 37 0.401 -9.933 -4.278 1.00 0.00 H new ATOM 552 N LEU A 38 -3.261 -10.421 -4.824 1.00 0.00 N ATOM 553 CA LEU A 38 -3.862 -10.331 -6.168 1.00 0.00 C ATOM 554 C LEU A 38 -4.684 -9.045 -6.305 1.00 0.00 C ATOM 555 O LEU A 38 -4.638 -8.371 -7.340 1.00 0.00 O ATOM 556 CB LEU A 38 -4.766 -11.563 -6.454 1.00 0.00 C ATOM 557 CG LEU A 38 -4.050 -12.947 -6.463 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.039 -14.091 -6.780 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.848 -12.943 -7.432 1.00 0.00 C ATOM 0 H LEU A 38 -3.804 -10.994 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.051 -10.315 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.557 -11.590 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.248 -11.419 -7.421 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.661 -13.129 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.507 -15.043 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.824 -14.113 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.484 -13.926 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.367 -13.921 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.195 -12.723 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.132 -12.182 -7.121 1.00 0.00 H new ATOM 571 N ASP A 39 -5.434 -8.713 -5.246 1.00 0.00 N ATOM 572 CA ASP A 39 -6.277 -7.502 -5.206 1.00 0.00 C ATOM 573 C ASP A 39 -5.388 -6.253 -5.244 1.00 0.00 C ATOM 574 O ASP A 39 -5.676 -5.275 -5.946 1.00 0.00 O ATOM 575 CB ASP A 39 -7.133 -7.497 -3.916 1.00 0.00 C ATOM 576 CG ASP A 39 -8.218 -6.404 -3.906 1.00 0.00 C ATOM 577 OD1 ASP A 39 -7.931 -5.243 -3.532 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.369 -6.705 -4.284 1.00 0.00 O ATOM 0 H ASP A 39 -5.476 -9.272 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.939 -7.499 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.608 -8.471 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.479 -7.357 -3.055 1.00 0.00 H new ATOM 583 N PHE A 40 -4.276 -6.339 -4.503 1.00 0.00 N ATOM 584 CA PHE A 40 -3.323 -5.243 -4.342 1.00 0.00 C ATOM 585 C PHE A 40 -2.582 -4.926 -5.660 1.00 0.00 C ATOM 586 O PHE A 40 -1.994 -3.865 -5.765 1.00 0.00 O ATOM 587 CB PHE A 40 -2.325 -5.522 -3.179 1.00 0.00 C ATOM 588 CG PHE A 40 -1.757 -4.230 -2.560 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.487 -3.531 -1.596 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.545 -3.681 -2.987 1.00 0.00 C ATOM 591 CE1 PHE A 40 -2.018 -2.347 -1.073 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.086 -2.489 -2.468 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.823 -1.822 -1.516 1.00 0.00 C ATOM 0 H PHE A 40 -4.013 -7.183 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.897 -4.355 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.829 -6.100 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.503 -6.134 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.433 -3.925 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.040 -4.197 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.587 -1.829 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.853 -2.078 -2.809 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.464 -0.885 -1.115 1.00 0.00 H new ATOM 603 N LEU A 41 -2.575 -5.866 -6.640 1.00 0.00 N ATOM 604 CA LEU A 41 -1.933 -5.647 -7.969 1.00 0.00 C ATOM 605 C LEU A 41 -2.481 -4.360 -8.642 1.00 0.00 C ATOM 606 O LEU A 41 -1.713 -3.522 -9.131 1.00 0.00 O ATOM 607 CB LEU A 41 -2.174 -6.868 -8.900 1.00 0.00 C ATOM 608 CG LEU A 41 -1.493 -8.209 -8.477 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.976 -9.388 -9.350 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.046 -8.088 -8.517 1.00 0.00 C ATOM 0 H LEU A 41 -3.006 -6.785 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.862 -5.529 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.248 -7.038 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.827 -6.609 -9.900 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.789 -8.416 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.482 -10.305 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.055 -9.501 -9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.732 -9.192 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.493 -9.036 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.365 -7.839 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.367 -7.303 -7.832 1.00 0.00 H new ATOM 622 N ASP A 42 -3.823 -4.218 -8.603 1.00 0.00 N ATOM 623 CA ASP A 42 -4.543 -3.074 -9.203 1.00 0.00 C ATOM 624 C ASP A 42 -4.305 -1.792 -8.373 1.00 0.00 C ATOM 625 O ASP A 42 -4.132 -0.703 -8.930 1.00 0.00 O ATOM 626 CB ASP A 42 -6.061 -3.396 -9.319 1.00 0.00 C ATOM 627 CG ASP A 42 -6.821 -2.442 -10.263 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.706 -2.604 -11.495 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.524 -1.526 -9.796 1.00 0.00 O ATOM 0 H ASP A 42 -4.439 -4.895 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.156 -2.899 -10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.181 -4.419 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.511 -3.349 -8.328 1.00 0.00 H new ATOM 634 N ILE A 43 -4.252 -1.948 -7.031 1.00 0.00 N ATOM 635 CA ILE A 43 -4.017 -0.824 -6.090 1.00 0.00 C ATOM 636 C ILE A 43 -2.599 -0.244 -6.278 1.00 0.00 C ATOM 637 O ILE A 43 -2.423 0.969 -6.297 1.00 0.00 O ATOM 638 CB ILE A 43 -4.213 -1.267 -4.588 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.623 -1.909 -4.386 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.994 -0.076 -3.611 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.931 -2.346 -2.965 1.00 0.00 C ATOM 0 H ILE A 43 -4.370 -2.850 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.756 -0.055 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.458 -2.019 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.381 -1.192 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.709 -2.774 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.137 -0.416 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.981 0.309 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.711 0.714 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.931 -2.779 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.201 -3.090 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.883 -1.483 -2.301 1.00 0.00 H new ATOM 653 N ALA A 44 -1.624 -1.150 -6.462 1.00 0.00 N ATOM 654 CA ALA A 44 -0.194 -0.800 -6.642 1.00 0.00 C ATOM 