USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 758 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot -64:sc= 1.23 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.385 K(o=0.84,f=-3.4) USER MOD Set 3.1: A 38 GLN : amide:sc= -1.16 K(o=-2.4,f=-3!) USER MOD Set 3.2: A 42 MET CE :methyl -110:sc= -1.25 (180deg=-0.402) USER MOD Set 4.1: A 22 TYR OH : rot 38:sc= 0.137 USER MOD Set 4.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -30:sc= 0.486 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -22:sc= 0.65 USER MOD Single : A 23 MET CE :methyl -155:sc= -2.69! (180deg=-2.97!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.675 K(o=-0.67,f=0) USER MOD Single : A 40 HIS : no HE2:sc= 0.0214 K(o=0.021,f=-1) USER MOD Single : A 48 SER OG : rot -124:sc= -1.27 USER MOD Single : A 60 SER OG : rot -154:sc= 0.548 USER MOD Single : A 62 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.19 K(o=-2.2,f=-1.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.28) USER MOD Single : A 87 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-12!) USER MOD Single : A 95 TYR OH : rot 130:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= -0.152 (180deg=-0.903) USER MOD Single : A 98 HIS : no HE2:sc= -6.56! C(o=-6.6!,f=-4.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -26:sc= 0.233 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.873 12.826 -4.430 1.00 0.00 N ATOM 106 CA ALA A 11 -4.509 11.450 -4.746 1.00 0.00 C ATOM 107 C ALA A 11 -4.932 11.083 -6.164 1.00 0.00 C ATOM 108 O ALA A 11 -6.122 11.014 -6.469 1.00 0.00 O ATOM 109 CB ALA A 11 -5.136 10.495 -3.742 1.00 0.00 C ATOM 0 HA ALA A 11 -3.424 11.363 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.856 9.471 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.781 10.736 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.221 10.593 -3.776 1.00 0.00 H new ATOM 115 N ARG A 12 -3.949 10.848 -7.027 1.00 0.00 N ATOM 116 CA ARG A 12 -4.219 10.490 -8.414 1.00 0.00 C ATOM 117 C ARG A 12 -3.484 9.209 -8.798 1.00 0.00 C ATOM 118 O ARG A 12 -2.321 9.244 -9.200 1.00 0.00 O ATOM 119 CB ARG A 12 -3.804 11.628 -9.348 1.00 0.00 C ATOM 120 CG ARG A 12 -4.343 11.484 -10.762 1.00 0.00 C ATOM 121 CD ARG A 12 -5.768 12.004 -10.870 1.00 0.00 C ATOM 122 NE ARG A 12 -6.492 11.388 -11.978 1.00 0.00 N ATOM 123 CZ ARG A 12 -7.094 10.207 -11.896 1.00 0.00 C ATOM 124 NH1 ARG A 12 -7.059 9.518 -10.764 1.00 0.00 N ATOM 125 NH2 ARG A 12 -7.734 9.712 -12.948 1.00 0.00 N ATOM 0 H ARG A 12 -2.958 10.899 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.291 10.319 -8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.151 12.574 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.716 11.676 -9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.702 12.030 -11.454 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.313 10.436 -11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.297 11.808 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.750 13.085 -11.005 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.538 11.892 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.569 9.895 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.522 8.611 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.764 10.239 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.196 8.805 -12.884 1.00 0.00 H new ATOM 139 N PHE A 13 -4.171 8.078 -8.670 1.00 0.00 N ATOM 140 CA PHE A 13 -3.583 6.785 -9.001 1.00 0.00 C ATOM 141 C PHE A 13 -4.632 5.679 -8.939 1.00 0.00 C ATOM 142 O PHE A 13 -5.694 5.848 -8.339 1.00 0.00 O ATOM 143 CB PHE A 13 -2.430 6.465 -8.047 1.00 0.00 C ATOM 144 CG PHE A 13 -2.873 6.224 -6.632 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.144 7.288 -5.787 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.019 4.935 -6.147 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.551 7.070 -4.484 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.425 4.710 -4.846 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.693 5.779 -4.013 1.00 0.00 C ATOM 0 H PHE A 13 -5.135 8.031 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.198 6.839 -10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.903 5.583 -8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.718 7.290 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.036 8.299 -6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.813 4.095 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.758 7.908 -3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.533 3.699 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.013 5.606 -2.996 1.00 0.00 H new ATOM 159 N ASP A 14 -4.327 4.547 -9.563 1.00 0.00 N ATOM 160 CA ASP A 14 -5.242 3.411 -9.579 1.00 0.00 C ATOM 161 C ASP A 14 -4.797 2.341 -8.587 1.00 0.00 C ATOM 162 O ASP A 14 -3.784 1.673 -8.793 1.00 0.00 O ATOM 163 CB ASP A 14 -5.327 2.817 -10.986 1.00 0.00 C ATOM 164 CG ASP A 14 -5.672 3.857 -12.034 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.760 4.461 -11.933 