USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 98 LYS NZ :NH3+ -162:sc= 1.54 (180deg=0.322) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.661 K(o=2.2,f=-2.4) USER MOD Set 2.1: A 77 SER OG : rot -160:sc= 0.325 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.352 X(o=0.68,f=0.22) USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 177:sc= 0 (180deg=-0.0292) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -72:sc= 1.29 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 64:sc= 0.252 USER MOD Single : A 65 SER OG : rot -83:sc= 1.27 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=4.19e-05 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -17:sc= 0.945 USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.13) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 50:sc= 0.801 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= 0.994 (180deg=0.814) USER MOD Single : A 96 ASN : amide:sc= 0.972 K(o=0.97,f=-0.51) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -61:sc= 0.701 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.922) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -2.506 14.049 0.425 1.00 0.00 N ATOM 106 CA GLY A 19 -3.745 13.402 0.881 1.00 0.00 C ATOM 107 C GLY A 19 -3.510 12.055 1.571 1.00 0.00 C ATOM 108 O GLY A 19 -2.479 11.407 1.386 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.262 14.069 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.404 13.254 0.026 1.00 0.00 H new ATOM 112 N ASP A 20 -4.504 11.590 2.328 1.00 0.00 N ATOM 113 CA ASP A 20 -4.447 10.341 3.099 1.00 0.00 C ATOM 114 C ASP A 20 -5.755 9.527 2.968 1.00 0.00 C ATOM 115 O ASP A 20 -6.828 10.094 2.746 1.00 0.00 O ATOM 116 CB ASP A 20 -4.203 10.660 4.586 1.00 0.00 C ATOM 117 CG ASP A 20 -2.938 11.496 4.859 1.00 0.00 C ATOM 118 OD1 ASP A 20 -1.838 10.902 4.966 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.055 12.733 5.026 1.00 0.00 O ATOM 0 H ASP A 20 -5.393 12.080 2.427 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.629 9.743 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.068 11.195 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.131 9.723 5.139 1.00 0.00 H new ATOM 124 N ALA A 21 -5.673 8.201 3.145 1.00 0.00 N ATOM 125 CA ALA A 21 -6.781 7.248 2.992 1.00 0.00 C ATOM 126 C ALA A 21 -6.537 5.958 3.812 1.00 0.00 C ATOM 127 O ALA A 21 -6.366 4.852 3.287 1.00 0.00 O ATOM 128 CB ALA A 21 -6.987 6.990 1.494 1.00 0.00 C ATOM 0 H ALA A 21 -4.799 7.745 3.409 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.702 7.666 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.806 6.284 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.228 7.928 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.074 6.575 1.067 1.00 0.00 H new ATOM 134 N ASN A 22 -6.495 6.125 5.139 1.00 0.00 N ATOM 135 CA ASN A 22 -6.389 5.054 6.139 1.00 0.00 C ATOM 136 C ASN A 22 -5.126 4.186 5.939 1.00 0.00 C ATOM 137 O ASN A 22 -4.032 4.593 6.341 1.00 0.00 O ATOM 138 CB ASN A 22 -7.710 4.254 6.210 1.00 0.00 C ATOM 139 CG ASN A 22 -8.897 5.131 6.604 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.029 5.551 7.749 1.00 0.00 O ATOM 141 ND2 ASN A 22 -9.785 5.445 5.675 1.00 0.00 N ATOM 0 H ASN A 22 -6.536 7.051 5.565 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.248 5.504 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.906 3.794 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.604 3.444 6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.581 6.037 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.673 5.095 4.724 1.00 0.00 H new ATOM 148 N ILE A 23 -5.258 2.999 5.328 1.00 0.00 N ATOM 149 CA ILE A 23 -4.155 2.033 5.127 1.00 0.00 C ATOM 150 C ILE A 23 -3.213 2.480 3.991 1.00 0.00 C ATOM 151 O ILE A 23 -2.055 2.059 3.968 1.00 0.00 O ATOM 152 CB ILE A 23 -4.733 0.603 4.937 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.587 0.210 6.171 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.625 -0.452 4.723 1.00 0.00 C ATOM 155 CD1 ILE A 23 -6.301 -1.142 6.058 1.00 0.00 C ATOM 0 H ILE A 23 -6.148 2.673 4.951 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.530 2.005 6.020 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.353 0.622 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.942 0.192 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.334 0.986 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.078 -1.435 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.049 -0.199 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.965 -0.467 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.872 -1.329 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.976 -1.126 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.563 -1.933 5.924 1.00 0.00 H new ATOM 167 N PHE A 24 -3.657 3.374 3.094 1.00 0.00 N ATOM 168 CA PHE A 24 -2.785 4.024 2.121 1.00 0.00 C ATOM 169 C PHE A 24 -2.836 5.554 2.222 1.00 0.00 C ATOM 170 O PHE A 24 -3.736 6.126 2.829 1.00 0.00 O ATOM 171 CB PHE A 24 -3.101 3.514 0.711 1.00 0.00 C ATOM 172 CG PHE A 24 -4.450 3.905 0.140 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.602 3.172 0.481 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.551 4.996 -0.746 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.851 3.533 -0.048 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.802 5.360 -1.272 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.954 4.629 -0.921 1.00 0.00 C ATOM 0 H PHE A 24 -4.633 3.662 3.028 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.754 3.754 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.326 3.876 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.035 2.426 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.525 2.329 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.667 5.552 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.733 2.968 0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.880 6.201 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.916 4.911 -1.323 1.00 0.00 H new ATOM 187 N ARG A 25 -1.848 6.230 1.635 1.00 0.00 N ATOM 188 CA ARG A 25 -1.737 7.696 1.554 1.00 0.00 C ATOM 189 C ARG A 25 -1.333 8.088 0.124 1.00 0.00 C ATOM 190 O ARG A 25 -0.825 7.236 -0.606 1.00 0.00 O ATOM 191 CB ARG A 25 -0.717 8.252 2.582 1.00 0.00 C ATOM 192 CG ARG A 25 -0.569 7.498 3.924 1.00 0.00 C ATOM 193 CD ARG A 25 -1.837 7.449 4.793 1.00 0.00 C ATOM 194 NE ARG A 25 -1.716 8.295 5.989 1.00 0.00 N ATOM 195 CZ ARG A 25 -1.944 7.965 7.255 1.00 0.00 C ATOM 196 NH1 ARG A 25 -2.392 6.780 7.616 1.00 0.00 N ATOM 197 NH2 ARG A 25 -1.723 8.859 8.193 1.00 0.00 N ATOM 0 H ARG A 25 -1.067 5.755 1.182 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.705 8.134 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.262 8.280 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.992 9.283 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.252 6.476 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.228 7.968 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.694 7.775 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.031 6.420 5.095 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.419 9.257 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.579 6.069 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.552 6.574 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.382 9.787 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.892 8.624 9.171 1.00 0.00 H new ATOM 211 N VAL A 26 -1.534 9.344 -0.276 1.00 0.00 N ATOM 212 CA VAL A 26 -1.184 9.837 -1.627 1.00 0.00 C ATOM 213 C VAL A 26 -0.361 11.130 -1.598 1.00 0.00 C ATOM 214 O VAL A 26 -0.777 12.134 -1.023 1.00 0.00 O ATOM 215 CB VAL A 26 -2.440 9.968 -2.520 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.498 10.971 -2.022 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.066 10.305 -3.973 1.00 0.00 C ATOM 0 H VAL A 26 -1.946 10.059 0.324 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.536 9.084 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.902 8.982 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.338 10.989 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.850 10.669 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.056 11.966 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.973 10.390 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.524 11.250 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.435 9.514 -4.379 1.00 0.00 H new ATOM 227 N ASP A 27 0.799 11.108 -2.258 1.00 0.00 N ATOM 228 CA ASP A 27 1.641 12.285 -2.493 1.00 0.00 C ATOM 229 C ASP A 27 1.340 12.890 -3.872 1.00 0.00 C ATOM 230 O ASP A 27 1.528 12.244 -4.906 1.00 0.00 O ATOM 231 CB ASP A 27 3.125 11.926 -2.364 1.00 0.00 C ATOM 232 CG ASP A 27 4.009 13.180 -2.488 1.00 0.00 C ATOM 233 OD1 ASP A 27 4.301 13.603 -3.631 1.00 0.00 O ATOM 234 OD2 ASP A 27 4.384 13.747 -1.433 1.00 0.00 O ATOM 0 H ASP A 27 1.189 10.252 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 27 1.411 13.032 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.304 11.444 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.397 11.207 -3.137 1.00 0.00 H new ATOM 239 N LYS A 28 0.871 14.142 -3.872 1.00 0.00 N ATOM 240 CA LYS A 28 0.377 14.840 -5.068 1.00 0.00 C ATOM 241 C LYS A 28 1.463 15.618 -5.844 1.00 0.00 C ATOM 242 O LYS A 28 1.245 15.973 -7.005 1.00 0.00 O ATOM 243 CB LYS A 28 -0.765 15.779 -4.633 1.00 0.00 C ATOM 244 CG LYS A 28 -2.004 15.011 -4.141 1.00 0.00 C ATOM 245 CD LYS A 28 -3.106 15.987 -3.696 1.00 0.00 C ATOM 246 CE LYS A 28 -4.392 15.269 -3.252 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.160 14.701 -4.398 1.00 0.00 N ATOM 0 H LYS A 28 0.822 14.711 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 28 0.024 14.085 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.409 16.435 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.046 16.417 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.380 14.369 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.729 14.361 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.734 16.598 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.338 16.665 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.135 14.467 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.025 15.970 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.016 14.229 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.431 15.467 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.569 14.011 -4.904 1.00 0.00 H new ATOM 261 N ASP A 29 2.626 15.878 -5.236 1.00 0.00 N ATOM 262 CA ASP A 29 3.748 16.586 -5.873 1.00 0.00 C ATOM 263 C ASP A 29 4.547 15.650 -6.796 1.00 0.00 C ATOM 264 O ASP A 29 4.769 15.966 -7.965 1.00 0.00 O ATOM 265 CB ASP A 29 4.674 17.185 -4.803 1.00 0.00 C ATOM 266 CG ASP A 29 4.030 18.352 -4.041 1.00 0.00 C ATOM 267 OD1 ASP A 29 3.734 19.394 -4.675 1.00 0.00 O ATOM 268 OD2 ASP A 29 3.859 18.242 -2.803 1.00 0.00 O ATOM 0 H ASP A 29 2.819 15.600 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 29 3.335 17.390 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.954 16.406 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.593 17.530 -5.277 1.00 0.00 H new ATOM 273 N SER A 30 4.948 14.486 -6.284 1.00 0.00 N ATOM 274 CA SER A 30 5.706 13.466 -7.024 1.00 0.00 C ATOM 275 C SER A 30 4.809 12.372 -7.640 1.00 0.00 C ATOM 276 O SER A 30 5.308 11.518 -8.379 1.00 0.00 O ATOM 277 CB SER A 30 6.755 12.830 -6.096 1.00 0.00 C ATOM 278 OG SER A 30 7.722 13.788 -5.669 1.00 0.00 O ATOM 0 H SER A 30 4.752 14.216 -5.320 1.00 0.00 H new ATOM 0 HA SER A 30 6.195 13.971 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.260 12.399 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.255 12.013 -6.616 1.00 0.00 H new ATOM 0 HG SER A 30 8.374 13.354 -5.079 1.00 0.00 H new ATOM 284 N ARG A 31 3.496 12.390 -7.348 1.00 0.00 N ATOM 285 CA ARG A 31 2.457 11.500 -7.879 1.00 0.00 C ATOM 286 C ARG A 31 2.702 10.036 -7.466 1.00 0.00 C ATOM 287 O ARG A 31 2.843 9.140 -8.303 1.00 0.00 O ATOM 288 CB ARG A 31 2.290 11.715 -9.392 1.00 0.00 C ATOM 289 CG ARG A 31 1.957 13.177 -9.746 1.00 0.00 C ATOM 290 CD ARG A 