655 C ALA A 44 0.005 -0.021 -7.952 1.00 0.00 C ATOM 656 O ALA A 44 0.804 0.901 -8.015 1.00 0.00 O ATOM 657 CB ALA A 44 0.684 -2.066 -6.627 1.00 0.00 C ATOM 0 H ALA A 44 -1.801 -2.154 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 44 0.111 -0.165 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.729 -1.786 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.565 -2.580 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.380 -2.729 -7.437 1.00 0.00 H new ATOM 663 N PHE A 45 -0.788 -0.394 -8.973 1.00 0.00 N ATOM 664 CA PHE A 45 -0.815 0.298 -10.278 1.00 0.00 C ATOM 665 C PHE A 45 -1.369 1.725 -10.131 1.00 0.00 C ATOM 666 O PHE A 45 -0.843 2.674 -10.725 1.00 0.00 O ATOM 667 CB PHE A 45 -1.646 -0.522 -11.301 1.00 0.00 C ATOM 668 CG PHE A 45 -1.700 0.086 -12.706 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.535 0.230 -13.462 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.900 0.532 -13.260 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.574 0.789 -14.724 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.937 1.092 -14.522 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.774 1.222 -15.252 1.00 0.00 C ATOM 0 H PHE A 45 -1.430 -1.185 -8.918 1.00 0.00 H new ATOM 0 HA PHE A 45 0.206 0.378 -10.650 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.227 -1.526 -11.369 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.663 -0.626 -10.924 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.409 -0.100 -13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.814 0.438 -12.693 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.335 0.888 -15.299 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.876 1.428 -14.937 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.802 1.663 -16.238 1.00 0.00 H new ATOM 683 N ALA A 46 -2.433 1.853 -9.332 1.00 0.00 N ATOM 684 CA ALA A 46 -3.068 3.148 -9.038 1.00 0.00 C ATOM 685 C ALA A 46 -2.131 4.065 -8.210 1.00 0.00 C ATOM 686 O ALA A 46 -2.159 5.285 -8.367 1.00 0.00 O ATOM 687 CB ALA A 46 -4.394 2.910 -8.311 1.00 0.00 C ATOM 0 H ALA A 46 -2.881 1.062 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.265 3.664 -9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.866 3.868 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.054 2.316 -8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.207 2.376 -7.379 1.00 0.00 H new ATOM 693 N ILE A 47 -1.307 3.451 -7.343 1.00 0.00 N ATOM 694 CA ILE A 47 -0.311 4.158 -6.500 1.00 0.00 C ATOM 695 C ILE A 47 0.877 4.655 -7.360 1.00 0.00 C ATOM 696 O ILE A 47 1.381 5.772 -7.146 1.00 0.00 O ATOM 697 CB ILE A 47 0.174 3.210 -5.327 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.002 2.963 -4.325 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.432 3.749 -4.591 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.761 1.878 -3.284 1.00 0.00 C ATOM 0 H ILE A 47 -1.309 2.441 -7.202 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.779 5.036 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 47 0.473 2.263 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.217 3.898 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.893 2.703 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.715 3.056 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.255 3.846 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.210 4.724 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.637 1.789 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.580 0.927 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.107 2.140 -2.679 1.00 0.00 H new ATOM 712 N ASP A 48 1.298 3.812 -8.332 1.00 0.00 N ATOM 713 CA ASP A 48 2.315 4.168 -9.359 1.00 0.00 C ATOM 714 C ASP A 48 1.950 5.486 -10.069 1.00 0.00 C ATOM 715 O ASP A 48 2.782 6.389 -10.221 1.00 0.00 O ATOM 716 CB ASP A 48 2.457 3.027 -10.429 1.00 0.00 C ATOM 717 CG ASP A 48 3.369 1.852 -10.028 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.418 1.483 -8.841 1.00 0.00 O ATOM 719 OD2 ASP A 48 4.029 1.272 -10.925 1.00 0.00 O ATOM 0 H ASP A 48 0.942 2.861 -8.429 1.00 0.00 H new ATOM 0 HA ASP A 48 3.266 4.294 -8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.464 2.635 -10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.840 3.463 -11.351 1.00 0.00 H new ATOM 724 N LYS A 49 0.682 5.564 -10.486 1.00 0.00 N ATOM 725 CA LYS A 49 0.130 6.709 -11.222 1.00 0.00 C ATOM 726 C LYS A 49 -0.002 7.941 -10.305 1.00 0.00 C ATOM 727 O LYS A 49 0.536 9.005 -10.615 1.00 0.00 O ATOM 728 CB LYS A 49 -1.250 6.327 -11.816 1.00 0.00 C ATOM 729 CG LYS A 49 -1.215 5.147 -12.818 1.00 0.00 C ATOM 730 CD LYS A 49 -2.625 4.687 -13.253 1.00 0.00 C ATOM 731 CE LYS A 49 -3.433 5.792 -13.958 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.818 5.363 -14.249 1.00 0.00 N ATOM 0 H LYS A 49 -0.000 4.824 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 49 0.812 6.967 -12.032 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.925 6.073 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.670 7.200 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.646 5.442 -13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.688 4.307 -12.365 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.531 3.832 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.176 4.346 -12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.453 6.683 -13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.936 6.068 -14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.328 6.135 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.800 4.528 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.301 5.124 -13.360 1.00 0.00 H new ATOM 746 N ALA A 50 -0.676 7.739 -9.152 1.00 0.00 N ATOM 747 CA ALA A 50 -1.098 8.826 -8.239 1.00 0.00 C ATOM 748 C ALA A 50 0.097 9.652 -7.737 1.00 0.00 C ATOM 749 O ALA A 50 0.167 10.865 -7.958 1.00 0.00 O ATOM 750 CB ALA A 50 -1.875 8.234 -7.048 1.00 0.00 C ATOM 0 H ALA A 50 -0.945 6.811 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.745 9.500 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.183 9.038 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.757 7.708 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.235 7.537 -6.507 1.00 0.00 H new ATOM 756 N PHE A 51 1.054 8.964 -7.109 1.00 0.00 N ATOM 757 CA PHE A 51 2.224 9.596 -6.471 1.00 0.00 C ATOM 758 C PHE A 51 3.339 9.882 -7.493 1.00 0.00 C ATOM 759 O PHE A 51 4.269 10.647 -7.200 1.00 0.00 O ATOM 760 CB PHE A 51 2.762 8.682 -5.337 1.00 