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.855 4.066 -12.955 1.00 0.00 O ATOM 0 H ASP A 14 -3.453 4.391 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.229 3.767 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.374 2.353 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.079 2.028 -10.999 1.00 0.00 H new ATOM 171 N SER A 15 -5.561 2.185 -7.511 1.00 0.00 N ATOM 172 CA SER A 15 -5.243 1.199 -6.485 1.00 0.00 C ATOM 173 C SER A 15 -5.426 -0.219 -7.018 1.00 0.00 C ATOM 174 O SER A 15 -4.827 -1.167 -6.510 1.00 0.00 O ATOM 175 CB SER A 15 -6.127 1.411 -5.253 1.00 0.00 C ATOM 176 OG SER A 15 -6.088 2.760 -4.824 1.00 0.00 O ATOM 0 H SER A 15 -6.404 2.728 -7.327 1.00 0.00 H new ATOM 0 HA SER A 15 -4.199 1.330 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.154 1.130 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.793 0.759 -4.445 1.00 0.00 H new ATOM 0 HG SER A 15 -5.217 3.150 -5.049 1.00 0.00 H new ATOM 182 N SER A 16 -6.258 -0.355 -8.045 1.00 0.00 N ATOM 183 CA SER A 16 -6.523 -1.657 -8.646 1.00 0.00 C ATOM 184 C SER A 16 -5.331 -2.127 -9.474 1.00 0.00 C ATOM 185 O SER A 16 -5.057 -3.324 -9.565 1.00 0.00 O ATOM 186 CB SER A 16 -7.774 -1.591 -9.525 1.00 0.00 C ATOM 187 OG SER A 16 -8.240 -2.890 -9.846 1.00 0.00 O ATOM 0 H SER A 16 -6.760 0.420 -8.478 1.00 0.00 H new ATOM 0 HA SER A 16 -6.689 -2.373 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.557 -1.038 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.550 -1.045 -10.441 1.00 0.00 H new ATOM 0 HG SER A 16 -9.041 -2.821 -10.407 1.00 0.00 H new ATOM 193 N ASP A 17 -4.625 -1.176 -10.075 1.00 0.00 N ATOM 194 CA ASP A 17 -3.460 -1.491 -10.895 1.00 0.00 C ATOM 195 C ASP A 17 -2.262 -1.848 -10.021 1.00 0.00 C ATOM 196 O ASP A 17 -1.563 -0.968 -9.519 1.00 0.00 O ATOM 197 CB ASP A 17 -3.113 -0.308 -11.800 1.00 0.00 C ATOM 198 CG ASP A 17 -2.101 -0.674 -12.868 1.00 0.00 C ATOM 199 OD1 ASP A 17 -2.520 -1.152 -13.943 1.00 0.00 O ATOM 200 OD2 ASP A 17 -0.890 -0.484 -12.629 1.00 0.00 O ATOM 0 H ASP A 17 -4.838 -0.181 -10.010 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.704 -2.353 -11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.022 0.061 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.718 0.507 -11.193 1.00 0.00 H new ATOM 205 N ARG A 18 -2.031 -3.145 -9.844 1.00 0.00 N ATOM 206 CA ARG A 18 -0.918 -3.618 -9.029 1.00 0.00 C ATOM 207 C ARG A 18 0.417 -3.212 -9.645 1.00 0.00 C ATOM 208 O ARG A 18 1.348 -2.831 -8.935 1.00 0.00 O ATOM 209 CB ARG A 18 -0.981 -5.139 -8.878 1.00 0.00 C ATOM 210 CG ARG A 18 -1.762 -5.598 -7.658 1.00 0.00 C ATOM 211 CD ARG A 18 -2.432 -6.943 -7.898 1.00 0.00 C ATOM 212 NE ARG A 18 -3.433 -7.245 -6.879 1.00 0.00 N ATOM 213 CZ ARG A 18 -4.157 -8.359 -6.868 1.00 0.00 C ATOM 214 NH1 ARG A 18 -3.992 -9.270 -7.817 1.00 0.00 N ATOM 215 NH2 ARG A 18 -5.049 -8.562 -5.907 1.00 0.00 N ATOM 0 H ARG A 18 -2.599 -3.886 -10.254 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.999 -3.158 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.436 -5.566 -9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.034 -5.532 -8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.091 -5.672 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.518 -4.854 -7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.904 -6.943 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.676 -7.728 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.585 -6.564 -6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.308 -9.117 -8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.549 -10.124 -7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.179 -7.863 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.604 -9.417 -5.899 1.00 0.00 H new ATOM 229 N SER A 19 0.504 -3.298 -10.968 1.00 0.00 N ATOM 230 CA SER A 19 1.727 -2.943 -11.679 1.00 0.00 C ATOM 231 C SER A 19 2.034 -1.457 -11.524 1.00 0.00 C ATOM 232 O SER A 19 3.066 -0.973 -11.987 1.00 0.00 O ATOM 233 CB SER A 19 1.601 -3.298 -13.162 1.00 0.00 C ATOM 234 OG SER A 19 2.776 -2.945 -13.872 1.00 0.00 O ATOM 0 H SER A 19 -0.258 -3.611 -11.570 1.00 0.00 H new ATOM 0 HA SER A 19 2.549 -3.513 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.415 -4.367 -13.269 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.743 -2.780 -13.592 1.00 0.00 H new ATOM 0 HG SER A 19 3.263 -2.254 -13.376 1.00 0.00 H new ATOM 240 N ALA A 20 1.128 -0.737 -10.869 1.00 0.00 N ATOM 241 CA ALA A 20 1.302 0.694 -10.651 1.00 0.00 C ATOM 242 C ALA A 20 1.798 0.977 -9.237 1.00 0.00 C ATOM 243 O ALA A 20 2.452 1.991 -8.990 1.00 0.00 O ATOM 244 CB ALA A 20 -0.004 1.429 -10.911 1.00 0.00 C ATOM 0 H ALA A 20 0.267 -1.121 -10.481 1.00 0.00 H new ATOM 0 HA ALA A 20 2.055 1.055 -11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.140 2.497 -10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.317 1.261 -11.942 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.772 1.057 -10.233 1.00 0.00 H new ATOM 250 N TRP A 21 1.483 0.077 -8.313 1.00 0.00 N ATOM 251 CA TRP A 21 1.897 0.231 -6.923 1.00 0.00 C ATOM 252 C TRP A 21 2.547 -1.047 -6.404 1.00 0.00 C ATOM 253 O TRP A 21 3.608 -1.005 -5.781 1.00 0.00 O ATOM 254 CB TRP A 21 0.697 0.599 -6.050 1.00 0.00 C ATOM 255 CG TRP A 21 -0.503 -0.266 -6.294 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.532 -0.015 -7.157 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.798 -1.519 -5.668 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.449 -1.037 -7.104 1.00 0.00 N ATOM 259 CE2 TRP A 21 -2.022 -1.972 -6.199 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.147 -2.303 -4.711 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.605 -3.173 -5.803 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.728 -3.494 -4.320 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.946 -3.920 -4.865 1.00 0.00 C ATOM 0 H TRP A 21 0.942 -0.767 -8.501 1.00 0.00 H new ATOM 0 HA TRP A 21 2.632 1.035 -6.875 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.983 0.523 -5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.429 1.640 -6.233 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.613 0.858 -7.788 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.309 -1.091 -7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.793 -1.984 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.544 -3.503 -6.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.234 -4.107 -3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.373 -4.857 -4.538 1.00 0.00 H new ATOM 274 N TYR A 22 1.904 -2.180 -6.663 1.00 0.00 N ATOM 275 CA TYR A 22 2.419 -3.469 -6.219 1.00 0.00 C ATOM 276 C TYR A 22 3.819 -3.718 -6.774 1.00 0.00 C ATOM 277 O TYR A 22 3.977 -4.169 -7.908 1.00 0.00 O ATOM 278 CB TYR A 22 1.479 -4.595 -6.654 1.00 0.00 C ATOM 279 CG TYR A 22 1.878 -5.955 -6.126 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.396 -6.100 -4.846 1.00 0.00 C ATOM 281 CD2 TYR A 22 1.734 -7.094 -6.908 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.763 -7.341 -4.360 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.096 -8.339 -6.430 1.00 0.00 C ATOM 284 CZ TYR A 22 2.610 -8.457 -5.156 1.00 0.00 C ATOM 285 OH TYR A 22 2.972 -9.694 -4.675 1.00 0.00 O ATOM 0 H TYR A 22 1.025 -2.232 -7.178 1.00 0.00 H new ATOM 0 HA TYR A 22 2.477 -3.452 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.469 -4.365 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.449 -4.632 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.514 -5.228 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.332 -7.005 -7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.167 -7.436 -3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.977 -9.215 -7.051 1.00 0.00 H new ATOM 0 HH TYR A 22 2.743 -9.755 -3.724 1.00 0.00 H new ATOM 295 N MET A 23 4.830 -3.420 -5.966 1.00 0.00 N ATOM 296 CA MET A 23 6.217 -3.612 -6.374 1.00 0.00 C ATOM 297 C MET A 23 6.780 -4.906 -5.795 1.00 0.00 C ATOM 298 O MET A 23 7.948 -4.969 -5.412 1.00 0.00 O ATOM 299 CB MET A 23 7.072 -2.424 -5.928 1.00 0.00 C ATOM 300 CG MET A 23 6.415 -1.076 -6.173 1.00 0.00 C ATOM 301 SD MET A 23 7.615 0.244 -6.435 1.00 0.00 S ATOM 302 CE MET A 23 6.540 1.581 -6.952 1.00 0.00 C ATOM 0 H MET A 23 4.715 -3.045 -5.025 1.00 0.00 H new ATOM 0 HA MET A 23 6.243 -3.680 -7.462 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.292 -2.524 -4.865 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.026 -2.455 -6.455 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.763 -1.147 -7.043 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.783 -0.824 -5.321 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.106 2.290 -7.557 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.716 1.178 -7.541 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.144 2.090 -6.073 1.00 0.00 H new ATOM 312 N GLY A 24 5.942 -5.936 -5.733 1.00 0.00 N ATOM 313 CA GLY A 24 6.375 -7.213 -5.198 1.00 0.00 C ATOM 314 C GLY A 24 7.880 -7.384 -5.251 1.00 0.00 C ATOM 315 O GLY A 24 8.558 -7.425 -4.225 1.00 0.00 O ATOM 0 H GLY A 24 4.971 -5.909 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.038 -7.304 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.901 -8.018 -5.760 1.00 0.00 H new ATOM 319 N PRO A 25 8.425 -7.489 -6.472 1.00 0.00 N ATOM 320 CA PRO A 25 9.865 -7.659 -6.685 1.00 0.00 C ATOM 321 C PRO A 25 10.655 -6.403 -6.333 1.00 0.00 C ATOM 322 O PRO A 25 11.159 -5.707 -7.214 1.00 0.00 O ATOM 323 CB PRO A 25 9.970 -7.954 -8.183 1.00 0.00 C ATOM 324 CG PRO A 25 8.757 -7.328 -8.779 1.00 0.00 C ATOM 325 CD PRO A 25 7.676 -7.448 -7.740 1.00 0.00 C ATOM 0 HA PRO A 25 10.281 -8.443 -6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.882 -7.532 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.996 -9.027 -8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.941 -6.284 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.470 -7.834 -9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.990 -6.602 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.079 -8.349 -7.883 1.00 0.00 H new ATOM 333 N VAL A 26 10.761 -6.120 -5.038 1.00 0.00 N ATOM 334 CA VAL A 26 11.492 -4.948 -4.569 1.00 0.00 C ATOM 335 C VAL A 26 12.136 -5.209 -3.213 1.00 0.00 C ATOM 336 O VAL A 26 11.461 -5.587 -2.255 1.00 0.00 O ATOM 337 CB VAL A 26 10.570 -3.719 -4.459 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.200 -2.657 -3.571 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.264 -3.158 -5.840 1.00 0.00 C ATOM 0 H VAL A 26 10.350 -6.686 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 26 12.270 -4.745 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 26 9.631 -4.030 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.534 -1.796 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.364 -3.066 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.154 -2.346 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.611 -2.290 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.193 -2.861 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.768 -3.920 -6.441 1.00 0.00 H new ATOM 349 N SER A 27 13.448 -5.005 -3.138 1.00 0.00 N ATOM 350 CA SER A 27 14.185 -5.222 -1.899 1.00 0.00 C ATOM 351 C SER A 27 14.045 -4.022 -0.966 1.00 0.00 C ATOM 352 O SER A 27 13.904 -2.885 -1.417 1.00 0.00 O ATOM 353 CB SER A 27 15.663 -5.479 -2.199 1.00 0.00 C ATOM 354 OG SER A 27 15.897 -6.849 -2.474 1.00 0.00 O ATOM 0 H SER A 27 14.022 -4.690 -3.920 1.00 0.00 H new ATOM 0 HA SER A 27 13.764 -6.097 -1.403 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.974 -4.875 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.269 -5.167 -1.349 1.00 0.00 H new ATOM 0 HG SER A 27 16.848 -6.987 -2.664 1.00 0.00 H new ATOM 360 N ARG A 28 14.085 -4.285 0.336 1.00 0.00 N ATOM 361 CA ARG A 28 13.961 -3.229 1.333 1.00 0.00 C ATOM 362 C ARG A 28 14.891 -2.063 1.008 1.00 0.00 C ATOM 363 O ARG A 28 14.444 -0.931 0.831 1.00 0.00 O ATOM 364 CB ARG A 28 14.277 -3.774 2.727 1.00 0.00 C ATOM 365 CG ARG A 28 13.974 -2.793 3.848 1.00 0.00 C ATOM 366 CD ARG A 28 14.840 -3.058 5.069 1.00 0.00 C ATOM 367 NE ARG A 28 14.409 -4.247 5.798 1.00 0.00 N ATOM 368 CZ ARG A 28 14.733 -4.491 7.063 1.00 0.00 C ATOM 369 NH1 ARG A 28 15.487 -3.632 7.736 1.00 0.00 N ATOM 370 NH2 ARG A 28 14.302 -5.596 7.658 1.00 0.00 N ATOM 0 H ARG A 28 14.202 -5.221 0.725 1.00 0.00 H new ATOM 0 HA ARG A 28 12.933 -2.867 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.704 -4.687 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.331 -4.048 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.140 -1.775 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.922 -2.867 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.878 -3.180 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.805 -2.194 5.732 1.00 0.00 H new ATOM 0 HE ARG A 28 13.827 -4.928 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.820 -2.781 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.734 -3.822 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.722 -6.259 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.551 -5.783 8.629 1.00 0.00 H new ATOM 384 N GLN A 29 16.187 -2.350 0.933 1.00 0.00 N ATOM 385 CA GLN A 29 17.180 -1.325 0.631 1.00 0.00 C ATOM 386 C GLN A 29 16.730 -0.461 -0.542 1.00 0.00 C ATOM 387 O GLN A 29 17.072 0.719 -0.622 1.00 0.00 O ATOM 388 CB GLN A 29 18.530 -1.971 0.316 1.00 0.00 C ATOM 389 CG GLN A 29 18.928 -3.061 1.298 1.00 0.00 C ATOM 390 CD GLN A 29 20.431 -3.202 1.437 1.00 0.00 C ATOM 391 OE1 GLN A 29 21.092 -3.793 0.583 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.979 -2.657 2.517 1.00 0.00 N ATOM 0 H GLN A 29 16.574 -3.283 1.077 1.00 0.00 H new ATOM 0 HA GLN A 29 17.286 -0.687 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.495 -2.393 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 29 19.300 -1.200 0.311 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.496 -2.841 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.507 -4.011 0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 29 20.392 -2.176 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.986 -2.719 2.664 1.00 0.00 H new ATOM 401 N GLU A 30 15.962 -1.056 -1.449 1.00 0.00 N ATOM 402 CA GLU A 30 15.467 -0.339 -2.618 1.00 0.00 C ATOM 403 C GLU A 30 14.248 0.507 -2.262 1.00 0.00 C ATOM 404 O GLU A 30 14.313 1.736 -2.253 1.00 0.00 O ATOM 405 CB GLU A 30 15.110 -1.323 -3.734 1.00 0.00 C ATOM 406 CG GLU A 30 14.909 -0.662 -5.088 1.00 0.00 C ATOM 407 CD GLU A 30 15.219 -1.594 -6.243 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.309 -2.203 -6.238 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.372 -1.713 -7.153 1.00 0.00 O ATOM 0 H GLU A 30 15.669 -2.032 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 30 16.258 0.324 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.901 -2.068 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.199 -1.855 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.878 -0.317 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.546 