31 1.742 13.381 -11.251 1.00 0.00 C ATOM 291 NE ARG A 31 2.957 13.089 -12.040 1.00 0.00 N ATOM 292 CZ ARG A 31 4.026 13.869 -12.192 1.00 0.00 C ATOM 293 NH1 ARG A 31 4.132 15.044 -11.607 1.00 0.00 N ATOM 294 NH2 ARG A 31 5.020 13.463 -12.951 1.00 0.00 N ATOM 0 H ARG A 31 3.112 13.071 -6.693 1.00 0.00 H new ATOM 0 HA ARG A 31 1.498 11.758 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.208 11.421 -9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.498 11.065 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.059 13.482 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.766 13.823 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.930 12.738 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.432 14.410 -11.434 1.00 0.00 H new ATOM 0 HE ARG A 31 2.979 12.190 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.378 15.387 -11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.968 15.611 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.968 12.557 -13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.843 14.054 -13.073 1.00 0.00 H new ATOM 308 N GLU A 32 2.785 9.808 -6.154 1.00 0.00 N ATOM 309 CA GLU A 32 3.179 8.535 -5.524 1.00 0.00 C ATOM 310 C GLU A 32 2.094 8.059 -4.544 1.00 0.00 C ATOM 311 O GLU A 32 1.342 8.886 -4.030 1.00 0.00 O ATOM 312 CB GLU A 32 4.496 8.710 -4.743 1.00 0.00 C ATOM 313 CG GLU A 32 5.653 9.281 -5.579 1.00 0.00 C ATOM 314 CD GLU A 32 6.936 9.568 -4.767 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.859 9.947 -3.571 1.00 0.00 O ATOM 316 OE2 GLU A 32 8.039 9.532 -5.366 1.00 0.00 O ATOM 0 H GLU A 32 2.572 10.532 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 32 3.310 7.797 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.317 9.369 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.797 7.743 -4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.891 8.579 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.322 10.205 -6.054 1.00 0.00 H new ATOM 323 N VAL A 33 2.030 6.754 -4.243 1.00 0.00 N ATOM 324 CA VAL A 33 1.119 6.199 -3.225 1.00 0.00 C ATOM 325 C VAL A 33 1.878 5.368 -2.186 1.00 0.00 C ATOM 326 O VAL A 33 2.770 4.587 -2.499 1.00 0.00 O ATOM 327 CB VAL A 33 -0.065 5.406 -3.827 1.00 0.00 C ATOM 328 CG1 VAL A 33 -1.032 6.331 -4.566 1.00 0.00 C ATOM 329 CG2 VAL A 33 0.343 4.244 -4.746 1.00 0.00 C ATOM 0 H VAL A 33 2.610 6.049 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 33 0.679 7.057 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.560 4.957 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.853 5.745 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.428 7.073 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.505 6.836 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.551 3.746 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.923 4.630 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.947 3.531 -4.185 1.00 0.00 H new ATOM 339 N TYR A 34 1.535 5.561 -0.917 1.00 0.00 N ATOM 340 CA TYR A 34 2.212 4.963 0.235 1.00 0.00 C ATOM 341 C TYR A 34 1.275 3.933 0.870 1.00 0.00 C ATOM 342 O TYR A 34 0.231 4.318 1.382 1.00 0.00 O ATOM 343 CB TYR A 34 2.549 6.069 1.255 1.00 0.00 C ATOM 344 CG TYR A 34 3.672 7.034 0.897 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.590 7.869 -0.240 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.787 7.147 1.754 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.630 8.768 -0.542 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.814 8.068 1.475 1.00 0.00 C ATOM 349 CZ TYR A 34 5.747 8.872 0.316 1.00 0.00 C ATOM 350 OH TYR A 34 6.762 9.736 0.029 1.00 0.00 O ATOM 0 H TYR A 34 0.752 6.158 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 34 3.135 4.475 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.645 6.653 1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.805 5.589 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.723 7.817 -0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.853 6.521 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.574 9.379 -1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.654 8.160 2.148 1.00 0.00 H new ATOM 0 HH TYR A 34 7.448 9.678 0.727 1.00 0.00 H new ATOM 360 N MET A 35 1.622 2.644 0.862 1.00 0.00 N ATOM 361 CA MET A 35 0.941 1.620 1.656 1.00 0.00 C ATOM 362 C MET A 35 1.592 1.543 3.040 1.00 0.00 C ATOM 363 O MET A 35 2.790 1.793 3.180 1.00 0.00 O ATOM 364 CB MET A 35 1.011 0.278 0.909 1.00 0.00 C ATOM 365 CG MET A 35 0.175 -0.837 1.556 1.00 0.00 C ATOM 366 SD MET A 35 0.005 -2.338 0.552 1.00 0.00 S ATOM 367 CE MET A 35 1.717 -2.927 0.525 1.00 0.00 C ATOM 0 H MET A 35 2.390 2.279 0.299 1.00 0.00 H new ATOM 0 HA MET A 35 -0.110 1.871 1.796 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.671 0.425 -0.116 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.051 -0.044 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.628 -1.104 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.819 -0.447 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.767 -3.875 -0.011 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.347 -2.192 0.023 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.069 -3.069 1.547 1.00 0.00 H new ATOM 377 N HIS A 36 0.834 1.120 4.051 1.00 0.00 N ATOM 378 CA HIS A 36 1.293 0.965 5.441 1.00 0.00 C ATOM 379 C HIS A 36 2.639 0.209 5.610 1.00 0.00 C ATOM 380 O HIS A 36 3.372 0.467 6.569 1.00 0.00 O ATOM 381 CB HIS A 36 0.156 0.266 6.204 1.00 0.00 C ATOM 382 CG HIS A 36 0.449 0.046 7.664 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.857 -1.163 8.234 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.374 0.996 8.641 1.00 0.00 C ATOM 385 CE1 HIS A 36 1.018 -0.907 9.543 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.735 0.379 9.818 1.00 0.00 N ATOM 0 H HIS A 36 -0.146 0.867 3.927 1.00 0.00 H new ATOM 0 HA HIS A 36 1.512 1.955 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.752 0.862 6.111 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.046 -0.697 5.734 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.087 2.030 8.516 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.332 -1.636 10.276 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.780 0.820 10.737 1.00 0.00 H new ATOM 394 N GLU A 37 2.974 -0.691 4.673 1.00 0.00 N ATOM 395 CA GLU A 37 4.208 -1.488 4.682 1.00 0.00 C ATOM 396 C GLU A 37 5.268 -1.048 3.653 1.00 0.00 C ATOM 397 O GLU A 37 6.416 -1.457 3.813 1.00 0.00 O ATOM 398 CB GLU A 37 3.863 -2.980 4.503 1.00 0.00 C ATOM 399 CG GLU A 37 3.034 -3.500 5.686 1.00 0.00 C ATOM 400 CD GLU A 37 2.836 -5.019 5.600 1.00 0.00 C ATOM 401 OE1 GLU A 37 3.685 -5.770 6.140 1.00 0.00 O ATOM 402 OE2 GLU A 37 1.825 -5.464 5.009 1.00 0.00 O ATOM 0 H GLU A 37 2.379 -0.889 3.869 1.00 0.00 H new ATOM 0 HA GLU A 37 4.671 -1.316 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.307 -3.119 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.781 -3.561 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.533 -3.248 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.063 -3.004 5.699 1.00 0.00 H new ATOM 409 N LYS A 38 4.960 -0.214 2.641 1.00 0.00 N ATOM 410 CA LYS A 38 5.944 0.247 1.629 1.00 0.00 C ATOM 411 C LYS A 38 5.484 1.404 0.716 1.00 0.00 C ATOM 412 O LYS A 38 4.294 1.645 0.532 1.00 0.00 O ATOM 413 CB LYS A 38 6.483 -0.926 0.768 1.00 0.00 C ATOM 414 CG LYS A 38 5.431 -1.696 -0.043 1.00 0.00 C ATOM 415 CD LYS A 38 6.128 -2.478 -1.169 1.00 0.00 C ATOM 416 CE LYS A 38 5.169 -3.497 -1.803 1.00 0.00 C ATOM 417 NZ LYS A 38 5.640 -3.955 -3.149 1.00 0.00 N ATOM 0 H LYS A 38 4.023 0.162 2.498 1.00 0.00 H new ATOM 0 HA LYS A 38 6.747 0.662 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.230 -0.533 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.995 -1.629 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.884 -2.380 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.701 -1.004 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.485 -1.785 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.002 -2.994 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.068 -4.358 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.179 -3.051 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.963 -4.641 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.712 -3.138 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.573 -4.404 -3.056 1.00 0.00 H new ATOM 431 N LYS A 39 6.444 2.079 0.068 1.00 0.00 N ATOM 432 CA LYS A 39 6.191 3.152 -0.916 1.00 0.00 C ATOM 433 C LYS A 39 6.111 2.612 -2.370 1.00 0.00 C ATOM 434 O LYS A 39 6.912 1.752 -2.742 1.00 0.00 O ATOM 435 CB LYS A 39 7.296 4.212 -0.746 1.00 0.00 C ATOM 436 CG LYS A 39 6.835 5.586 -1.249 1.00 0.00 C ATOM 437 CD LYS A 39 7.984 6.593 -1.407 1.00 0.00 C ATOM 438 CE LYS A 39 8.748 6.848 -0.099 1.00 0.00 C ATOM 439 NZ LYS A 39 9.687 7.996 -0.229 1.00 0.00 N ATOM 0 H LYS A 39 7.437 1.895 0.212 1.00 0.00 H new ATOM 0 HA LYS A 39 5.216 3.602 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.576 4.283 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.187 3.903 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.334 5.464 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.099 5.991 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.680 6.225 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.583 7.537 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.039 7.046 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.303 5.952 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.186 8.140 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.378 7.796 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.153 8.855 -0.470 1.00 0.00 H new ATOM 453 N LEU A 40 5.135 3.080 -3.166 1.00 0.00 N ATOM 454 CA LEU A 40 4.825 2.629 -4.538 1.00 0.00 C ATOM 455 C LEU A 40 4.580 3.855 -5.437 1.00 0.00 C ATOM 456 O LEU A 40 3.785 4.738 -5.116 1.00 0.00 O ATOM 457 CB LEU A 40 3.592 1.698 -4.532 1.00 0.00 C ATOM 458 CG LEU A 40 3.661 0.545 -3.507 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.806 0.878 -2.274 1.00 0.00 C ATOM 460 CD2 LEU A 40 3.183 -0.795 -4.073 1.00 0.00 C ATOM 0 H LEU A 40 4.507 3.822 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 40 5.670 2.065 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.703 2.295 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.469 1.274 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 40 4.713 0.443 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.863 0.057 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.178 1.791 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.769 1.022 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.257 -1.563 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.146 -0.704 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.805 -1.073 -4.923 1.00 0.00 H new ATOM 472 N ASP A 41 5.293 3.940 -6.557 1.00 0.00 N ATOM 473 CA ASP A 41 5.633 5.250 -7.146 1.00 0.00 C ATOM 474 C ASP A 41 5.461 5.310 -8.683 1.00 0.00 C ATOM 475 O ASP A 41 6.293 5.892 -9.384 1.00 0.00 O ATOM 476 CB ASP A 41 7.065 5.628 -6.723 1.00 0.00 C ATOM 477 CG ASP A 41 7.328 5.518 -5.216 1.00 0.00 C ATOM 478 OD1 ASP A 41 7.022 6.485 -4.489 1.00 0.00 O ATOM 479 OD2 ASP A 41 7.863 4.471 -4.780 1.00 0.00 O ATOM 0 H ASP A 41 5.646 3.135 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 41 4.921 5.980 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.769 4.984 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.267 6.651 -7.042 1.00 0.00 H new ATOM 484 N LEU A 42 4.401 4.683 -9.219 1.00 0.00 N ATOM 485 CA LEU A 42 4.075 4.732 -10.658 1.00 0.00 C ATOM 486 C LEU A 42 3.371 6.054 -11.048 1.00 0.00 C ATOM 487 O LEU A 42 4.018 7.104 -11.114 1.00 0.00 O ATOM 488 CB LEU A 42 3.340 3.436 -11.119 1.00 0.00 C ATOM 489 CG LEU A 42 4.206 2.371 -11.809 1.00 0.00 C ATOM 490 CD1 LEU A 42 4.906 2.930 -13.058 1.00 0.00 C ATOM 491 CD2 LEU A 42 5.232 1.787 -10.830 1.00 0.00 C ATOM 0 H LEU A 42 3.745 4.128 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 42 5.007 4.745 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.869 2.982 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.540 