0.00 C ATOM 761 CG PHE A 51 1.749 8.402 -4.221 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.775 7.413 -4.360 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.772 9.135 -3.037 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.138 7.167 -3.355 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.863 8.884 -2.034 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.091 7.904 -2.194 1.00 0.00 C ATOM 0 H PHE A 51 1.044 7.947 -7.025 1.00 0.00 H new ATOM 0 HA PHE A 51 1.905 10.550 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.080 7.734 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.647 9.146 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.735 6.831 -5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.512 9.910 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.887 6.399 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.898 9.457 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.804 7.713 -1.406 1.00 0.00 H new ATOM 776 N GLY A 52 3.240 9.260 -8.684 1.00 0.00 N ATOM 777 CA GLY A 52 4.296 9.332 -9.694 1.00 0.00 C ATOM 778 C GLY A 52 5.535 8.538 -9.275 1.00 0.00 C ATOM 779 O GLY A 52 6.666 8.910 -9.601 1.00 0.00 O ATOM 0 H GLY A 52 2.433 8.702 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.920 8.946 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.570 10.374 -9.860 1.00 0.00 H new ATOM 783 N ILE A 53 5.303 7.448 -8.511 1.00 0.00 N ATOM 784 CA ILE A 53 6.355 6.524 -8.021 1.00 0.00 C ATOM 785 C ILE A 53 6.183 5.148 -8.676 1.00 0.00 C ATOM 786 O ILE A 53 5.415 4.993 -9.624 1.00 0.00 O ATOM 787 CB ILE A 53 6.312 6.361 -6.443 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.965 5.711 -5.963 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.556 7.712 -5.744 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.900 5.409 -4.471 1.00 0.00 C ATOM 0 H ILE A 53 4.366 7.179 -8.212 1.00 0.00 H new ATOM 0 HA ILE A 53 7.320 6.953 -8.291 1.00 0.00 H new ATOM 0 HB ILE A 53 7.117 5.683 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.143 6.379 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.808 4.784 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.522 7.574 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.535 8.098 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.785 8.421 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.935 4.963 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.697 4.714 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.022 6.334 -3.907 1.00 0.00 H new ATOM 802 N LYS A 54 6.941 4.161 -8.193 1.00 0.00 N ATOM 803 CA LYS A 54 6.668 2.749 -8.447 1.00 0.00 C ATOM 804 C LYS A 54 6.639 2.025 -7.100 1.00 0.00 C ATOM 805 O LYS A 54 7.641 2.021 -6.380 1.00 0.00 O ATOM 806 CB LYS A 54 7.730 2.125 -9.386 1.00 0.00 C ATOM 807 CG LYS A 54 7.456 0.642 -9.714 1.00 0.00 C ATOM 808 CD LYS A 54 8.491 0.016 -10.674 1.00 0.00 C ATOM 809 CE LYS A 54 8.149 -1.447 -11.029 1.00 0.00 C ATOM 810 NZ LYS A 54 9.127 -2.036 -11.979 1.00 0.00 N ATOM 0 H LYS A 54 7.764 4.322 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 54 5.707 2.647 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.765 2.695 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.712 2.212 -8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.443 0.071 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.464 0.554 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.540 0.608 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.479 0.055 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.125 -2.044 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.151 -1.490 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.858 -3.018 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.132 -1.483 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.076 -2.020 -11.554 1.00 0.00 H new ATOM 824 N LEU A 55 5.464 1.497 -6.728 1.00 0.00 N ATOM 825 CA LEU A 55 5.341 0.518 -5.650 1.00 0.00 C ATOM 826 C LEU A 55 5.659 -0.854 -6.273 1.00 0.00 C ATOM 827 O LEU A 55 4.816 -1.395 -6.998 1.00 0.00 O ATOM 828 CB LEU A 55 3.907 0.559 -5.016 1.00 0.00 C ATOM 829 CG LEU A 55 3.690 -0.245 -3.668 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.409 0.214 -2.957 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.651 -1.790 -3.859 1.00 0.00 C ATOM 0 H LEU A 55 4.576 1.739 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 55 6.031 0.733 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.648 1.602 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.200 0.179 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 55 4.561 -0.021 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.282 -0.353 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.483 1.276 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.551 0.045 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.500 -2.272 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.832 -2.053 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.594 -2.127 -4.289 1.00 0.00 H new ATOM 843 N PRO A 56 6.870 -1.452 -6.015 1.00 0.00 N ATOM 844 CA PRO A 56 7.219 -2.757 -6.575 1.00 0.00 C ATOM 845 C PRO A 56 6.591 -3.885 -5.736 1.00 0.00 C ATOM 846 O PRO A 56 7.207 -4.416 -4.812 1.00 0.00 O ATOM 847 CB PRO A 56 8.770 -2.739 -6.553 1.00 0.00 C ATOM 848 CG PRO A 56 9.121 -1.888 -5.360 1.00 0.00 C ATOM 849 CD PRO A 56 7.958 -0.923 -5.146 1.00 0.00 C ATOM 0 HA PRO A 56 6.842 -2.940 -7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.177 -3.745 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.175 -2.318 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.277 -2.507 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.048 -1.342 -5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.653 -0.895 -4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.230 0.095 -5.426 1.00 0.00 H new ATOM 857 N LEU A 57 5.326 -4.215 -6.054 1.00 0.00 N ATOM 858 CA LEU A 57 4.589 -5.293 -5.370 1.00 0.00 C ATOM 859 C LEU A 57 5.192 -6.659 -5.740 1.00 0.00 C ATOM 860 O LEU A 57 5.083 -7.614 -4.978 1.00 0.00 O ATOM 861 CB LEU A 57 3.074 -5.247 -5.690 1.00 0.00 C ATOM 862 CG LEU A 57 2.196 -6.276 -4.900 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.299 -6.069 -3.365 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.742 -6.230 -5.375 1.00 0.00 C ATOM 0 H LEU A 57 4.790 -3.747 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 57 4.691 -5.143 