0.220 -5.156 1.00 0.00 H new ATOM 416 N ALA A 31 13.136 -0.160 -1.970 1.00 0.00 N ATOM 417 CA ALA A 31 11.903 0.529 -1.612 1.00 0.00 C ATOM 418 C ALA A 31 12.192 1.780 -0.789 1.00 0.00 C ATOM 419 O ALA A 31 11.440 2.753 -0.837 1.00 0.00 O ATOM 420 CB ALA A 31 10.979 -0.407 -0.847 1.00 0.00 C ATOM 0 H ALA A 31 13.064 -1.177 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 31 11.408 0.838 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.062 0.121 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.737 -1.269 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.475 -0.744 0.063 1.00 0.00 H new ATOM 426 N GLN A 32 13.285 1.746 -0.033 1.00 0.00 N ATOM 427 CA GLN A 32 13.672 2.877 0.802 1.00 0.00 C ATOM 428 C GLN A 32 14.177 4.036 -0.052 1.00 0.00 C ATOM 429 O GLN A 32 13.733 5.174 0.101 1.00 0.00 O ATOM 430 CB GLN A 32 14.751 2.455 1.801 1.00 0.00 C ATOM 431 CG GLN A 32 14.192 1.896 3.099 1.00 0.00 C ATOM 432 CD GLN A 32 15.130 2.097 4.273 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.652 1.136 4.838 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.350 3.352 4.647 1.00 0.00 N ATOM 0 H GLN A 32 13.918 0.948 0.018 1.00 0.00 H new ATOM 0 HA GLN A 32 12.791 3.211 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.390 1.704 1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.382 3.315 2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.237 2.376 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.993 0.831 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.897 4.119 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.972 3.549 5.431 1.00 0.00 H new ATOM 443 N THR A 33 15.110 3.739 -0.951 1.00 0.00 N ATOM 444 CA THR A 33 15.678 4.756 -1.828 1.00 0.00 C ATOM 445 C THR A 33 14.598 5.411 -2.681 1.00 0.00 C ATOM 446 O THR A 33 14.742 6.555 -3.111 1.00 0.00 O ATOM 447 CB THR A 33 16.757 4.161 -2.753 1.00 0.00 C ATOM 448 OG1 THR A 33 17.488 5.214 -3.392 1.00 0.00 O ATOM 449 CG2 THR A 33 16.130 3.260 -3.806 1.00 0.00 C ATOM 0 H THR A 33 15.489 2.802 -1.091 1.00 0.00 H new ATOM 0 HA THR A 33 16.136 5.508 -1.185 1.00 0.00 H new ATOM 0 HB THR A 33 17.437 3.564 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.173 4.828 -3.977 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.911 2.852 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.598 2.444 -3.317 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.430 3.838 -4.410 1.00 0.00 H new ATOM 457 N ARG A 34 13.515 4.678 -2.922 1.00 0.00 N ATOM 458 CA ARG A 34 12.411 5.189 -3.725 1.00 0.00 C ATOM 459 C ARG A 34 11.563 6.171 -2.921 1.00 0.00 C ATOM 460 O ARG A 34 11.022 7.133 -3.468 1.00 0.00 O ATOM 461 CB ARG A 34 11.539 4.035 -4.224 1.00 0.00 C ATOM 462 CG ARG A 34 12.320 2.765 -4.520 1.00 0.00 C ATOM 463 CD ARG A 34 11.571 1.864 -5.490 1.00 0.00 C ATOM 464 NE ARG A 34 11.869 2.191 -6.882 1.00 0.00 N ATOM 465 CZ ARG A 34 11.523 1.421 -7.908 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.870 0.286 -7.699 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.829 1.787 -9.146 1.00 0.00 N ATOM 0 H ARG A 34 13.379 3.729 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 34 12.831 5.715 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.777 3.817 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.017 4.350 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.292 3.024 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.506 2.226 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.836 0.824 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.499 1.957 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 34 12.370 3.058 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.632 0.002 -6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.606 -0.303 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.330 2.660 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.563 1.195 -9.933 1.00 0.00 H new ATOM 481 N LEU A 35 11.451 5.921 -1.621 1.00 0.00 N ATOM 482 CA LEU A 35 10.669 6.783 -0.742 1.00 0.00 C ATOM 483 C LEU A 35 11.572 7.524 0.238 1.00 0.00 C ATOM 484 O LEU A 35 11.100 8.092 1.223 1.00 0.00 O ATOM 485 CB LEU A 35 9.634 5.957 0.025 1.00 0.00 C ATOM 486 CG LEU A 35 8.891 4.893 -0.784 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.440 3.755 0.118 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.701 5.507 -1.506 1.00 0.00 C ATOM 0 H LEU A 35 11.891 5.129 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 35 10.153 7.519 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.136 5.466 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.899 6.639 0.452 1.00 0.00 H new ATOM 0 HG LEU A 35 9.575 4.488 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.913 3.008 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.310 3.297 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.773 4.143 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.184 4.736 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.016 5.939 