3.721 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 42 3.542 1.570 -12.135 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.509 2.147 -13.518 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.157 3.277 -13.770 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.549 3.763 -12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.834 1.035 -11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.880 2.583 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.712 1.327 -9.990 1.00 0.00 H new ATOM 503 N THR A 43 2.069 5.990 -11.361 1.00 0.00 N ATOM 504 CA THR A 43 1.317 6.958 -12.188 1.00 0.00 C ATOM 505 C THR A 43 -0.155 6.874 -11.793 1.00 0.00 C ATOM 506 O THR A 43 -0.543 5.909 -11.145 1.00 0.00 O ATOM 507 CB THR A 43 1.530 6.641 -13.691 1.00 0.00 C ATOM 508 OG1 THR A 43 2.912 6.537 -13.974 1.00 0.00 O ATOM 509 CG2 THR A 43 0.982 7.707 -14.649 1.00 0.00 C ATOM 0 H THR A 43 1.479 5.227 -11.031 1.00 0.00 H new ATOM 0 HA THR A 43 1.671 7.975 -12.020 1.00 0.00 H new ATOM 0 HB THR A 43 0.986 5.711 -13.854 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.037 6.335 -14.925 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.174 7.404 -15.678 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.092 7.815 -14.497 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.474 8.660 -14.453 1.00 0.00 H new ATOM 517 N ARG A 44 -0.988 7.839 -12.204 1.00 0.00 N ATOM 518 CA ARG A 44 -2.424 7.934 -11.863 1.00 0.00 C ATOM 519 C ARG A 44 -3.172 6.594 -11.972 1.00 0.00 C ATOM 520 O ARG A 44 -3.914 6.223 -11.065 1.00 0.00 O ATOM 521 CB ARG A 44 -3.140 8.956 -12.765 1.00 0.00 C ATOM 522 CG ARG A 44 -2.844 10.441 -12.475 1.00 0.00 C ATOM 523 CD ARG A 44 -1.626 11.010 -13.216 1.00 0.00 C ATOM 524 NE ARG A 44 -1.554 12.474 -13.056 1.00 0.00 N ATOM 525 CZ ARG A 44 -0.826 13.323 -13.776 1.00 0.00 C ATOM 526 NH1 ARG A 44 -0.006 12.918 -14.724 1.00 0.00 N ATOM 527 NH2 ARG A 44 -0.907 14.613 -13.537 1.00 0.00 N ATOM 0 H ARG A 44 -0.676 8.603 -12.803 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.447 8.253 -10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.870 8.748 -13.800 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.215 8.797 -12.678 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.721 11.031 -12.740 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.690 10.564 -11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.714 10.552 -12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.688 10.758 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.124 12.879 -12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.087 11.923 -14.927 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.536 13.600 -15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.526 14.958 -12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.351 15.269 -14.086 1.00 0.00 H new ATOM 541 N ALA A 45 -2.941 5.839 -13.052 1.00 0.00 N ATOM 542 CA ALA A 45 -3.520 4.510 -13.252 1.00 0.00 C ATOM 543 C ALA A 45 -3.124 3.527 -12.132 1.00 0.00 C ATOM 544 O ALA A 45 -3.993 2.890 -11.539 1.00 0.00 O ATOM 545 CB ALA A 45 -3.094 4.016 -14.640 1.00 0.00 C ATOM 0 H ALA A 45 -2.340 6.139 -13.819 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.607 4.570 -13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.512 3.025 -14.818 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.461 4.706 -15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.006 3.965 -14.690 1.00 0.00 H new ATOM 551 N GLU A 46 -1.843 3.441 -11.772 1.00 0.00 N ATOM 552 CA GLU A 46 -1.379 2.493 -10.755 1.00 0.00 C ATOM 553 C GLU A 46 -1.727 2.930 -9.334 1.00 0.00 C ATOM 554 O GLU A 46 -2.059 2.134 -8.461 1.00 0.00 O ATOM 555 CB GLU A 46 0.127 2.350 -10.873 1.00 0.00 C ATOM 556 CG GLU A 46 0.450 1.378 -11.997 1.00 0.00 C ATOM 557 CD GLU A 46 0.054 1.951 -13.373 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.633 2.988 -13.780 1.00 0.00 O ATOM 559 OE2 GLU A 46 -0.865 1.395 -14.019 1.00 0.00 O ATOM 0 H GLU A 46 -1.104 4.019 -12.171 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.886 1.545 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.582 3.320 -11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.545 1.990 -9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.516 1.153 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.076 0.438 -11.828 1.00 0.00 H new ATOM 566 N TYR A 47 -1.708 4.235 -9.131 1.00 0.00 N ATOM 567 CA TYR A 47 -2.398 4.858 -7.990 1.00 0.00 C ATOM 568 C TYR A 47 -3.853 4.361 -7.887 1.00 0.00 C ATOM 569 O TYR A 47 -4.224 3.826 -6.838 1.00 0.00 O ATOM 570 CB TYR A 47 -2.239 6.390 -8.054 1.00 0.00 C ATOM 571 CG TYR A 47 -3.206 7.306 -7.298 1.00 0.00 C ATOM 572 CD1 TYR A 47 -3.943 6.916 -6.158 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.341 8.627 -7.765 1.00 0.00 C ATOM 574 CE1 TYR A 47 -4.831 7.809 -5.530 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.225 9.532 -7.147 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.985 9.121 -6.030 1.00 0.00 C ATOM 577 OH TYR A 47 -5.839 9.998 -5.428 1.00 0.00 O ATOM 0 H TYR A 47 -1.223 4.896 -9.738 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.933 4.548 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.234 6.624 -7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.283 6.674 -9.105 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.823 5.918 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.756 8.952 -8.613 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.395 7.491 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.322 10.539 -7.526 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.818 10.854 -5.904 1.00 0.00 H new ATOM 587 N GLU A 48 -4.651 4.435 -8.955 1.00 0.00 N ATOM 588 CA GLU A 48 -6.006 3.871 -8.984 1.00 0.00 C ATOM 589 C GLU A 48 -6.023 2.376 -8.608 1.00 0.00 C ATOM 590 O GLU A 48 -6.843 1.984 -7.775 1.00 0.00 O ATOM 591 CB GLU A 48 -6.688 4.092 -10.351 1.00 0.00 C ATOM 592 CG GLU A 48 -7.825 5.118 -10.306 1.00 0.00 C ATOM 593 CD GLU A 48 -7.325 6.568 -10.206 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.127 7.215 -11.262 1.00 0.00 O ATOM 595 OE2 GLU A 48 -7.199 7.092 -9.073 1.00 0.00 O ATOM 0 H GLU A 48 -4.377 4.888 -9.827 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.578 4.409 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.940 4.421 -11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.081 3.141 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.438 5.012 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.468 4.902 -9.453 1.00 0.00 H new ATOM 602 N ILE A 49 -5.123 1.535 -9.149 1.00 0.00 N ATOM 603 CA ILE A 49 -5.159 0.098 -8.853 1.00 0.00 C ATOM 604 C ILE A 49 -4.826 -0.200 -7.390 1.00 0.00 C ATOM 605 O ILE A 49 -5.533 -0.987 -6.769 1.00 0.00 O ATOM 606 CB ILE A 49 -4.327 -0.761 -9.845 1.00 0.00 C ATOM 607 CG1 ILE A 49 -2.810 -0.832 -9.557 1.00 0.00 C ATOM 608 CG2 ILE A 49 -4.586 -0.376 -11.305 1.00 0.00 C ATOM 609 CD1 ILE A 49 -1.944 -1.747 -10.426 1.00 0.00 C ATOM 0 H ILE A 49 -4.376 1.822 -9.782 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.193 -0.210 -9.008 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.696 -1.772 -9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.410 0.179 -9.638 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.684 -1.143 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.982 -1.004 -11.960 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.641 -0.519 -11.537 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.319 0.670 -11.458 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.906 -1.685 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.293 -2.775 -10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.015 -1.433 -11.468 1.00 0.00 H new ATOM 621 N LEU A 50 -3.789 0.426 -6.826 1.00 0.00 N ATOM 622 CA LEU A 50 -3.346 0.156 -5.456 1.00 0.00 C ATOM 623 C LEU A 50 -4.308 0.756 -4.441 1.00 0.00 C ATOM 624 O LEU A 50 -4.653 0.082 -3.481 1.00 0.00 O ATOM 625 CB LEU A 50 -1.952 0.771 -5.254 1.00 0.00 C ATOM 626 CG LEU A 50 -0.835 -0.163 -5.732 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.418 0.663 -6.040 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.535 -1.224 -4.662 1.00 0.00 C ATOM 0 H LEU A 50 -3.233 1.134 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.316 -0.923 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.891 1.715 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.806 0.999 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.154 -0.677 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.215 0.002 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.192 1.390 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.740 1.185 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.260 -1.881 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.219 -0.733 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.433 -1.812 -4.470 1.00 0.00 H new ATOM 640 N SER A 51 -4.759 1.994 -4.640 1.00 0.00 N ATOM 641 CA SER A 51 -5.793 2.594 -3.783 1.00 0.00 C ATOM 642 C SER A 51 -7.065 1.736 -3.750 1.00 0.00 C ATOM 643 O SER A 51 -7.549 1.413 -2.660 1.00 0.00 O ATOM 644 CB SER A 51 -6.117 4.038 -4.202 1.00 0.00 C ATOM 645 OG SER A 51 -6.585 4.158 -5.532 1.00 0.00 O ATOM 0 H SER A 51 -4.427 2.605 -5.386 1.00 0.00 H new ATOM 0 HA SER A 51 -5.385 2.628 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.869 4.442 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.222 4.649 -4.086 1.00 0.00 H new ATOM 0 HG SER A 51 -5.842 4.013 -6.155 1.00 0.00 H new ATOM 651 N LEU A 52 -7.567 1.280 -4.910 1.00 0.00 N ATOM 652 CA LEU A 52 -8.746 0.416 -4.948 1.00 0.00 C ATOM 653 C LEU A 52 -8.459 -0.956 -4.330 1.00 0.00 C ATOM 654 O LEU A 52 -9.309 -1.478 -3.611 1.00 0.00 O ATOM 655 CB LEU A 52 -9.236 0.303 -6.400 1.00 0.00 C ATOM 656 CG LEU A 52 -10.654 -0.281 -6.613 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.692 0.135 -5.556 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.197 0.165 -7.983 1.00 0.00 C ATOM 0 H LEU A 52 -7.173 1.497 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.537 0.860 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.207 1.297 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.527 -0.315 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.526 -1.361 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.653 -0.323 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.362 -0.197 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.797 1.220 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.195 -0.247 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.245 1.253 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.536 -0.195 -8.771 1.00 0.00 H new ATOM 670 N LEU A 53 -7.268 -1.527 -4.557 1.00 0.00 N ATOM 671 CA LEU A 53 -6.911 -2.835 -4.005 1.00 0.00 C ATOM 672 C LEU A 53 -6.763 -2.772 -2.484 1.00 0.00 C ATOM 673 O LEU A 53 -7.414 -3.529 -1.771 1.00 0.00 O ATOM 674 CB LEU A 53 -5.635 -3.376 -4.667 1.00 0.00 C ATOM 675 CG LEU A 53 -5.400 -4.853 -4.292 1.00 0.00 C ATOM 676 CD1 LEU A 53 -6.314 -5.780 -5.115 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.944 -5.267 -4.443 1.00 0.00 C ATOM 0 H LEU A 53 -6.535 -1.099 -5.122 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.723 -3.527 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.715 -3.281 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.778 -2.778 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.654 -4.954 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.130 -6.817 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.357 -5.530 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.103 -5.650 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.833 -6.315 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.632 -5.130 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.322 -4.653 -3.792 1.00 0.00 H new ATOM 689 N ILE A 54 -5.928 -1.868 -1.967 1.00 0.00 N ATOM 690 CA ILE A 54 -5.747 -1.696 -0.514 1.00 0.00 C ATOM 691 C ILE A 54 -7.073 -1.320 0.183 1.00 0.00 C ATOM 692 O ILE A 54 -7.329 -1.804 1.286 1.00 0.00 O ATOM 693 CB ILE A 54 -4.619 -0.665 -0.253 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.267 -1.124 -0.859 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.437 -0.419 1.256 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.264 0.024 -1.044 1.00 0.00 C ATOM 0 H ILE A 54 -5.361 -1.237 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.443 -2.646 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.922 0.262 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.826 -1.882 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.451 -1.596 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.640 0.308 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.366 -0.035 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.176 -1.356 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.340 -0.365 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.687 0.772 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.052 0.481 -0.078 1.00 0.00 H new ATOM 708 N SER A 55 -7.950 -0.539 -0.455 1.00 0.00 N ATOM 709 CA SER A 55 -9.295 -0.262 0.077 1.00 0.00 C ATOM 710 C SER A 55 -10.192 -1.522 0.141 1.00 0.00 C ATOM 711 O SER A 55 -10.815 -1.786 1.176 1.00 0.00 O ATOM 712 CB SER A 55 -9.977 0.825 -0.769 1.00 0.00 C ATOM 713 OG SER A 55 -11.215 1.227 -0.194 1.00 0.00 O ATOM 0 H SER A 55 -7.754 -0.083 -1.346 1.00 0.00 H new ATOM 0 HA SER A 55 -9.166 0.085 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.317 1.688 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.147 0.450 -1.778 1.00 0.00 H new ATOM 0 HG SER A 55 -11.625 1.920 -0.752 1.00 0.00 H new ATOM 719 N LYS A 56 -10.258 -2.326 -0.935 1.00 0.00 N ATOM 720 CA LYS A 56 -11.131 -3.515 -1.018 1.00 0.00 C ATOM 721 C LYS A 56 -10.527 -4.802 -0.406 1.00 0.00 C ATOM 722 O LYS A 56 -11.228 -5.810 -0.310 1.00 0.00 O ATOM 723 CB LYS A 56 -11.623 -3.698 -2.472 1.00 0.00 C ATOM 724 CG LYS A 56 -10.661 -4.445 -3.413 1.00 0.00 C ATOM 725 CD LYS A 56 -11.039 -4.183 -4.883 1.00 0.00 C ATOM 726 CE LYS A 56 -10.165 -4.962 -5.883 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.694 -6.329 -6.161 1.00 0.00 N ATOM 0 H LYS A 56 -9.705 -2.170 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.995 -3.326 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.571 -4.235 -2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.824 -2.714 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.637 -4.119 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.697 -5.515 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.084 -4.453 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.952 -3.116 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.102 -4.404 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.151 -5.041 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.070 -6.811 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.730 -6.874 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.651 -6.256 -6.562 1.00 0.00 H new ATOM 741 N LYS A 57 -9.247 -4.740 -0.005 1.00 0.00 N ATOM 742 CA LYS A 57 -8.371 -5.746 0.635 1.00 0.00 C ATOM 743 C LYS A 57 -7.489 -6.503 -0.380 1.00 0.00 C ATOM 744 O LYS A 57 -7.779 -6.551 -1.577 1.00 0.00 O ATOM 745 CB LYS A 57 -9.101 -6.722 1.577 1.00 0.00 C ATOM 746 CG LYS A 57 -9.826 -6.032 2.747 1.00 0.00 C ATOM 747 CD LYS A 57 -10.332 -7.070 3.765 1.00 0.00 C ATOM 748 CE LYS A 57 -10.894 -6.428 5.044 1.00 0.00 C ATOM 749 NZ LYS A 57 -12.175 -5.702 4.816 1.00 0.00 N ATOM 0 H LYS A 57 -8.731 -3.870 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.713 -5.155 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.826 -7.295 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.379 -7.433 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.149 -5.334 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.665 -5.449 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.106 -7.680 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.514 -7.740 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.050 -7.203 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.157 -5.735 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.505 -5.291 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.025 -4.943 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.890 -6.365 4.455 1.00 0.00 H new ATOM 763 N GLY A 58 -6.405 -7.102 0.141 1.00 0.00 N ATOM 764 CA GLY A 58 -5.236 -7.578 -0.609 1.00 0.00 C ATOM 765 C GLY A 58 -5.551 -8.418 -1.843 1.00 0.00 C ATOM 766 O GLY A 58 -5.191 -8.000 -2.937 1.00 0.00 O ATOM 0 H GLY A 58 -6.318 -7.274 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.647 -6.714 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.610 -8.167 0.061 1.00 0.00 H new ATOM 770 N TYR A 59 -6.221 -9.569 -1.695 1.00 0.00 N ATOM 771 CA TYR A 59 -6.723 -10.368 -2.819 1.00 0.00 C ATOM 772 C TYR A 59 -5.562 -10.757 -3.759 1.00 0.00 C ATOM 773 O TYR A 59 -4.416 -10.887 -3.325 1.00 0.00 O ATOM 774 CB TYR A 59 -7.908 -9.589 -3.442 1.00 0.00 C ATOM 775 CG TYR A 59 -8.717 -10.312 -4.504 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.405 -11.498 -4.184 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.742 -9.822 -5.826 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.109 -12.201 -5.181 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.442 -10.522 -6.827 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.128 -11.716 -6.508 1.00 0.00 C ATOM 781 OH TYR A 59 -10.801 -12.393 -7.482 1.00 0.00 O ATOM 0 H TYR A 59 -6.431 -9.974 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.124 -11.337 -2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.584 -9.299 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.519 -8.669 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.393 -11.870 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.223 -8.907 -6.071 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.634 -13.111 -4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.455 -10.146 -7.839 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.710 -11.917 -8.334 1.00 0.00 H new ATOM 791 N VAL A 60 -5.843 -10.954 -5.039 1.00 0.00 N ATOM 792 CA VAL A 60 -4.831 -11.092 -6.093 1.00 0.00 C ATOM 793 C VAL A 60 -5.011 -9.967 -7.121 1.00 0.00 C ATOM 794 O VAL A 60 -6.055 -9.883 -7.765 1.00 0.00 O ATOM 795 CB VAL A 60 -4.893 -12.492 -6.745 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.730 -12.706 -7.721 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.852 -13.624 -5.701 1.00 0.00 C ATOM 0 H VAL A 60 -6.799 -11.025 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.837 -11.000 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.843 -12.528 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.803 -13.700 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.774 -11.955 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.785 -12.615 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.898 -14.588 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.926 -13.558 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.703 -13.528 -5.026 1.00 0.00 H new ATOM 807 N PHE A 61 -3.985 -9.124 -7.288 1.00 0.00 N ATOM 808 CA PHE A 61 -3.846 -8.207 -8.423 1.00 0.00 C ATOM 809 C PHE A 61 -3.748 -9.050 -9.702 1.00 0.00 C ATOM 810 O PHE A 61 -2.742 -9.719 -9.919 1.00 0.00 O ATOM 811 CB PHE A 61 -2.575 -7.340 -8.265 1.00 0.00 C ATOM 812 CG PHE A 61 -2.702 -5.932 -7.704 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.759 -5.075 -8.074 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.695 -5.424 -6.858 1.00 0.00 C ATOM 815 CE1 PHE A 61 -3.760 -3.734 -7.678 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.669 -4.076 -6.494 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.698 -3.232 -6.920 1.00 0.00 C ATOM 0 H PHE A 61 -3.213 -9.060 -6.624 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.706 -7.539 -8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.882 -7.887 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.108 -7.261 -9.247 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.575 -5.458 -8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.930 -6.089 -6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.579 -3.088 -7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.862 -3.690 -5.889 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.673 -2.184 -6.662 1.00 0.00 H new ATOM 827 N SER A 62 -4.796 -9.040 -10.524 1.00 0.00 N ATOM 828 CA SER A 62 -4.955 -9.908 -11.706 1.00 0.00 C ATOM 829 C SER A 62 -5.192 -9.067 -12.957 1.00 0.00 C ATOM 830 O SER A 62 -6.014 -8.161 -12.899 1.00 0.00 O ATOM 831 CB SER A 62 -6.221 -10.759 -11.535 1.00 0.00 C ATOM 832 OG SER A 62 -6.181 -11.569 -10.366 1.00 0.00 O ATOM 0 H SER A 62 -5.587 -8.410 -10.388 1.00 0.00 H new ATOM 0 HA SER A 62 -4.053 -10.513 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.091 -10.104 -11.489 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.347 -11.396 -12.410 1.00 0.00 H new ATOM 0 HG SER A 62 -6.156 -10.996 -9.572 1.00 0.00 H new ATOM 838 N ARG A 63 -4.574 -9.366 -14.104 1.00 0.00 N ATOM 839 CA ARG A 63 -4.606 -8.484 -15.289 1.00 0.00 C ATOM 840 C ARG A 63 -6.010 -8.029 -15.773 1.00 0.00 C ATOM 841 O ARG A 63 -6.190 -6.863 -16.122 1.00 0.00 O ATOM 842 CB ARG A 63 -3.733 -9.114 -16.393 1.00 0.00 C ATOM 843 CG ARG A 63 -4.324 -10.376 -17.043 1.00 0.00 C ATOM 844 CD ARG A 63 -3.317 -11.008 -18.012 1.00 0.00 C ATOM 845 NE ARG A 63 -3.838 -12.272 -18.565 1.00 0.00 N ATOM 846 CZ ARG A 63 -3.146 -13.200 -19.220 1.00 0.00 C ATOM 847 NH1 ARG A 63 -1.857 -13.075 -19.468 1.00 0.00 N ATOM 848 NH2 ARG A 63 -3.753 -14.287 -19.640 1.00 0.00 N ATOM 0 H ARG A 63 -4.037 -10.222 -14.243 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.181 -7.527 -14.986 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.561 -8.369 -17.170 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.760 -9.363 -15.969 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.595 -11.096 -16.271 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.240 -10.122 -17.577 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.102 -10.313 -18.824 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.376 -11.194 -17.494 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.833 -12.453 -18.431 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.356 -12.244 -19.154 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.361 -13.809 -19.974 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.749 -14.415 -19.463 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.228 -15.002 -20.143 1.00 0.00 H new ATOM 862 N GLU A 64 -7.033 -8.887 -15.691 1.00 0.00 N ATOM 863 CA GLU A 64 -8.433 -8.501 -15.971 1.00 0.00 C ATOM 864 C GLU A 64 -8.980 -7.540 -14.897 1.00 0.00 C ATOM 865 O GLU A 64 -9.537 -6.486 -15.199 1.00 0.00 O ATOM 866 CB GLU A 64 -9.298 -9.769 -16.024 1.00 0.00 C ATOM 867 CG GLU A 64 -10.665 -9.515 -16.669 1.00 0.00 C ATOM 868 CD GLU A 64 -11.481 -10.815 -16.740 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.359 -11.559 -17.742 1.00 0.00 O ATOM 870 OE2 GLU A 64 -12.253 -11.104 -15.795 1.00 0.00 O ATOM 0 H GLU A 64 -6.921 -9.867 -15.430 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.465 -7.980 -16.928 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.772 -10.542 -16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.441 -10.151 -15.013 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.211 -8.768 -16.093 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.530 -9.109 -17.672 1.00 0.00 H new ATOM 877 N SER A 65 -8.767 -7.874 -13.622 1.00 0.00 N ATOM 878 CA SER A 65 -9.099 -6.983 -12.497 1.00 0.00 C ATOM 879 C SER A 65 -8.371 -5.635 -12.631 1.00 0.00 C ATOM 880 O SER A 65 -8.977 -4.595 -12.430 1.00 0.00 O ATOM 881 CB SER A 65 -8.774 -7.650 -11.151 1.00 0.00 C ATOM 882 OG SER A 65 -9.552 -7.126 -10.084 1.00 0.00 O ATOM 0 H SER A 65 -8.361 -8.765 -13.336 1.00 0.00 H new ATOM 0 HA SER A 65 -10.172 -6.792 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.947 -8.723 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.716 -7.513 -10.927 1.00 