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.705 -4.243 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.939 -5.421 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 57 2.588 -7.271 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.675 -6.803 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.335 -6.193 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.960 -5.065 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.152 -6.953 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.339 -5.230 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.698 -6.474 -6.436 1.00 0.00 H new ATOM 876 N GLU A 58 5.855 -6.714 -6.911 1.00 0.00 N ATOM 877 CA GLU A 58 6.677 -7.861 -7.337 1.00 0.00 C ATOM 878 C GLU A 58 7.752 -8.198 -6.276 1.00 0.00 C ATOM 879 O GLU A 58 8.019 -9.371 -6.002 1.00 0.00 O ATOM 880 CB GLU A 58 7.344 -7.543 -8.701 1.00 0.00 C ATOM 881 CG GLU A 58 8.182 -6.240 -8.710 1.00 0.00 C ATOM 882 CD GLU A 58 8.821 -5.912 -10.065 1.00 0.00 C ATOM 883 OE1 GLU A 58 8.159 -5.274 -10.912 1.00 0.00 O ATOM 884 OE2 GLU A 58 9.988 -6.294 -10.291 1.00 0.00 O ATOM 0 H GLU A 58 5.834 -5.956 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 58 6.031 -8.733 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.987 -8.377 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.568 -7.468 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.543 -5.409 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.969 -6.322 -7.960 1.00 0.00 H new ATOM 891 N LYS A 59 8.322 -7.137 -5.677 1.00 0.00 N ATOM 892 CA LYS A 59 9.298 -7.224 -4.593 1.00 0.00 C ATOM 893 C LYS A 59 8.611 -7.623 -3.279 1.00 0.00 C ATOM 894 O LYS A 59 9.036 -8.565 -2.640 1.00 0.00 O ATOM 895 CB LYS A 59 10.034 -5.861 -4.436 1.00 0.00 C ATOM 896 CG LYS A 59 10.937 -5.741 -3.189 1.00 0.00 C ATOM 897 CD LYS A 59 11.621 -4.362 -3.076 1.00 0.00 C ATOM 898 CE LYS A 59 12.401 -4.201 -1.763 1.00 0.00 C ATOM 899 NZ LYS A 59 13.412 -5.274 -1.569 1.00 0.00 N ATOM 0 H LYS A 59 8.107 -6.176 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 59 10.030 -7.993 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.643 -5.691 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.289 -5.066 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.340 -5.919 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.700 -6.518 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.300 -4.226 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.866 -3.578 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.899 -3.231 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.703 -4.208 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.187 -4.918 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.966 -6.091 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.791 -5.565 -2.493 1.00 0.00 H new ATOM 913 N TRP A 60 7.529 -6.909 -2.916 1.00 0.00 N ATOM 914 CA TRP A 60 6.855 -7.040 -1.594 1.00 0.00 C ATOM 915 C TRP A 60 6.270 -8.450 -1.378 1.00 0.00 C ATOM 916 O TRP A 60 6.445 -9.044 -0.307 1.00 0.00 O ATOM 917 CB TRP A 60 5.751 -5.968 -1.445 1.00 0.00 C ATOM 918 CG TRP A 60 6.250 -4.540 -1.355 1.00 0.00 C ATOM 919 CD1 TRP A 60 7.474 -4.037 -1.724 1.00 0.00 C ATOM 920 CD2 TRP A 60 5.514 -3.432 -0.845 1.00 0.00 C ATOM 921 NE1 TRP A 60 7.521 -2.693 -1.487 1.00 0.00 N ATOM 922 CE2 TRP A 60 6.334 -2.296 -0.949 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.232 -3.294 -0.323 1.00 0.00 C ATOM 924 CZ2 TRP A 60 5.922 -1.040 -0.534 1.00 0.00 C ATOM 925 CZ3 TRP A 60 3.822 -2.048 0.092 1.00 0.00 C ATOM 926 CH2 TRP A 60 4.660 -0.928 -0.023 1.00 0.00 C ATOM 0 H TRP A 60 7.090 -6.221 -3.528 1.00 0.00 H new ATOM 0 HA TRP A 60 7.612 -6.883 -0.826 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.073 -6.047 -2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.169 -6.190 -0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.282 -4.620 -2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.316 -2.085 -1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.573 -4.146 -0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.574 -0.182 -0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.835 -1.929 0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.301 0.039 0.298 1.00 0.00 H new ATOM 937 N THR A 61 5.558 -8.947 -2.403 1.00 0.00 N ATOM 938 CA THR A 61 5.081 -10.340 -2.472 1.00 0.00 C ATOM 939 C THR A 61 6.246 -11.344 -2.296 1.00 0.00 C ATOM 940 O THR A 61 6.142 -12.294 -1.517 1.00 0.00 O ATOM 941 CB THR A 61 4.357 -10.581 -3.841 1.00 0.00 C ATOM 942 OG1 THR A 61 3.312 -9.607 -4.004 1.00 0.00 O ATOM 943 CG2 THR A 61 3.751 -11.993 -3.969 1.00 0.00 C ATOM 0 H THR A 61 5.294 -8.389 -3.215 1.00 0.00 H new ATOM 0 HA THR A 61 4.378 -10.503 -1.656 1.00 0.00 H new ATOM 0 HB THR A 61 5.114 -10.484 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.445 -10.021 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.265 -12.094 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.542 -12.738 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.017 -12.147 -3.178 1.00 0.00 H new ATOM 951 N GLN A 62 7.375 -11.077 -2.982 1.00 0.00 N ATOM 952 CA GLN A 62 8.585 -11.925 -2.951 1.00 0.00 C ATOM 953 C GLN A 62 9.278 -11.884 -1.562 1.00 0.00 C ATOM 954 O GLN A 62 9.850 -12.873 -1.140 1.00 0.00 O ATOM 955 CB GLN A 62 9.551 -11.484 -4.087 1.00 0.00 C ATOM 956 CG GLN A 62 10.897 -12.240 -4.172 1.00 0.00 C ATOM 957 CD GLN A 62 10.789 -13.741 -4.457 1.00 0.00 C ATOM 958 OE1 GLN A 62 11.636 -14.520 -4.018 1.00 0.00 O ATOM 959 NE2 GLN A 62 9.786 -14.166 -5.222 1.00 0.00 N ATOM 0 H GLN A 62 7.474 -10.257 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 62 8.293 -12.962 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.034 -11.598 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.762 -10.422 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.503 -11.782 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.431 -12.103 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.096 -13.502 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.707 -15.156 -5.456 1.00 0.00 H new ATOM 968 N GLU A 63 9.204 -10.733 -0.864 1.00 0.00 N ATOM 969 CA GLU A 63 9.718 -10.563 0.518 1.00 0.00 C ATOM 970 C GLU A 63 9.057 -11.577 1.470 1.00 0.00 C ATOM 971 O GLU A 63 9.729 -12.243 2.259 1.00 0.00 O ATOM 972 CB GLU A 63 9.420 -9.125 1.027 1.00 0.00 C ATOM 973 CG GLU A 63 10.115 -7.968 0.276 1.00 0.00 C ATOM 974 CD GLU A 63 11.606 -7.819 0.605 