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.049 6.287 -2.183 1.00 0.00 H new ATOM 500 N GLN A 36 12.871 7.517 -0.041 1.00 0.00 N ATOM 501 CA GLN A 36 13.840 8.190 0.816 1.00 0.00 C ATOM 502 C GLN A 36 14.017 9.646 0.398 1.00 0.00 C ATOM 503 O GLN A 36 14.641 9.938 -0.622 1.00 0.00 O ATOM 504 CB GLN A 36 15.186 7.466 0.767 1.00 0.00 C ATOM 505 CG GLN A 36 16.324 8.253 1.397 1.00 0.00 C ATOM 506 CD GLN A 36 16.326 8.166 2.911 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.223 7.571 3.509 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.319 8.762 3.539 1.00 0.00 N ATOM 0 H GLN A 36 13.277 7.053 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 36 13.461 8.168 1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.092 6.507 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.436 7.251 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.274 7.880 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.248 9.298 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.597 9.244 3.003 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.267 8.738 4.557 1.00 0.00 H new ATOM 517 N GLY A 37 13.464 10.557 1.193 1.00 0.00 N ATOM 518 CA GLY A 37 13.571 11.972 0.888 1.00 0.00 C ATOM 519 C GLY A 37 12.464 12.453 -0.029 1.00 0.00 C ATOM 520 O GLY A 37 12.341 13.650 -0.287 1.00 0.00 O ATOM 0 H GLY A 37 12.944 10.340 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.544 12.543 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.536 12.168 0.421 1.00 0.00 H new ATOM 524 N GLN A 38 11.659 11.518 -0.523 1.00 0.00 N ATOM 525 CA GLN A 38 10.558 11.854 -1.418 1.00 0.00 C ATOM 526 C GLN A 38 9.460 12.606 -0.673 1.00 0.00 C ATOM 527 O GLN A 38 9.424 12.611 0.558 1.00 0.00 O ATOM 528 CB GLN A 38 9.984 10.586 -2.053 1.00 0.00 C ATOM 529 CG GLN A 38 10.858 10.008 -3.155 1.00 0.00 C ATOM 530 CD GLN A 38 11.263 11.046 -4.183 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.158 11.857 -3.943 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.606 11.025 -5.336 1.00 0.00 N ATOM 0 H GLN A 38 11.748 10.523 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 38 10.947 12.502 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.845 9.832 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.998 10.808 -2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.753 9.572 -2.712 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.322 9.199 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.871 10.335 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.836 11.699 -6.066 1.00 0.00 H new ATOM 541 N ARG A 39 8.567 13.240 -1.426 1.00 0.00 N ATOM 542 CA ARG A 39 7.469 13.996 -0.837 1.00 0.00 C ATOM 543 C ARG A 39 6.612 13.103 0.055 1.00 0.00 C ATOM 544 O ARG A 39 6.459 11.910 -0.206 1.00 0.00 O ATOM 545 CB ARG A 39 6.605 14.620 -1.934 1.00 0.00 C ATOM 546 CG ARG A 39 5.543 13.681 -2.481 1.00 0.00 C ATOM 547 CD ARG A 39 5.034 14.145 -3.837 1.00 0.00 C ATOM 548 NE ARG A 39 4.219 15.352 -3.732 1.00 0.00 N ATOM 549 CZ ARG A 39 3.919 16.129 -4.767 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.365 15.826 -5.978 1.00 0.00 N ATOM 551 NH2 ARG A 39 3.172 17.211 -4.591 1.00 0.00 N ATOM 0 H ARG A 39 8.583 13.245 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 39 7.895 14.791 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.120 15.513 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.249 14.943 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.956 12.676 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.711 13.623 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.881 14.336 -4.496 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.446 13.350 -4.295 1.00 0.00 H new ATOM 0 HE ARG A 39 3.860 15.613 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.940 14.995 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.133 16.424 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.827 17.447 -3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.942 17.807 -5.386 1.00 0.00 H new ATOM 565 N HIS A 40 6.054 13.690 1.110 1.00 0.00 N ATOM 566 CA HIS A 40 5.211 12.948 2.041 1.00 0.00 C ATOM 567 C HIS A 40 3.958 12.428 1.343 1.00 0.00 C ATOM 568 O HIS A 40 3.141 13.205 0.852 1.00 0.00 O ATOM 569 CB HIS A 40 4.820 13.833 3.224 1.00 0.00 C ATOM 570 CG HIS A 40 5.962 14.146 4.141 1.00 0.00 C ATOM 571 ND1 HIS A 40 5.977 15.243 4.977 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.132 13.498 4.352 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.107 15.256 5.661 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.825 14.208 5.301 1.00 0.00 N ATOM 0 H HIS A 40 6.171 14.677 1.341 1.00 0.00 H new ATOM 0 HA HIS A 40 5.781 12.095 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.402 14.766 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.033 13.338 3.793 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.232 15.936 5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.459 12.591 3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.395 