0.00 H new ATOM 0 HG SER A 65 -9.136 -6.305 -9.748 1.00 0.00 H new ATOM 888 N ILE A 66 -7.108 -5.614 -13.073 1.00 0.00 N ATOM 889 CA ILE A 66 -6.358 -4.372 -13.386 1.00 0.00 C ATOM 890 C ILE A 66 -7.024 -3.531 -14.479 1.00 0.00 C ATOM 891 O ILE A 66 -7.190 -2.319 -14.311 1.00 0.00 O ATOM 892 CB ILE A 66 -4.902 -4.701 -13.761 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.162 -5.349 -12.580 1.00 0.00 C ATOM 894 CG2 ILE A 66 -4.140 -3.469 -14.281 1.00 0.00 C ATOM 895 CD1 ILE A 66 -4.040 -4.465 -11.343 1.00 0.00 C ATOM 0 H ILE A 66 -6.564 -6.463 -13.228 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.365 -3.764 -12.481 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.939 -5.420 -14.579 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.680 -6.267 -12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.162 -5.633 -12.907 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.118 -3.753 -14.532 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.638 -3.082 -15.170 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.124 -2.699 -13.510 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.504 -5.004 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.493 -3.557 -11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.035 -4.201 -10.985 1.00 0.00 H new ATOM 907 N ALA A 67 -7.439 -4.166 -15.571 1.00 0.00 N ATOM 908 CA ALA A 67 -8.229 -3.553 -16.635 1.00 0.00 C ATOM 909 C ALA A 67 -9.618 -3.092 -16.147 1.00 0.00 C ATOM 910 O ALA A 67 -10.211 -2.214 -16.767 1.00 0.00 O ATOM 911 CB ALA A 67 -8.341 -4.543 -17.802 1.00 0.00 C ATOM 0 H ALA A 67 -7.229 -5.149 -15.745 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.719 -2.650 -16.970 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.929 -4.096 -18.603 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.344 -4.782 -18.173 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.829 -5.456 -17.459 1.00 0.00 H new ATOM 917 N ILE A 68 -10.128 -3.627 -15.032 1.00 0.00 N ATOM 918 CA ILE A 68 -11.318 -3.079 -14.341 1.00 0.00 C ATOM 919 C ILE A 68 -10.939 -1.929 -13.376 1.00 0.00 C ATOM 920 O ILE A 68 -11.674 -0.943 -13.278 1.00 0.00 O ATOM 921 CB ILE A 68 -12.109 -4.226 -13.655 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.696 -5.187 -14.719 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.243 -3.683 -12.764 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.179 -6.529 -14.150 1.00 0.00 C ATOM 0 H ILE A 68 -9.734 -4.451 -14.578 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.982 -2.628 -15.078 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.410 -4.769 -13.019 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.530 -4.694 -15.218 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.938 -5.378 -15.479 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.773 -4.516 -12.302 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.822 -3.045 -11.987 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.938 -3.104 -13.372 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.576 -7.145 -14.957 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.344 -7.045 -13.677 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.961 -6.351 -13.412 1.00 0.00 H new ATOM 936 N GLU A 69 -9.788 -2.020 -12.704 1.00 0.00 N ATOM 937 CA GLU A 69 -9.303 -1.091 -11.681 1.00 0.00 C ATOM 938 C GLU A 69 -8.805 0.248 -12.267 1.00 0.00 C ATOM 939 O GLU A 69 -9.127 1.294 -11.703 1.00 0.00 O ATOM 940 CB GLU A 69 -8.161 -1.747 -10.873 1.00 0.00 C ATOM 941 CG GLU A 69 -8.501 -2.328 -9.498 1.00 0.00 C ATOM 942 CD GLU A 69 -9.453 -3.536 -9.516 1.00 0.00 C ATOM 943 OE1 GLU A 69 -10.690 -3.334 -9.569 1.00 0.00 O ATOM 944 OE2 GLU A 69 -8.970 -4.686 -9.367 1.00 0.00 O ATOM 0 H GLU A 69 -9.134 -2.786 -12.868 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.152 -0.868 -11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.739 -2.548 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.376 -1.003 -10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.574 -2.623 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.948 -1.542 -8.889 1.00 0.00 H new ATOM 951 N SER A 70 -8.023 0.251 -13.361 1.00 0.00 N ATOM 952 CA SER A 70 -7.498 1.512 -13.949 1.00 0.00 C ATOM 953 C SER A 70 -8.003 1.787 -15.381 1.00 0.00 C ATOM 954 O SER A 70 -8.555 2.861 -15.634 1.00 0.00 O ATOM 955 CB SER A 70 -5.959 1.564 -13.895 1.00 0.00 C ATOM 956 OG SER A 70 -5.364 0.479 -14.598 1.00 0.00 O ATOM 0 H SER A 70 -7.738 -0.593 -13.857 1.00 0.00 H new ATOM 0 HA SER A 70 -7.898 2.311 -13.324 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.613 2.506 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.632 1.545 -12.855 1.00 0.00 H new ATOM 0 HG SER A 70 -4.388 0.549 -14.542 1.00 0.00 H new ATOM 962 N GLU A 71 -7.840 0.833 -16.310 1.00 0.00 N ATOM 963 CA GLU A 71 -8.410 0.846 -17.670 1.00 0.00 C ATOM 964 C GLU A 71 -7.827 1.946 -18.594 1.00 0.00 C ATOM 965 O GLU A 71 -8.504 2.490 -19.467 1.00 0.00 O ATOM 966 CB GLU A 71 -9.953 0.860 -17.626 1.00 0.00 C ATOM 967 CG GLU A 71 -10.555 0.189 -18.875 1.00 0.00 C ATOM 968 CD GLU A 71 -12.088 0.079 -18.802 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.767 1.060 -18.409 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.644 -0.976 -19.193 1.00 0.00 O ATOM 0 H GLU A 71 -7.285 -0.004 -16.129 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.098 -0.088 -18.137 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.298 0.343 -16.731 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.308 1.888 -17.557 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.276 0.760 -19.761 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.127 -0.807 -18.991 1.00 0.00 H new ATOM 977 N SER A 72 -6.544 2.282 -18.444 1.00 0.00 N ATOM 978 CA SER A 72 -5.826 3.201 -19.350 1.00 0.00 C ATOM 979 C SER A 72 -5.387 2.543 -20.685 1.00 0.00 C ATOM 980 O SER A 72 -4.698 3.166 -21.498 1.00 0.00 O ATOM 981 CB SER A 72 -4.621 3.795 -18.600 1.00 0.00 C ATOM 982 OG SER A 72 -3.782 2.777 -18.062 1.00 0.00 O ATOM 0 H SER A 72 -5.963 1.924 -17.686 1.00 0.00 H new ATOM 0 HA SER A 72 -6.520 3.991 -19.638 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.043 4.422 -19.279 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.975 4.439 -17.795 1.00 0.00 H new ATOM 0 HG SER A 72 -3.026 3.189 -17.594 1.00 0.00 H new ATOM 988 N ILE A 73 -5.763 1.275 -20.914 1.00 0.00 N ATOM 989 CA ILE A 73 -5.178 0.355 -21.909 1.00 0.00 C ATOM 990 C ILE A 73 -6.269 -0.234 -22.824 1.00 0.00 C ATOM 991 O ILE A 73 -7.354 -0.584 -22.357 1.00 0.00 O ATOM 992 CB ILE A 73 -4.406 -0.769 -21.166 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.433 -0.241 -20.088 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.664 -1.692 -22.147 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.236 0.566 -20.613 1.00 0.00 C ATOM 0 H ILE A 73 -6.520 0.840 -20.386 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.486 0.905 -22.546 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.170 -1.347 -20.646 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.993 0.385 -19.393 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.054 -1.090 -19.519 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.136 -2.466 -21.590 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.382 -2.157 -22.822 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.948 -1.108 -22.725 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.618 0.888 -19.775 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.643 -0.057 -21.282 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.596 1.440 -21.155 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.981 -0.356 -24.126 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.962 -0.763 -25.146 1.00 0.00 C ATOM 1009 C ASN A 74 -7.403 -2.250 -25.067 1.00 0.00 C ATOM 1010 O ASN A 74 -8.615 -2.483 -24.972 1.00 0.00 O ATOM 1011 CB ASN A 74 -6.452 -0.369 -26.545 1.00 0.00 C ATOM 1012 CG ASN A 74 -6.362 1.145 -26.719 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -5.305 1.745 -26.556 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -7.461 1.808 -27.038 1.00 0.00 N ATOM 0 H ASN A 74 -5.052 -0.174 -24.507 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.880 -0.215 -24.934 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.469 -0.811 -26.710 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.118 -0.781 -27.303 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.431 2.821 -27.149 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.339 1.306 -27.173 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.498 -3.261 -25.104 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.878 -4.671 -24.981 1.00 0.00 C ATOM 1023 C PRO A 75 -7.371 -5.006 -23.567 1.00 0.00 C ATOM 1024 O PRO A 75 -6.801 -4.548 -22.578 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.633 -5.484 -25.356 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.481 -4.532 -25.041 1.00 0.00 C ATOM 1027 CD PRO A 75 -5.072 -3.173 -25.411 1.00 0.00 C ATOM 0 HA PRO A 75 -7.712 -4.909 -25.641 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.564 -6.404 -24.776 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.642 -5.770 -26.408 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.191 -4.577 -23.991 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.591 -4.762 -25.627 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.598 -2.373 -24.842 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.912 -2.952 -26.466 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.414 -5.841 -23.480 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.110 -6.191 -22.233 1.00 0.00 C ATOM 1037 C GLU A 76 -8.293 -7.067 -21.265 1.00 0.00 C ATOM 1038 O GLU A 76 -8.621 -7.148 -20.080 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.457 -6.848 -22.580 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.338 -8.222 -23.255 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.723 -8.765 -23.635 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.356 -9.465 -22.808 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.191 -8.504 -24.769 1.00 0.00 O ATOM 0 H GLU A 76 -8.809 -6.305 -24.298 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.267 -5.261 -21.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.041 -6.955 -21.666 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.014 -6.181 -23.238 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.717 -8.141 -24.147 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.841 -8.921 -22.582 1.00 0.00 H new ATOM 1050 N SER A 77 -7.215 -7.704 -21.732 1.00 0.00 N ATOM 1051 CA SER A 77 -6.234 -8.357 -20.855 1.00 0.00 C ATOM 1052 C SER A 77 -5.250 -7.351 -20.234 1.00 0.00 C ATOM 1053 O SER A 77 -4.743 -7.584 -19.142 1.00 0.00 O ATOM 1054 CB SER A 77 -5.464 -9.426 -21.645 1.00 0.00 C ATOM 1055 OG SER A 77 -4.739 -8.858 -22.736 1.00 0.00 O ATOM 0 H SER A 77 -6.997 -7.782 -22.725 1.00 0.00 H new ATOM 0 HA SER A 77 -6.782 -8.823 -20.036 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.773 -9.943 -20.979 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.162 -10.173 -22.022 1.00 0.00 H new ATOM 0 HG SER A 77 -4.529 -9.558 -23.389 1.00 0.00 H new ATOM 1061 N SER A 78 -4.963 -6.233 -20.915 1.00 0.00 N ATOM 1062 CA SER A 78 -3.981 -5.192 -20.546 1.00 0.00 C ATOM 1063 C SER A 78 -2.549 -5.714 -20.284 1.00 0.00 C ATOM 1064 O SER A 78 -1.732 -5.037 -19.662 1.00 0.00 O ATOM 1065 CB SER A 78 -4.529 -4.311 -19.407 1.00 0.00 C ATOM 1066 OG SER A 78 -4.673 -5.007 -18.184 1.00 0.00 O ATOM 0 H SER A 78 -5.436 -6.014 -21.792 1.00 0.00 H new ATOM 0 HA SER A 78 -3.855 -4.563 -21.427 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.860 -3.463 -19.258 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.497 -3.906 -19.703 1.00 0.00 H new ATOM 0 HG SER A 78 -4.652 -5.972 -18.352 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.221 -6.924 -20.756 1.00 0.00 N ATOM 1073 CA ASN A 79 -1.073 -7.721 -20.302 1.00 0.00 C ATOM 1074 C ASN A 79 0.299 -7.007 -20.350 1.00 0.00 C ATOM 1075 O ASN A 79 1.114 -7.195 -19.446 1.00 0.00 O ATOM 1076 CB ASN A 79 -1.058 -9.055 -21.070 1.00 0.00 C ATOM 1077 CG ASN A 79 -0.734 -8.902 -22.558 1.00 0.00 C ATOM 1078 OD1 ASN A 79 0.422 -8.914 -22.960 1.00 0.00 O ATOM 1079 ND2 ASN A 79 -1.731 -8.738 -23.409 1.00 0.00 N ATOM 0 H ASN A 79 -2.762 -7.389 -21.485 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.219 -7.895 -19.236 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.324 -9.719 -20.613 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.031 -9.535 -20.966 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.538 -8.621 -24.404 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.693 -8.728 -23.071 1.00 0.00 H new ATOM 1086 N LYS A 80 0.550 -6.134 -21.337 1.00 0.00 N ATOM 1087 CA LYS A 80 1.800 -5.355 -21.421 1.00 0.00 C ATOM 1088 C LYS A 80 1.833 -4.167 -20.449 1.00 0.00 C ATOM 1089 O LYS A 80 2.911 -3.799 -19.983 1.00 0.00 O ATOM 1090 CB LYS A 80 2.025 -4.939 -22.889 1.00 0.00 C ATOM 1091 CG LYS A 80 3.460 -4.475 -23.209 1.00 0.00 C ATOM 1092 CD LYS A 80 4.480 -5.630 -23.191 1.00 0.00 C ATOM 1093 CE LYS A 80 5.898 -5.175 -23.571 1.00 0.00 C ATOM 1094 NZ LYS A 80 6.572 -4.416 -22.481 1.00 0.00 N ATOM 0 H LYS A 80 -0.103 -5.947 -22.098 1.00 0.00 H new ATOM 0 HA LYS A 80 2.630 -5.985 -21.101 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.777 -5.782 -23.534 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.333 -4.134 -23.135 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.473 -4.000 -24.190 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.762 -3.718 -22.485 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.500 -6.076 -22.197 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.155 -6.407 -23.882 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.499 -6.048 -23.825 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.848 -4.552 -24.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.542 -4.178 -22.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.044 -3.541 -22.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.602 -4.998 -21.620 1.00 0.00 H new ATOM 1108 N SER A 81 0.675 -3.642 -20.036 1.00 0.00 N ATOM 1109 CA SER A 81 0.620 -2.783 -18.850 1.00 0.00 C ATOM 1110 C SER A 81 1.089 -3.567 -17.626 1.00 0.00 C ATOM 1111 O SER A 81 2.047 -3.144 -16.997 1.00 0.00 O ATOM 1112 CB SER A 81 -0.778 -2.197 -18.643 1.00 0.00 C ATOM 1113 OG SER A 81 -0.732 -1.183 -17.650 1.00 0.00 O ATOM 0 H SER A 81 -0.222 -3.793 -20.497 1.00 0.00 H new ATOM 0 HA SER A 81 1.292 -1.938 -19.000 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.152 -1.784 -19.580 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.471 -2.983 -18.342 1.00 0.00 H new ATOM 0 HG SER A 81 -1.629 -0.809 -17.522 1.00 0.00 H new ATOM 1119 N ILE A 82 0.541 -4.759 -17.342 1.00 0.00 N ATOM 1120 CA ILE A 82 0.949 -5.563 -16.164 1.00 0.00 C ATOM 1121 C ILE A 82 2.451 -5.881 -16.181 1.00 0.00 C ATOM 1122 O ILE A 82 3.104 -5.734 -15.151 1.00 0.00 O ATOM 1123 CB ILE A 82 0.059 -6.824 -15.994 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -1.311 -6.461 -15.385 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.688 -7.879 -15.067 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -2.207 -5.666 -16.332 1.00 0.00 C ATOM 0 H ILE A 82 -0.187 -5.193 -17.909 1.00 0.00 H new ATOM 0 HA ILE A 82 0.783 -4.954 -15.276 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.047 -7.233 -16.999 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.825 -7.377 -15.095 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.153 -5.882 -14.475 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.021 -8.737 -14.987 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.645 -8.201 -15.478 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.845 -7.448 -14.078 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.153 -5.446 -15.838 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.713 -4.733 -16.603 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.395 -6.251 -17.232 1.00 0.00 H new ATOM 1138 N ASP A 83 3.017 -6.217 -17.343 1.00 0.00 N ATOM 1139 CA ASP A 83 4.468 -6.361 -17.532 1.00 0.00 C ATOM 1140 C ASP A 83 5.236 -5.085 -17.131 1.00 0.00 C ATOM 1141 O ASP A 83 6.197 -5.170 -16.363 1.00 0.00 O ATOM 1142 CB ASP A 83 4.740 -6.739 -18.994 1.00 0.00 C ATOM 1143 CG ASP A 83 6.240 -6.823 -19.318 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.916 -7.753 -18.819 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.720 -5.966 -20.098 1.00 0.00 O ATOM 0 H ASP A 83 2.478 -6.399 -18.189 1.00 0.00 H new ATOM 0 HA ASP A 83 4.831 -7.151 -16.875 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.272 -7.700 -19.209 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.272 -6.003 -19.648 1.00 0.00 H new ATOM 1150 N VAL A 84 4.790 -3.908 -17.595 1.00 0.00 N ATOM 1151 CA VAL A 84 5.372 -2.609 -17.176 1.00 0.00 C ATOM 1152 C VAL A 84 5.144 -2.288 -15.700 1.00 0.00 C ATOM 1153 O VAL A 84 6.021 -1.709 -15.074 1.00 0.00 O ATOM 1154 CB VAL A 84 4.922 -1.428 -18.076 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.064 -0.296 -17.505 1.00 0.00 C ATOM 1156 CG2 VAL A 84 6.158 -0.805 -18.746 1.00 0.00 C ATOM 0 H VAL A 84 4.025 -3.822 -18.264 1.00 0.00 H new ATOM 0 HA VAL A 84 6.447 -2.733 -17.310 1.00 0.00 H new ATOM 0 HB VAL A 84 4.227 -1.928 -18.750 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.854 0.432 -18.288 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.126 -0.705 -17.129 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.600 0.191 -16.690 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.848 0.026 -19.380 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.843 -0.441 -17.980 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.661 -1.557 -19.354 1.00 0.00 H new ATOM 1166 N ILE A 85 4.000 -2.657 -15.124 1.00 0.00 N ATOM 1167 CA ILE A 85 3.680 -2.357 -13.717 1.00 0.00 C ATOM 1168 C ILE A 85 4.472 -3.249 -12.773 1.00 0.00 C ATOM 1169 O ILE A 85 5.075 -2.718 -11.847 1.00 0.00 O ATOM 1170 CB ILE A 85 2.157 -2.374 -13.439 1.00 0.00 C ATOM 1171 CG1 ILE A 85 1.359 -1.367 -14.306 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.881 -2.071 -11.953 1.00 0.00 C ATOM 1173 CD1 ILE A 85 2.079 -0.050 -14.630 1.00 0.00 C ATOM 0 H ILE A 85 3.267 -3.171 -15.613 1.00 0.00 H new ATOM 0 HA ILE A 85 3.995 -1.332 -13.519 1.00 0.00 H new ATOM 0 HB ILE A 85 1.818 -3.376 -13.702 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.093 -1.854 -15.244 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.426 -1.133 -13.793 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.806 -2.086 -11.772 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.364 -2.825 -11.332 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.277 -1.087 -11.703 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.431 0.579 -15.240 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.321 0.470 -13.703 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.998 -0.263 -15.177 1.00 0.00 H new ATOM 1185 N ILE A 86 4.562 -4.555 -13.026 1.00 0.00 N ATOM 1186 CA ILE A 86 5.447 -5.452 -12.260 1.00 0.00 C ATOM 1187 C ILE A 86 6.898 -4.994 -12.398 1.00 0.00 C ATOM 1188 O ILE A 86 7.570 -4.796 -11.386 1.00 0.00 O ATOM 1189 CB ILE A 86 5.277 -6.917 -12.718 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.865 -7.435 -12.371 1.00 0.00 C ATOM 1191 CG2 ILE A 86 6.341 -7.829 -12.068 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.527 -8.691 -13.173 1.00 0.00 C ATOM 0 H ILE A 86 4.031 -5.024 -13.760 1.00 0.00 H new ATOM 0 HA ILE A 86 5.169 -5.405 -11.207 1.00 0.00 H new ATOM 0 HB ILE A 86 5.410 -6.943 -13.800 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.807 -7.654 -11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.128 -6.659 -12.578 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.198 -8.855 -12.408 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.336 -7.488 -12.353 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.241 -7.789 -10.983 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.527 -9.034 -12.908 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.562 -8.463 -14.238 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.251 -9.474 -12.945 1.00 0.00 H new ATOM 1204 N GLY A 87 7.376 -4.787 -13.632 1.00 0.00 N ATOM 1205 CA GLY A 87 8.768 -4.417 -13.900 1.00 0.00 C ATOM 1206 C GLY A 87 9.135 -3.084 -13.257 1.00 0.00 C ATOM 1207 O GLY A 87 10.171 -2.983 -12.603 1.00 0.00 O ATOM 0 H GLY A 87 6.805 -4.872 -14.473 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.430 -5.197 -13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.927 -4.357 -14.977 1.00 0.00 H new ATOM 1211 N ARG A 88 8.262 -2.077 -13.372 1.00 0.00 N ATOM 1212 CA ARG A 88 8.499 -0.740 -12.823 1.00 0.00 C ATOM 1213 C ARG A 88 8.213 -0.641 -11.320 1.00 0.00 C ATOM 1214 O ARG A 88 8.938 0.093 -10.665 1.00 0.00 O ATOM 1215 CB ARG A 88 7.758 0.323 -13.654 1.00 0.00 C ATOM 1216 CG ARG A 88 8.338 1.744 -13.519 1.00 0.00 C ATOM 1217 CD ARG A 88 9.758 1.914 -14.092 1.00 0.00 C ATOM 1218 NE ARG A 88 9.812 1.585 -15.530 1.00 0.00 N ATOM 1219 CZ ARG A 88 10.407 0.547 -16.113 1.00 0.00 C ATOM 1220 NH1 ARG A 88 11.098 -0.359 -15.448 1.00 0.00 N ATOM 1221 NH2 ARG A 88 10.306 0.403 -17.417 1.00 0.00 N ATOM 0 H ARG A 88 7.366 -2.169 -13.852 1.00 0.00 H new ATOM 0 HA ARG A 88 9.567 -0.537 -12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.783 0.030 -14.704 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.711 0.339 -13.352 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.671 2.444 -14.022 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.351 2.018 -12.464 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.090 2.941 -13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.449 1.272 -13.546 1.00 0.00 H new ATOM 0 HE ARG A 88 9.334 2.234 -16.155 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.196 -0.283 -14.436 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.534 -1.135 -15.946 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.778 1.081 -17.966 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.756 -0.387 -17.879 1.00 0.00 H new ATOM 1235 N LEU A 89 7.294 -1.411 -10.720 1.00 0.00 N ATOM 1236 CA LEU A 89 7.230 -1.549 -9.251 1.00 0.00 C ATOM 1237 C LEU A 89 8.500 -2.217 -8.719 1.00 0.00 C ATOM 1238 O LEU A 89 9.078 -1.693 -7.770 1.00 0.00 O ATOM 1239 CB LEU A 89 5.971 -2.319 -8.794 1.00 0.00 C ATOM 1240 CG LEU A 89 4.697 -1.465 -8.623 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.522 -2.386 -8.264 1.00 0.00 C ATOM 1242 CD2 LEU A 89 4.860 -0.399 -7.531 1.00 0.00 C ATOM 0 H LEU A 89 6.587 -1.947 -11.223 1.00 0.00 H new ATOM 0 HA LEU A 89 7.160 -0.545 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.765 -3.107 -9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.190 -2.808 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 89 4.509 -0.948 -9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.617 -1.791 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.372 -3.113 -9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.741 -2.909 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.939 0.178 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.074 -0.884 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.682 0.267 -7.792 1.00 0.00 H new ATOM 1254 N ARG A 90 8.996 -3.280 -9.375 1.00 0.00 N ATOM 1255 CA ARG A 90 10.344 -3.814 -9.099 1.00 0.00 C ATOM 1256 C ARG A 90 11.417 -2.718 -9.196 1.00 0.00 C ATOM 1257 O ARG A 90 12.259 -2.629 -8.309 1.00 0.00 O ATOM 1258 CB ARG A 90 10.686 -5.020 -10.000 1.00 0.00 C ATOM 1259 CG ARG A 90 10.423 -6.379 -9.329 1.00 0.00 C ATOM 1260 CD ARG A 90 8.942 -6.659 -9.046 1.00 0.00 C ATOM 1261 NE ARG A 90 8.761 -7.960 -8.372 1.00 0.00 N ATOM 1262 CZ ARG A 90 8.690 -9.161 -8.942 1.00 0.00 C ATOM 1263 NH1 ARG A 90 8.824 -9.335 -10.240 1.00 0.00 N ATOM 1264 NH2 ARG A 90 8.486 -10.224 -8.196 1.00 0.00 N ATOM 0 H ARG A 90 8.486 -3.787 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 90 10.336 -4.176 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.100 -4.957 -10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.736 -4.963 -10.288 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.816 -7.170 -9.968 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.976 -6.422 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.532 -5.864 -8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.383 -6.651 -9.982 1.00 0.00 H new ATOM 0 HE ARG A 90 8.681 -7.936 -7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.989 -8.533 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.763 -10.272 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.383 -10.126 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.431 -11.147 -8.627 1.00 0.00 H new ATOM 1278 N SER A 91 11.360 -1.820 -10.182 1.00 0.00 N ATOM 1279 CA SER A 91 12.292 -0.679 -10.255 1.00 0.00 C ATOM 1280 C SER A 91 12.145 0.292 -9.080 1.00 0.00 C ATOM 1281 O SER A 91 13.140 0.662 -8.455 1.00 0.00 O ATOM 1282 CB SER A 91 12.144 0.111 -11.567 1.00 0.00 C ATOM 1283 OG SER A 91 12.124 -0.715 -12.723 1.00 0.00 O ATOM 0 H SER A 91 10.681 -1.856 -10.943 1.00 0.00 H new ATOM 0 HA SER A 91 13.284 -1.129 -10.212 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.224 0.694 -11.530 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.967 0.820 -11.650 1.00 0.00 H new ATOM 0 HG SER A 91 11.476 -1.439 -12.597 1.00 0.00 H new ATOM 1289 N LYS A 92 10.914 0.688 -8.730 1.00 0.00 N ATOM 1290 CA LYS A 92 10.695 1.541 -7.558 1.00 0.00 C ATOM 1291 C LYS A 92 11.193 0.890 -6.252 1.00 0.00 C ATOM 1292 O LYS A 92 11.876 1.563 -5.491 1.00 0.00 O ATOM 1293 CB LYS A 92 9.223 1.984 -7.514 1.00 0.00 C ATOM 1294 CG LYS A 92 8.764 2.837 -8.718 1.00 0.00 C ATOM 1295 CD LYS A 92 9.560 4.135 -8.963 1.00 0.00 C ATOM 1296 CE LYS A 92 10.730 3.969 -9.951 1.00 0.00 C ATOM 1297 NZ LYS A 92 11.413 5.272 -10.206 1.00 0.00 N ATOM 0 H LYS A 92 10.065 0.434 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 92 11.304 2.440 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.593 1.096 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.057 2.554 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.821 2.223 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.715 3.098 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.882 4.900 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.949 4.497 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.447 3.252 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.360 3.560 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.196 5.128 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.733 5.947 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.786 5.649 -9.312 1.00 0.00 H new ATOM 1311 N ILE A 93 10.983 -0.411 -6.001 1.00 0.00 N ATOM 1312 CA ILE A 93 11.536 -1.079 -4.789 1.00 0.00 C ATOM 1313 C ILE A 93 13.015 -1.504 -4.897 1.00 0.00 C ATOM 1314 O ILE A 93 13.637 -1.802 -3.880 1.00 0.00 O ATOM 1315 CB ILE A 93 10.612 -2.185 -4.232 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.413 -3.445 -5.095 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.235 -1.575 -3.904 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.637 -4.358 -5.244 1.00 0.00 C ATOM 0 H ILE A 93 10.441 -1.026 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 93 11.551 -0.294 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 93 11.140 -2.550 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.598 -4.029 -4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.094 -3.133 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.578 -2.351 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.354 -0.788 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.798 -1.155 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.380 -5.212 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.452 -3.801 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.949 -4.711 -4.261 1.00 0.00 H new ATOM 1330 N GLU A 94 13.609 -1.481 -6.093 1.00 0.00 N ATOM 1331 CA GLU A 94 15.064 -1.554 -6.268 1.00 0.00 C ATOM 1332 C GLU A 94 15.721 -0.246 -5.788 1.00 0.00 C ATOM 1333 O GLU A 94 16.707 -0.283 -5.046 1.00 0.00 O ATOM 1334 CB GLU A 94 15.392 -1.830 -7.746 1.00 0.00 C ATOM 1335 CG GLU A 94 16.893 -1.933 -8.038 1.00 0.00 C ATOM 1336 CD GLU A 94 17.140 -1.980 -9.552 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.088 -0.906 -10.199 1.00 0.00 O ATOM 1338 OE2 GLU A 94 17.385 -3.081 -10.100 1.00 0.00 O ATOM 0 H GLU A 94 13.094 -1.411 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 94 15.464 -2.371 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.908 -2.759 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.966 -1.035 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.414 -1.080 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.301 -2.828 -7.568 1.00 0.00 H new ATOM 1345 N LYS A 95 15.179 0.911 -6.199 1.00 0.00 N ATOM 1346 CA LYS A 95 15.777 2.227 -5.904 1.00 0.00 C ATOM 1347 C LYS A 95 15.302 2.886 -4.587 1.00 0.00 C ATOM 1348 O LYS A 95 16.047 3.677 -4.002 1.00 0.00 O ATOM 1349 CB LYS A 95 15.589 3.120 -7.144 1.00 0.00 C ATOM 1350 CG LYS A 95 16.660 2.770 -8.198 1.00 0.00 C ATOM 1351 CD LYS A 95 16.435 3.478 -9.541 1.00 0.00 C ATOM 1352 CE LYS A 95 15.541 2.669 -10.498 1.00 0.00 C ATOM 1353 NZ LYS A 95 16.297 1.590 -11.200 1.00 0.00 N ATOM 0 H LYS A 95 14.318 0.963 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 95 16.839 2.082 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.592 2.976 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.669 4.170 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.643 3.039 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.665 1.692 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.980 4.452 -9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.399 3.659 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.718 2.227 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.100 3.340 -11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.753 1.266 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.217 1.959 -11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.448 0.792 -10.550 1.00 0.00 H new ATOM 1367 N ASN A 96 14.120 2.535 -4.066 1.00 0.00 N ATOM 1368 CA ASN A 96 13.685 2.864 -2.696 1.00 0.00 C ATOM 1369 C ASN A 96 14.463 2.036 -1.638 1.00 0.00 C ATOM 1370 O ASN A 96 15.002 0.974 -1.974 1.00 0.00 O ATOM 1371 CB ASN A 96 12.168 2.599 -2.544 1.00 0.00 C ATOM 1372 CG ASN A 96 11.250 3.544 -3.323 1.00 0.00 C ATOM 1373 OD1 ASN A 96 11.640 4.607 -3.793 1.00 0.00 O ATOM 1374 ND2 ASN A 96 9.984 3.181 -3.439 1.00 0.00 N ATOM 0 H ASN A 96 13.424 2.005 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 96 13.895 3.920 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 96 11.962 1.577 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 96 11.911 2.661 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.322 3.787 -3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.669 2.295 -3.044 1.00 0.00 H new ATOM 1381 N PRO A 97 14.477 2.458 -0.354 1.00 0.00 N ATOM 1382 CA PRO A 97 14.988 1.638 0.747 1.00 0.00 C ATOM 1383 C PRO A 97 14.080 0.437 1.069 1.00 0.00 C ATOM 1384 O PRO A 97 14.564 -0.571 1.581 1.00 0.00 O ATOM 1385 CB PRO A 97 15.106 2.592 1.940 1.00 0.00 C ATOM 1386 CG PRO A 97 14.029 3.641 1.670 1.00 0.00 C ATOM 1387 CD PRO A 97 14.052 3.763 0.147 1.00 0.00 C ATOM 0 HA PRO A 97 15.946 1.190 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 97 14.935 2.076 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.097 3.041 1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.053 3.322 2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.257 4.590 2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.067 4.027 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 97 14.740 4.546 -0.172 1.00 0.00 H new ATOM 1395 N LYS A 98 12.775 0.509 0.762 1.00 0.00 N ATOM 1396 CA LYS A 98 11.809 -0.559 0.977 1.00 0.00 C ATOM 1397 C LYS A 98 11.926 -1.718 -0.038 1.00 0.00 C ATOM 1398 O LYS A 98 12.205 -1.499 -1.214 1.00 0.00 O ATOM 1399 CB LYS A 98 10.421 0.098 0.928 1.00 0.00 C ATOM 1400 CG LYS A 98 9.941 0.662 2.277 1.00 0.00 C ATOM 1401 CD LYS A 98 9.866 -0.325 3.461 1.00 0.00 C ATOM 1402 CE LYS A 98 9.421 -1.762 3.112 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.967 -2.494 4.327 1.00 0.00 N ATOM 0 H LYS A 98 12.359 1.342 0.345 1.00 0.00 H new ATOM 0 HA LYS A 98 11.998 -1.032 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.439 0.905 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.696 -0.636 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.605 1.479 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.950 1.092 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.848 -0.373 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.177 0.078 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.613 -1.728 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.248 -2.299 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.966 -3.516 4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.612 -2.290 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.005 -2.188 4.578 1.00 0.00 H new ATOM 1417 N GLN A 99 11.622 -2.944 0.408 1.00 0.00 N ATOM 1418 CA GLN A 99 11.594 -4.194 -0.371 1.00 0.00 C ATOM 1419 C GLN A 99 10.243 -4.919 -0.128 1.00 0.00 C ATOM 1420 O GLN A 99 9.577 -4.612 0.868 1.00 0.00 O ATOM 1421 CB GLN A 99 12.777 -5.076 0.092 1.00 0.00 C ATOM 1422 CG GLN A 99 14.149 -4.504 -0.306 1.00 0.00 C ATOM 1423 CD GLN A 99 15.299 -5.401 0.161 1.00 0.00 C ATOM 1424 OE1 GLN A 99 15.919 -5.181 1.196 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.624 -6.457 -0.562 1.00 0.00 N ATOM 0 H GLN A 99 11.373 -3.102 1.384 1.00 0.00 H new ATOM 0 HA GLN A 99 11.688 -3.990 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.737 -5.187 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.668 -6.073 -0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.194 -4.390 -1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.266 -3.510 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.121 -6.658 -1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.378 -7.072 -0.256 1.00 0.00 H new ATOM 1434 N PRO A 100 9.823 -5.868 -0.995 1.00 0.00 N ATOM 1435 CA PRO A 100 8.612 -6.668 -0.794 1.00 0.00 C ATOM 1436 C PRO A 100 8.777 -7.666 0.359 1.00 0.00 C ATOM 1437 O PRO A 100 9.885 -8.089 0.692 1.00 0.00 O ATOM 1438 CB PRO A 100 8.361 -7.383 -2.128 1.00 0.00 C ATOM 1439 CG PRO A 100 9.765 -7.534 -2.709 1.00 0.00 C ATOM 1440 CD PRO A 100 10.458 -6.251 -2.253 1.00 0.00 C ATOM 0 HA PRO A 100 7.766 -6.041 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.879 -8.350 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.714 -6.799 -2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.267 -8.423 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.746 -7.620 -3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.527 -6.414 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.349 -5.464 -2.999 1.00 0.00 H new ATOM 1448 N GLN A 101 7.639 -8.060 0.941 1.00 0.00 N ATOM 1449 CA GLN A 101 7.558 -8.995 2.069 1.00 0.00 C ATOM 1450 C GLN A 101 6.157 -9.612 2.217 1.00 0.00 C ATOM 1451 O GLN A 101 6.053 -10.800 2.520 1.00 0.00 O ATOM 1452 CB GLN A 101 8.027 -8.305 3.369 1.00 0.00 C ATOM 1453 CG GLN A 101 7.179 -7.097 3.814 1.00 0.00 C ATOM 1454 CD GLN A 101 7.842 -6.325 4.956 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.367 -5.231 4.776 1.00 0.00 O ATOM 1456 NE2 GLN A 101 7.869 -6.856 6.163 1.00 0.00 N ATOM 0 H GLN A 101 6.725 -7.729 0.633 1.00 0.00 H new ATOM 0 HA GLN A 101 8.231 -9.827 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.030 -9.042 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.057 -7.976 3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.025 -6.430 2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.195 -7.441 4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.437 -7.765 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.322 -6.358 6.929 1.00 0.00 H new ATOM 1465 N TYR A 102 5.085 -8.838 1.970 1.00 0.00 N ATOM 1466 CA TYR A 102 3.691 -9.309 2.123 1.00 