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.944 -7.719 1.803 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.438 -7.755 -0.321 1.00 0.00 O ATOM 0 H GLU A 63 8.783 -9.885 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 63 10.795 -10.732 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.343 -8.963 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.705 -9.069 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.004 -8.126 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.605 -7.035 0.515 1.00 0.00 H new ATOM 983 N VAL A 64 7.727 -11.689 1.348 1.00 0.00 N ATOM 984 CA VAL A 64 6.919 -12.614 2.159 1.00 0.00 C ATOM 985 C VAL A 64 7.230 -14.077 1.775 1.00 0.00 C ATOM 986 O VAL A 64 7.541 -14.904 2.642 1.00 0.00 O ATOM 987 CB VAL A 64 5.382 -12.309 1.995 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.510 -13.286 2.835 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.078 -10.821 2.341 1.00 0.00 C ATOM 0 H VAL A 64 7.180 -11.141 0.684 1.00 0.00 H new ATOM 0 HA VAL A 64 7.180 -12.469 3.207 1.00 0.00 H new ATOM 0 HB VAL A 64 5.117 -12.470 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.456 -13.044 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.694 -14.310 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.768 -13.189 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.011 -10.630 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.369 -10.620 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.640 -10.170 1.672 1.00 0.00 H new ATOM 999 N ASN A 65 7.191 -14.347 0.454 1.00 0.00 N ATOM 1000 CA ASN A 65 7.372 -15.698 -0.122 1.00 0.00 C ATOM 1001 C ASN A 65 8.772 -16.278 0.153 1.00 0.00 C ATOM 1002 O ASN A 65 8.910 -17.485 0.376 1.00 0.00 O ATOM 1003 CB ASN A 65 7.109 -15.676 -1.658 1.00 0.00 C ATOM 1004 CG ASN A 65 5.655 -15.386 -2.036 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.729 -15.717 -1.306 1.00 0.00 O ATOM 1006 ND2 ASN A 65 5.447 -14.784 -3.193 1.00 0.00 N ATOM 0 H ASN A 65 7.031 -13.627 -0.251 1.00 0.00 H new ATOM 0 HA ASN A 65 6.645 -16.345 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.750 -14.922 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.398 -16.639 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.495 -14.583 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.238 -14.520 -3.780 1.00 0.00 H new ATOM 1013 N ASP A 66 9.808 -15.432 0.137 1.00 0.00 N ATOM 1014 CA ASP A 66 11.222 -15.834 0.320 1.00 0.00 C ATOM 1015 C ASP A 66 11.672 -15.656 1.792 1.00 0.00 C ATOM 1016 O ASP A 66 12.798 -16.016 2.162 1.00 0.00 O ATOM 1017 CB ASP A 66 12.095 -14.984 -0.650 1.00 0.00 C ATOM 1018 CG ASP A 66 13.577 -15.380 -0.672 1.00 0.00 C ATOM 1019 OD1 ASP A 66 13.884 -16.499 -1.125 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.433 -14.585 -0.228 1.00 0.00 O ATOM 0 H ASP A 66 9.693 -14.429 -0.006 1.00 0.00 H new ATOM 0 HA ASP A 66 11.340 -16.893 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.691 -15.075 -1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.015 -13.934 -0.368 1.00 0.00 H new ATOM 1025 N GLY A 67 10.781 -15.067 2.611 1.00 0.00 N ATOM 1026 CA GLY A 67 10.998 -14.909 4.052 1.00 0.00 C ATOM 1027 C GLY A 67 12.044 -13.859 4.405 1.00 0.00 C ATOM 1028 O GLY A 67 12.811 -14.029 5.354 1.00 0.00 O ATOM 0 H GLY A 67 9.891 -14.689 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.053 -14.641 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.303 -15.868 4.471 1.00 0.00 H new ATOM 1032 N LYS A 68 12.114 -12.790 3.595 1.00 0.00 N ATOM 1033 CA LYS A 68 12.909 -11.589 3.914 1.00 0.00 C ATOM 1034 C LYS A 68 12.119 -10.629 4.818 1.00 0.00 C ATOM 1035 O LYS A 68 12.712 -9.861 5.584 1.00 0.00 O ATOM 1036 CB LYS A 68 13.339 -10.875 2.606 1.00 0.00 C ATOM 1037 CG LYS A 68 14.202 -11.706 1.614 1.00 0.00 C ATOM 1038 CD LYS A 68 15.651 -12.011 2.104 1.00 0.00 C ATOM 1039 CE LYS A 68 15.753 -13.218 3.065 1.00 0.00 C ATOM 1040 NZ LYS A 68 15.300 -14.491 2.438 1.00 0.00 N ATOM 0 H LYS A 68 11.623 -12.732 2.703 1.00 0.00 H new ATOM 0 HA LYS A 68 13.802 -11.901 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.440 -10.548 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.896 -9.978 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.694 -12.650 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.259 -11.170 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.285 -12.197 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.047 -11.127 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.786 -13.328 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.153 -13.022 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.430 -14.817 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.113 -14.333 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.041 -15.213 2.544 1.00 0.00 H new ATOM 1054 N ALA A 69 10.779 -10.716 4.750 1.00 0.00 N ATOM 1055 CA ALA A 69 9.882 -9.783 5.445 1.00 0.00 C ATOM 1056 C ALA A 69 8.485 -10.389 5.597 1.00 0.00 C ATOM 1057 O ALA A 69 8.168 -11.420 4.992 1.00 0.00 O ATOM 1058 CB ALA A 69 9.829 -8.433 4.710 1.00 0.00 C ATOM 0 H ALA A 69 10.291 -11.433 4.213 1.00 0.00 H new ATOM 0 HA ALA A 69 10.277 -9.603 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.159 -7.756 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.828 -8.000 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.462 -8.585 3.695 1.00 0.00 H new ATOM 1064 N THR A 70 7.661 -9.723 6.419 1.00 0.00 N ATOM 1065 CA THR A 70 6.312 -10.189 6.781 1.00 0.00 C ATOM 1066 C THR A 70 5.234 -9.365 6.052 1.00 0.00 C ATOM 1067 O THR A 70 5.505 -8.268 5.534 1.00 0.00 O ATOM 1068 CB THR A 70 6.104 -10.078 8.331 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.220 -8.702 8.751 1.00 0.00 O ATOM 1070 CG2 THR A 70 7.118 -10.947 9.108 1.00 0.00 C ATOM 0 H THR A 70 7.914 -8.837 6.856 1.00 0.00 H new ATOM 0 HA THR A 70 6.217 -11.231 6.476 1.00 0.00 H new ATOM 0 HB THR A 70 5.103 -10.447 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.087 -8.643 9.720 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.941 -10.843 10.179 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.998 -11.991 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.131 -10.621 8.874 1.00 0.00 H new ATOM 1078 N THR A 71 4.003 -9.911 6.033 1.00 0.00 N ATOM 1079 CA THR A 71 2.822 -9.207 5.501 1.00 0.00 C ATOM 1080 C THR A 71 2.460 -8.006 6.389 1.00 0.00 C ATOM 1081 O THR A 71 1.948 -7.007 5.894 1.00 0.00 O ATOM 1082 CB THR A 71 