15.998 6.391 1.00 0.00 H new ATOM 583 N GLY A 41 3.814 11.106 1.302 1.00 0.00 N ATOM 584 CA GLY A 41 2.659 10.506 0.661 1.00 0.00 C ATOM 585 C GLY A 41 3.015 9.260 -0.125 1.00 0.00 C ATOM 586 O GLY A 41 2.346 8.233 -0.011 1.00 0.00 O ATOM 0 H GLY A 41 4.476 10.441 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.917 10.254 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.199 11.234 -0.007 1.00 0.00 H new ATOM 590 N MET A 42 4.070 9.350 -0.928 1.00 0.00 N ATOM 591 CA MET A 42 4.513 8.220 -1.737 1.00 0.00 C ATOM 592 C MET A 42 4.345 6.908 -0.978 1.00 0.00 C ATOM 593 O MET A 42 4.542 6.852 0.236 1.00 0.00 O ATOM 594 CB MET A 42 5.976 8.402 -2.148 1.00 0.00 C ATOM 595 CG MET A 42 6.317 7.756 -3.480 1.00 0.00 C ATOM 596 SD MET A 42 7.884 8.341 -4.154 1.00 0.00 S ATOM 597 CE MET A 42 7.437 10.000 -4.660 1.00 0.00 C ATOM 0 H MET A 42 4.634 10.193 -1.036 1.00 0.00 H new ATOM 0 HA MET A 42 3.893 8.182 -2.633 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.200 9.467 -2.202 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.618 7.980 -1.374 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.361 6.674 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.519 7.961 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.424 10.057 -5.748 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.448 10.245 -4.272 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.167 10.709 -4.268 1.00 0.00 H new ATOM 607 N PHE A 43 3.979 5.854 -1.700 1.00 0.00 N ATOM 608 CA PHE A 43 3.783 4.543 -1.094 1.00 0.00 C ATOM 609 C PHE A 43 4.062 3.431 -2.100 1.00 0.00 C ATOM 610 O PHE A 43 4.097 3.666 -3.309 1.00 0.00 O ATOM 611 CB PHE A 43 2.355 4.414 -0.557 1.00 0.00 C ATOM 612 CG PHE A 43 1.354 4.020 -1.605 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.167 2.688 -1.938 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.600 4.982 -2.257 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.247 2.324 -2.903 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.322 4.624 -3.223 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.499 3.293 -3.545 1.00 0.00 C ATOM 0 H PHE A 43 3.812 5.883 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 43 4.486 4.445 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.342 3.674 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.053 5.365 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.746 1.926 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.734 6.024 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.112 1.283 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.903 5.384 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.220 3.010 -4.298 1.00 0.00 H new ATOM 627 N LEU A 44 4.261 2.219 -1.594 1.00 0.00 N ATOM 628 CA LEU A 44 4.538 1.069 -2.448 1.00 0.00 C ATOM 629 C LEU A 44 4.346 -0.236 -1.683 1.00 0.00 C ATOM 630 O LEU A 44 4.680 -0.331 -0.501 1.00 0.00 O ATOM 631 CB LEU A 44 5.965 1.147 -2.995 1.00 0.00 C ATOM 632 CG LEU A 44 7.067 0.624 -2.073 1.00 0.00 C ATOM 633 CD1 LEU A 44 7.126 -0.895 -2.121 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.412 1.225 -2.456 1.00 0.00 C ATOM 0 H LEU A 44 4.236 2.007 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 44 3.834 1.088 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.005 0.588 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.184 2.187 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 44 6.835 0.926 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.916 -1.250 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.170 -1.307 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.335 -1.219 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.185 0.842 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.652 0.954 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.363 2.310 -2.369 1.00 0.00 H new ATOM 646 N VAL A 45 3.807 -1.242 -2.364 1.00 0.00 N ATOM 647 CA VAL A 45 3.574 -2.544 -1.750 1.00 0.00 C ATOM 648 C VAL A 45 4.486 -3.607 -2.351 1.00 0.00 C ATOM 649 O VAL A 45 4.378 -3.936 -3.533 1.00 0.00 O ATOM 650 CB VAL A 45 2.108 -2.988 -1.915 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.874 -4.325 -1.230 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.165 -1.926 -1.368 1.00 0.00 C ATOM 0 H VAL A 45 3.523 -1.180 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 45 3.797 -2.437 -0.688 1.00 0.00 H new ATOM 0 HB VAL A 45 1.902 -3.112 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.833 -4.622 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.523 -5.080 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.098 -4.233 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.134 -2.256 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.370 -1.768 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.315 -0.992 -1.910 1.00 0.00 H new ATOM 662 N ARG A 46 5.384 -4.141 -1.530 1.00 0.00 N ATOM 663 CA ARG A 46 6.316 -5.167 -1.981 1.00 0.00 C ATOM 664 C ARG A 46 6.144 -6.451 -1.173 1.00 0.00 C ATOM 