0.00 C ATOM 1467 C TYR A 102 2.905 -9.449 0.808 1.00 0.00 C ATOM 1468 O TYR A 102 1.718 -9.781 0.832 1.00 0.00 O ATOM 1469 CB TYR A 102 2.967 -8.415 3.149 1.00 0.00 C ATOM 1470 CG TYR A 102 2.314 -9.201 4.272 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.121 -9.774 5.275 1.00 0.00 C ATOM 1472 CD2 TYR A 102 0.916 -9.373 4.316 1.00 0.00 C ATOM 1473 CE1 TYR A 102 2.538 -10.509 6.323 1.00 0.00 C ATOM 1474 CE2 TYR A 102 0.325 -10.104 5.366 1.00 0.00 C ATOM 1475 CZ TYR A 102 1.136 -10.675 6.375 1.00 0.00 C ATOM 1476 OH TYR A 102 0.575 -11.385 7.395 1.00 0.00 O ATOM 0 H TYR A 102 5.157 -7.869 1.659 1.00 0.00 H new ATOM 0 HA TYR A 102 3.740 -10.333 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.681 -7.710 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.206 -7.827 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 102 4.193 -9.648 5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.296 -8.944 3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.162 -10.947 7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.747 -10.228 5.400 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.398 -11.404 7.284 1.00 0.00 H new ATOM 1486 N ILE A 103 3.556 -9.232 -0.343 1.00 0.00 N ATOM 1487 CA ILE A 103 3.006 -9.558 -1.669 1.00 0.00 C ATOM 1488 C ILE A 103 3.773 -10.747 -2.292 1.00 0.00 C ATOM 1489 O ILE A 103 5.005 -10.770 -2.294 1.00 0.00 O ATOM 1490 CB ILE A 103 2.958 -8.297 -2.569 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.050 -8.551 -3.794 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.354 -7.799 -2.989 1.00 0.00 C ATOM 1493 CD1 ILE A 103 1.747 -7.296 -4.622 1.00 0.00 C ATOM 0 H ILE A 103 4.489 -8.821 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 103 1.972 -9.886 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 103 2.528 -7.492 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.525 -9.291 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.110 -8.983 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.251 -6.914 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.933 -7.548 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.867 -8.582 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.105 -7.561 -5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.241 -6.561 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.679 -6.874 -4.997 1.00 0.00 H new ATOM 1505 N ILE A 104 3.042 -11.749 -2.786 1.00 0.00 N ATOM 1506 CA ILE A 104 3.561 -13.023 -3.333 1.00 0.00 C ATOM 1507 C ILE A 104 3.228 -13.169 -4.832 1.00 0.00 C ATOM 1508 O ILE A 104 2.131 -12.828 -5.268 1.00 0.00 O ATOM 1509 CB ILE A 104 2.976 -14.206 -2.516 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.205 -14.085 -0.986 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.506 -15.564 -3.013 1.00 0.00 C ATOM 1512 CD1 ILE A 104 4.671 -14.055 -0.532 1.00 0.00 C ATOM 0 H ILE A 104 2.024 -11.701 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 104 4.647 -13.027 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 104 1.900 -14.155 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.717 -13.176 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.709 -14.923 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.072 -16.365 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.230 -15.702 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.592 -15.588 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.714 -13.969 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.167 -14.975 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.175 -13.201 -0.984 1.00 0.00 H new ATOM 1524 N SER A 105 4.144 -13.710 -5.632 1.00 0.00 N ATOM 1525 CA SER A 105 3.971 -13.975 -7.065 1.00 0.00 C ATOM 1526 C SER A 105 3.103 -15.229 -7.310 1.00 0.00 C ATOM 1527 O SER A 105 3.408 -16.305 -6.790 1.00 0.00 O ATOM 1528 CB SER A 105 5.346 -14.199 -7.727 1.00 0.00 C ATOM 1529 OG SER A 105 6.309 -13.222 -7.338 1.00 0.00 O ATOM 0 H SER A 105 5.064 -13.988 -5.290 1.00 0.00 H new ATOM 0 HA SER A 105 3.472 -13.109 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.714 -15.191 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.231 -14.178 -8.811 1.00 0.00 H new ATOM 0 HG SER A 105 6.004 -12.333 -7.616 1.00 0.00 H new ATOM 1535 N VAL A 106 2.056 -15.118 -8.138 1.00 0.00 N ATOM 1536 CA VAL A 106 1.179 -16.238 -8.554 1.00 0.00 C ATOM 1537 C VAL A 106 1.254 -16.420 -10.077 1.00 0.00 C ATOM 1538 O VAL A 106 0.572 -15.731 -10.839 1.00 0.00 O ATOM 1539 CB VAL A 106 -0.285 -16.051 -8.075 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -1.128 -17.303 -8.380 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.365 -15.760 -6.566 1.00 0.00 C ATOM 0 H VAL A 106 1.782 -14.227 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 106 1.542 -17.146 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.681 -15.194 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.150 -17.147 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.132 -17.486 -9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.699 -18.164 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.408 -15.636 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.071 -16.591 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.185 -14.846 -6.342 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.065 -13.341 -11.611 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.567 -12.720 -10.391 1.00 0.00 C ATOM 1603 C GLY A 110 -0.439 -12.385 -9.416 1.00 0.00 C ATOM 1604 O GLY A 110 0.570 -13.088 -9.355 1.00 0.00 O ATOM 0 HA2 GLY A 110 -2.110 -11.810 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.277 -13.391 -9.908 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.625 -11.355 -8.593 1.00 0.00 N ATOM 1609 CA TYR A 111 0.181 -11.139 -7.382 1.00 0.00 C ATOM 1610 C TYR A 111 -0.718 -10.970 -6.157 1.00 0.00 C ATOM 1611 O TYR A 111 -1.579 -10.098 -6.094 1.00 0.00 O ATOM 1612 CB TYR A 111 1.115 -9.939 -7.525 1.00 0.00 C ATOM 1613 CG TYR A 111 2.369 -10.203 -8.343 1.00 0.00 C ATOM 1614 CD1 TYR A 111 2.292 -10.450 -9.728 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.621 -10.253 -7.699 1.00 0.00 C ATOM 1616 CE1 TYR A 111 3.446 -10.800 -10.455 1.00 0.00 C ATOM 1617 CE2 TYR A 111 4.784 -10.557 -8.429 1.00 0.00 C ATOM 1618 CZ TYR A 111 4.702 -10.846 -9.809 1.00 0.00 C ATOM 1619 OH TYR A 111 5.830 -11.177 -10.501 1.00 0.00 O ATOM 0 H TYR A 111 -1.339 -10.642 -8.743 1.00 0.00 H new ATOM 0 HA TYR A 111 0.801 -12.025 -7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.563 -9.119 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.410 -9.605 -6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.342 -10.370 -10.235 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.688 -10.057 -6.639 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.371 -11.033 -11.507 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.743 -10.569 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 111 6.602 -11.157 -9.897 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.503 -11.838 -5.178 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.341 -12.002 -3.989 1.00 0.00 C ATOM 1631 C LYS A 112 -0.851 -11.121 -2.838 1.00 0.00 C ATOM 1632 O LYS A 112 0.297 -11.233 -2.418 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.393 -13.495 -3.615 1.00 0.00 C ATOM 1634 CG LYS A 112 -2.351 -13.826 -2.453 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.641 -13.978 -1.098 1.00 0.00 C ATOM 1636 CE LYS A 112 -2.684 -14.144 0.020 1.00 0.00 C ATOM 1637 NZ LYS A 112 -2.055 -14.499 1.323 1.00 0.00 N ATOM 0 H LYS A 112 0.293 -12.476 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.356 -11.669 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.694 -14.067 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.389 -13.826 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.101 -13.039 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.882 -14.750 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.977 -14.842 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.020 -13.104 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.248 -13.218 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.397 -14.919 -0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.624 -14.108 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.007 -15.534 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.094 -14.103 1.364 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.733 -10.283 -2.306 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.522 -9.416 -1.138 1.00 0.00 C ATOM 1653 C LEU A 113 -2.534 -9.813 -0.047 1.00 0.00 C ATOM 1654 O LEU A 113 -3.490 -10.537 -0.323 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.662 -7.955 -1.637 1.00 0.00 C ATOM 1656 CG LEU A 113 -1.491 -6.809 -0.615 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.107 -6.818 0.049 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.706 -5.461 -1.315 1.00 0.00 C ATOM 0 H LEU A 113 -2.670 -10.180 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.536 -9.521 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.930 -7.804 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.648 -7.852 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.234 -6.959 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.038 -5.993 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.038 -7.762 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.663 -6.706 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.585 -4.653 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.975 -5.346 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.711 -5.425 -1.735 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.361 -9.340 1.187 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.325 -9.585 2.274 1.00 0.00 C ATOM 1672 C GLU A 114 -3.402 -8.423 3.283 1.00 0.00 C ATOM 1673 O GLU A 114 -2.441 -7.671 3.470 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.983 -10.932 2.939 1.00 0.00 C ATOM 1675 CG GLU A 114 -4.077 -11.499 3.852 1.00 0.00 C ATOM 1676 CD GLU A 114 -3.710 -12.911 4.338 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.684 -13.852 3.509 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -3.441 -13.092 5.550 1.00 0.00 O ATOM 0 H GLU A 114 -1.556 -8.779 1.466 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.328 -9.641 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.768 -11.662 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.070 -10.811 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.218 -10.840 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.025 -11.530 3.314 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.584 -8.279 3.898 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.963 -7.248 4.877 1.00 0.00 C ATOM 1687 C TYR A 115 -4.262 -7.431 6.242 1.00 0.00 C ATOM 1688 O TYR A 115 -3.647 -6.456 6.737 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.495 -7.283 5.009 1.00 0.00 C ATOM 1690 CG TYR A 115 -7.115 -6.266 5.950 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -7.443 -4.979 5.482 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.430 -6.632 7.273 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -8.112 -4.069 6.324 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.078 -5.717 8.126 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.426 -4.433 7.653 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.071 -3.562 8.478 1.00 0.00 O ATOM 1697 OXT TYR A 115 -4.326 -8.542 6.823 1.00 0.00 O ATOM 0 H TYR A 115 -5.353 -8.923 3.713 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.632 -6.271 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.927 -7.139 4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.786 -8.279 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -7.181 -4.689 4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.174 -7.617 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.385 -3.092 5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.309 -5.998 9.143 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.206 -3.980 9.354 1.00 0.00 H new