1.576 -10.149 5.380 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.309 -10.773 6.648 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.767 -11.228 4.299 1.00 0.00 C ATOM 0 H THR A 71 3.800 -10.847 6.384 1.00 0.00 H new ATOM 0 HA THR A 71 3.088 -8.862 4.502 1.00 0.00 H new ATOM 0 HB THR A 71 0.728 -9.532 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.528 -11.359 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.878 -11.857 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.926 -10.750 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.633 -11.842 4.547 1.00 0.00 H new ATOM 1092 N GLU A 72 2.712 -8.126 7.709 1.00 0.00 N ATOM 1093 CA GLU A 72 2.476 -7.037 8.671 1.00 0.00 C ATOM 1094 C GLU A 72 3.381 -5.820 8.372 1.00 0.00 C ATOM 1095 O GLU A 72 2.932 -4.674 8.466 1.00 0.00 O ATOM 1096 CB GLU A 72 2.679 -7.539 10.132 1.00 0.00 C ATOM 1097 CG GLU A 72 2.370 -6.481 11.216 1.00 0.00 C ATOM 1098 CD GLU A 72 2.476 -7.002 12.659 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.596 -7.023 13.211 1.00 0.00 O ATOM 1100 OE2 GLU A 72 1.439 -7.397 13.242 1.00 0.00 O ATOM 0 H GLU A 72 3.083 -8.976 8.133 1.00 0.00 H new ATOM 0 HA GLU A 72 1.441 -6.713 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.042 -8.408 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.710 -7.872 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.055 -5.642 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.363 -6.096 11.054 1.00 0.00 H new ATOM 1107 N GLN A 73 4.647 -6.087 7.978 1.00 0.00 N ATOM 1108 CA GLN A 73 5.639 -5.023 7.693 1.00 0.00 C ATOM 1109 C GLN A 73 5.201 -4.124 6.517 1.00 0.00 C ATOM 1110 O GLN A 73 5.562 -2.945 6.456 1.00 0.00 O ATOM 1111 CB GLN A 73 7.037 -5.633 7.411 1.00 0.00 C ATOM 1112 CG GLN A 73 8.168 -4.583 7.271 1.00 0.00 C ATOM 1113 CD GLN A 73 9.560 -5.189 7.105 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.253 -5.458 8.087 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.984 -5.394 5.873 1.00 0.00 N ATOM 0 H GLN A 73 5.007 -7.033 7.850 1.00 0.00 H new ATOM 0 HA GLN A 73 5.700 -4.397 8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.291 -6.320 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.987 -6.222 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.955 -3.947 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.165 -3.941 8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.384 -5.160 5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.911 -5.787 5.712 1.00 0.00 H new ATOM 1124 N TYR A 74 4.440 -4.700 5.580 1.00 0.00 N ATOM 1125 CA TYR A 74 3.947 -3.962 4.402 1.00 0.00 C ATOM 1126 C TYR A 74 2.436 -3.674 4.497 1.00 0.00 C ATOM 1127 O TYR A 74 2.031 -2.541 4.731 1.00 0.00 O ATOM 1128 CB TYR A 74 4.296 -4.742 3.108 1.00 0.00 C ATOM 1129 CG TYR A 74 5.808 -4.907 2.907 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.618 -3.792 2.694 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.422 -6.157 2.965 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.981 -3.915 2.550 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.785 -6.284 2.812 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.563 -5.164 2.607 1.00 0.00 C ATOM 1135 OH TYR A 74 9.931 -5.286 2.485 1.00 0.00 O ATOM 0 H TYR A 74 4.149 -5.677 5.611 1.00 0.00 H new ATOM 0 HA TYR A 74 4.446 -2.994 4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.829 -5.726 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.874 -4.220 2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.167 -2.812 2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.821 -7.038 3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.592 -3.038 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.244 -7.261 2.853 1.00 0.00 H new ATOM 0 HH TYR A 74 10.182 -6.231 2.548 1.00 0.00 H new ATOM 1145 N PHE A 75 1.629 -4.728 4.349 1.00 0.00 N ATOM 1146 CA PHE A 75 0.174 -4.641 4.094 1.00 0.00 C ATOM 1147 C PHE A 75 -0.656 -3.952 5.218 1.00 0.00 C ATOM 1148 O PHE A 75 -1.767 -3.505 4.930 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.378 -6.053 3.781 1.00 0.00 C ATOM 1150 CG PHE A 75 0.179 -6.677 2.491 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.410 -7.341 2.479 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.543 -6.617 1.297 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.908 -7.903 1.317 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.048 -7.182 0.134 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.174 -7.831 0.146 1.00 0.00 C ATOM 0 H PHE A 75 1.968 -5.689 4.403 1.00 0.00 H new ATOM 0 HA PHE A 75 0.057 -3.983 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.151 -6.713 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.464 -5.997 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.981 -7.416 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.503 -6.122 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.868 -8.397 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.616 -7.116 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.555 -8.281 -0.759 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.157 -3.861 6.485 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.841 -3.018 7.514 1.00 0.00 C ATOM 1167 C VAL A 76 -0.815 -1.565 7.025 1.00 0.00 C ATOM 1168 O VAL A 76 0.250 -1.071 6.724 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.193 -3.103 8.945 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.926 -2.184 9.955 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.177 -4.551 9.458 1.00 0.00 C ATOM 0 H VAL A 76 0.683 -4.340 6.811 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.857 -3.396 7.625 1.00 0.00 H new ATOM 0 HB VAL A 76 0.836 -2.755 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.452 -2.267 10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.872 -1.151 9.612 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.970 -2.487 10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.276 -4.581 10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.198 -4.928 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.402 -5.173 8.775 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.976 -0.900 6.973 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.152 0.358 6.212 1.00 0.00 C ATOM 1183 C LEU A 77 -1.204 1.496 6.666 1.00 0.00 C ATOM 1184 O LEU A 77 -0.782 2.301 5.835 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.621 0.821 6.269 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.682 -0.179 5.710 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.082 0.462 5.694 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.285 -0.710 4.313 1.00 0.00 C ATOM 0 H LEU A 77 -2.821 -1.211 7.453 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.880 0.131 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.871 1.041 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.707 1.756 5.716 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.715 -1.038 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.805 -0.253 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.365 0.744 6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.069 1.350 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.047 -1.403 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.200 0.125 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.327 -1.227 4.379 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.902 1.567 7.982 1.00 0.00 N ATOM 1201 CA LYS A 78 0.110 2.517 8.514 1.00 0.00 C ATOM 1202 C LYS A 78 1.535 2.186 7.996 1.00 0.00 C ATOM 1203 O LYS A 78 2.292 3.091 7.627 1.00 0.00 O ATOM 1204 CB LYS A 78 0.082 2.548 10.067 1.00 0.00 C ATOM 1205 CG LYS A 78 0.382 1.201 10.755 1.00 0.00 C ATOM 1206 CD LYS A 78 0.308 1.285 12.290 1.00 0.00 C ATOM 1207 CE LYS A 78 0.570 -0.065 12.978 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.953 -0.570 12.757 1.00 0.00 N ATOM 0 H LYS A 78 -1.340 0.983 8.694 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.152 3.509 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.807 3.284 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.900 2.892 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.327 0.452 10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.376 0.862 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.036 2.015 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.677 1.650 12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.393 0.038 14.049 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.144 -0.801 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.051 -1.512 13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.141 -0.633 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.635 0.082 13.195 1.00 0.00 H new ATOM 1222 N ASN A 79 1.869 0.882 7.941 1.00 0.00 N ATOM 1223 CA ASN A 79 3.186 0.404 7.465 1.00 0.00 C ATOM 1224 C ASN A 79 3.319 0.647 5.960 1.00 0.00 C ATOM 1225 O ASN A 79 4.340 1.128 5.502 1.00 0.00 O ATOM 1226 CB ASN A 79 3.381 -1.101 7.774 1.00 0.00 C ATOM 1227 CG ASN A 79 3.514 -1.413 9.259 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.932 -0.750 10.104 1.00 0.00 O ATOM 1229 ND2 ASN A 79 4.293 -2.427 9.587 1.00 0.00 N ATOM 0 H ASN A 79 1.238 0.132 8.223 1.00 0.00 H new ATOM 0 HA ASN A 79 3.959 0.963 7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.535 -1.658 7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.272 -1.456 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.422 -2.675 10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.766 -2.963 8.859 1.00 0.00 H new ATOM 1236 N LEU A 80 2.268 0.276 5.224 1.00 0.00 N ATOM 1237 CA LEU A 80 2.082 0.547 3.791 1.00 0.00 C ATOM 1238 C LEU A 80 2.310 2.034 3.470 1.00 0.00 C ATOM 1239 O LEU A 80 3.072 2.375 2.564 1.00 0.00 O ATOM 1240 CB LEU A 80 0.636 0.107 3.402 1.00 0.00 C ATOM 1241 CG LEU A 80 0.135 0.458 1.967 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.046 -0.138 0.884 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.333 0.008 1.781 1.00 0.00 C ATOM 0 H LEU A 80 1.488 -0.244 5.626 1.00 0.00 H new ATOM 0 HA LEU A 80 2.814 -0.015 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.569 -0.974 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.055 0.553 4.117 1.00 0.00 H new ATOM 0 HG LEU A 80 0.177 1.541 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.663 0.129 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.055 0.257 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.067 -1.223 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.666 0.261 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.404 -1.070 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.964 0.516 2.510 1.00 0.00 H new ATOM 1255 N ALA A 81 1.666 2.893 4.272 1.00 0.00 N ATOM 1256 CA ALA A 81 1.765 4.359 4.152 1.00 0.00 C ATOM 1257 C ALA A 81 3.194 4.856 4.421 1.00 0.00 C ATOM 1258 O ALA A 81 3.615 5.854 3.849 1.00 0.00 O ATOM 1259 CB ALA A 81 0.784 5.031 5.117 1.00 0.00 C ATOM 0 H ALA A 81 1.055 2.589 5.030 1.00 0.00 H new ATOM 0 HA ALA A 81 1.508 4.627 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.864 6.114 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.233 4.720 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.022 4.738 6.140 1.00 0.00 H new ATOM 1265 N ALA A 82 3.907 4.139 5.307 1.00 0.00 N ATOM 1266 CA ALA A 82 5.302 4.455 5.674 1.00 0.00 C ATOM 1267 C ALA A 82 6.286 4.048 4.554 1.00 0.00 C ATOM 1268 O ALA A 82 7.240 4.773 4.265 1.00 0.00 O ATOM 1269 CB ALA A 82 5.681 3.764 6.995 1.00 0.00 C ATOM 0 H ALA A 82 3.533 3.322 5.791 1.00 0.00 H new ATOM 0 HA ALA A 82 5.374 5.534 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.712 4.008 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.019 4.109 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.580 2.684 6.883 1.00 0.00 H new ATOM 1275 N ARG A 83 6.061 2.858 3.967 1.00 0.00 N ATOM 1276 CA ARG A 83 6.861 2.337 2.842 1.00 0.00 C ATOM 1277 C ARG A 83 6.706 3.220 1.590 1.00 0.00 C ATOM 1278 O ARG A 83 7.677 3.486 0.893 1.00 0.00 O ATOM 1279 CB ARG A 83 6.449 0.874 2.506 1.00 0.00 C ATOM 1280 CG ARG A 83 6.601 -0.159 3.656 1.00 0.00 C ATOM 1281 CD ARG A 83 8.000 -0.126 4.300 1.00 0.00 C ATOM 1282 NE ARG A 83 9.091 -0.273 3.310 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.395 -0.035 3.546 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.811 0.370 4.739 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.277 -0.171 2.570 1.00 0.00 N ATOM 0 H ARG A 83 5.315 2.227 4.261 1.00 0.00 H new ATOM 0 HA ARG A 83 7.907 2.352 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.408 0.876 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.046 0.535 1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.849 0.039 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.407 -1.159 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.126 0.815 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.074 -0.925 5.037 1.00 0.00 H new ATOM 0 HE ARG A 83 8.834 -0.580 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.139 0.506 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.803 0.546 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.969 -0.456 1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.265 0.009 2.747 1.00 0.00 H new ATOM 1299 N ILE A 84 5.468 3.655 1.324 1.00 0.00 N ATOM 1300 CA ILE A 84 5.155 4.575 0.210 1.00 0.00 C ATOM 1301 C ILE A 84 5.706 5.978 0.504 1.00 0.00 C ATOM 1302 O ILE A 84 6.211 6.639 -0.391 1.00 0.00 O ATOM 1303 CB ILE A 84 3.611 4.608 -0.077 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.152 3.201 -0.565 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.205 5.722 -1.086 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.662 3.060 -0.803 1.00 0.00 C ATOM 0 H ILE A 84 4.652 3.382 1.871 1.00 0.00 H new ATOM 0 HA ILE A 84 5.643 4.206 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 84 3.100 4.857 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.676 2.965 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.459 2.459 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.127 5.695 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.489 6.696 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.715 5.557 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.442 2.047 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.125 3.259 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.346 3.773 -1.565 1.00 0.00 H new ATOM 1318 N ASP A 85 5.602 6.416 1.772 1.00 0.00 N ATOM 1319 CA ASP A 85 6.275 7.646 2.270 1.00 0.00 C ATOM 1320 C ASP A 85 7.792 7.618 1.990 1.00 0.00 C ATOM 1321 O ASP A 85 8.392 8.646 1.651 1.00 0.00 O ATOM 1322 CB ASP A 85 6.011 7.811 3.782 1.00 0.00 C ATOM 1323 CG ASP A 85 6.677 9.044 4.411 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.146 10.156 4.253 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.720 8.898 5.084 1.00 0.00 O ATOM 0 H ASP A 85 5.053 5.934 2.484 1.00 0.00 H new ATOM 0 HA ASP A 85 5.859 8.499 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.935 7.871 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.364 6.919 4.300 1.00 0.00 H new ATOM 1330 N GLU A 86 8.381 6.431 2.136 1.00 0.00 N ATOM 1331 CA GLU A 86 9.794 6.194 1.843 1.00 0.00 C ATOM 1332 C GLU A 86 10.060 6.300 0.323 1.00 0.00 C ATOM 1333 O GLU A 86 11.027 6.919 -0.081 1.00 0.00 O ATOM 1334 CB GLU A 86 10.198 4.801 2.377 1.00 0.00 C ATOM 1335 CG GLU A 86 11.704 4.490 2.323 1.00 0.00 C ATOM 1336 CD GLU A 86 12.550 5.416 3.211 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.493 5.278 4.449 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.265 6.294 2.685 1.00 0.00 O ATOM 0 H GLU A 86 7.887 5.601 2.463 1.00 0.00 H new ATOM 0 HA GLU A 86 10.398 6.954 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.862 4.714 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.666 4.042 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.865 3.457 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.048 4.573 1.292 1.00 0.00 H new ATOM 1345 N LEU A 87 9.179 5.682 -0.498 1.00 0.00 N ATOM 1346 CA LEU A 87 9.284 5.677 -1.986 1.00 0.00 C ATOM 1347 C LEU A 87 9.135 7.093 -2.601 1.00 0.00 C ATOM 1348 O LEU A 87 9.863 7.446 -3.536 1.00 0.00 O ATOM 1349 CB LEU A 87 8.225 4.714 -2.601 1.00 0.00 C ATOM 1350 CG LEU A 87 8.357 3.203 -2.213 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.187 2.371 -2.782 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.730 2.619 -2.635 1.00 0.00 C ATOM 0 H LEU A 87 8.369 5.169 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 87 10.286 5.324 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.235 5.059 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.278 4.795 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 87 8.304 3.142 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.309 1.327 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.245 2.749 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.180 2.449 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.782 1.569 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.846 2.706 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.528 3.171 -2.139 1.00 0.00 H new ATOM 1364 N VAL A 88 8.177 7.889 -2.079 1.00 0.00 N ATOM 1365 CA VAL A 88 7.897 9.256 -2.580 1.00 0.00 C ATOM 1366 C VAL A 88 9.034 10.220 -2.183 1.00 0.00 C ATOM 1367 O VAL A 88 9.342 11.176 -2.908 1.00 0.00 O ATOM 1368 CB VAL A 88 6.495 9.818 -2.084 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.333 8.872 -2.477 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.475 10.113 -0.558 1.00 0.00 C ATOM 0 H VAL A 88 7.578 7.606 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 88 7.844 9.188 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 88 6.349 10.770 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.390 9.287 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.299 8.769 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.492 7.893 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.494 10.494 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.681 9.195 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.236 10.857 -0.321 1.00 0.00 H new ATOM 1380 N ALA A 89 9.640 9.948 -1.017 1.00 0.00 N ATOM 1381 CA ALA A 89 10.798 10.702 -0.528 1.00 0.00 C ATOM 1382 C ALA A 89 12.050 10.328 -1.333 1.00 0.00 C ATOM 1383 O ALA A 89 12.858 11.192 -1.659 1.00 0.00 O ATOM 1384 CB ALA A 89 11.015 10.434 0.966 1.00 0.00 C ATOM 0 H ALA A 89 9.340 9.201 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 89 10.607 11.767 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.878 11.000 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.130 10.741 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.192 9.370 1.123 1.00 0.00 H new ATOM 1390 N ALA A 90 12.208 9.017 -1.608 1.00 0.00 N ATOM 1391 CA ALA A 90 13.325 8.457 -2.398 1.00 0.00 C ATOM 1392 C ALA A 90 13.378 9.017 -3.827 1.00 0.00 C ATOM 1393 O ALA A 90 14.470 9.327 -4.327 1.00 0.00 O ATOM 1394 CB ALA A 90 13.238 6.924 -2.437 1.00 0.00 C ATOM 0 H ALA A 90 11.553 8.306 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 90 14.246 8.758 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.067 6.527 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.290 6.531 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.295 6.625 -2.895 1.00 0.00 H new