665 O ARG A 46 5.490 -6.457 -0.130 1.00 0.00 O ATOM 666 CB ARG A 46 7.757 -4.666 -1.861 1.00 0.00 C ATOM 667 CG ARG A 46 8.144 -4.258 -0.449 1.00 0.00 C ATOM 668 CD ARG A 46 9.339 -3.317 -0.449 1.00 0.00 C ATOM 669 NE ARG A 46 10.150 -3.463 0.756 1.00 0.00 N ATOM 670 CZ ARG A 46 10.766 -4.591 1.096 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.662 -5.664 0.325 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.486 -4.645 2.209 1.00 0.00 N ATOM 0 H ARG A 46 5.486 -3.880 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 46 6.100 -5.384 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.434 -5.449 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.893 -3.814 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.297 -3.772 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.379 -5.147 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.955 -3.513 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.990 -2.288 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 46 10.250 -2.655 1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.109 -5.625 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.135 -6.528 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.567 -3.821 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.958 -5.511 2.469 1.00 0.00 H new ATOM 686 N ASP A 47 6.735 -7.535 -1.663 1.00 0.00 N ATOM 687 CA ASP A 47 6.647 -8.825 -0.988 1.00 0.00 C ATOM 688 C ASP A 47 7.360 -8.781 0.361 1.00 0.00 C ATOM 689 O ASP A 47 8.436 -8.197 0.487 1.00 0.00 O ATOM 690 CB ASP A 47 7.252 -9.925 -1.862 1.00 0.00 C ATOM 691 CG ASP A 47 6.759 -11.306 -1.477 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.528 -11.502 -1.422 1.00 0.00 O ATOM 693 OD2 ASP A 47 7.606 -12.190 -1.230 1.00 0.00 O ATOM 0 H ASP A 47 7.280 -7.546 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 47 5.594 -9.047 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.006 -9.732 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.338 -9.894 -1.780 1.00 0.00 H new ATOM 698 N SER A 48 6.751 -9.401 1.366 1.00 0.00 N ATOM 699 CA SER A 48 7.324 -9.429 2.707 1.00 0.00 C ATOM 700 C SER A 48 8.633 -10.213 2.722 1.00 0.00 C ATOM 701 O SER A 48 9.118 -10.652 1.679 1.00 0.00 O ATOM 702 CB SER A 48 6.334 -10.048 3.695 1.00 0.00 C ATOM 703 OG SER A 48 5.575 -9.048 4.351 1.00 0.00 O ATOM 0 H SER A 48 5.861 -9.891 1.278 1.00 0.00 H new ATOM 0 HA SER A 48 7.532 -8.402 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.666 -10.728 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.875 -10.641 4.433 1.00 0.00 H new ATOM 0 HG SER A 48 5.675 -9.145 5.321 1.00 0.00 H new ATOM 766 N ASP A 54 2.893 -12.545 2.954 1.00 0.00 N ATOM 767 CA ASP A 54 2.895 -11.259 3.640 1.00 0.00 C ATOM 768 C ASP A 54 3.371 -10.147 2.711 1.00 0.00 C ATOM 769 O ASP A 54 4.042 -10.405 1.711 1.00 0.00 O ATOM 770 CB ASP A 54 3.788 -11.320 4.881 1.00 0.00 C ATOM 771 CG ASP A 54 3.187 -12.167 5.985 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.945 -12.174 6.120 1.00 0.00 O ATOM 773 OD2 ASP A 54 3.958 -12.825 6.714 1.00 0.00 O ATOM 0 HA ASP A 54 1.873 -11.038 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.761 -11.725 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.957 -10.310 5.253 1.00 0.00 H new ATOM 778 N TYR A 55 3.018 -8.911 3.046 1.00 0.00 N ATOM 779 CA TYR A 55 3.406 -7.760 2.239 1.00 0.00 C ATOM 780 C TYR A 55 3.890 -6.614 3.122 1.00 0.00 C ATOM 781 O TYR A 55 3.686 -6.621 4.336 1.00 0.00 O ATOM 782 CB TYR A 55 2.230 -7.294 1.379 1.00 0.00 C ATOM 783 CG TYR A 55 1.765 -8.328 0.379 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.678 -9.116 -0.311 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.412 -8.516 0.123 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.257 -10.062 -1.227 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.018 -9.460 -0.790 1.00 0.00 C ATOM 788 CZ TYR A 55 0.909 -10.230 -1.462 1.00 0.00 C ATOM 789 OH TYR A 55 0.485 -11.171 -2.373 1.00 0.00 O ATOM 0 H TYR A 55 2.464 -8.680 3.871 1.00 0.00 H new ATOM 0 HA TYR A 55 4.226 -8.064 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.397 -7.030 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.517 -6.388 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.735 -8.987 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.316 -7.914 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.980 -10.666 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.073 -9.594 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.494 -11.163 -2.420 1.00 0.00 H new ATOM 799 N VAL A 56 4.533 -5.629 2.503 1.00 0.00 N ATOM 800 CA VAL A 56 5.046 -4.474 3.230 1.00 0.00 C ATOM 801 C VAL A 56 4.801 -3.184 2.456 1.00 0.00 C ATOM 802 O VAL A 56 5.394 -2.960 1.399 1.00 0.00 O ATOM 803 CB VAL A 56 6.553 -4.613 3.513 1.00 0.00 C ATOM 804 CG1 VAL A 56 7.101 -3.335 4.129 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.818 -5.807 4.418 1.00 0.00 C ATOM 0 H VAL A 56 4.711 -5.608 1.499 1.00 0.00 H new ATOM 0 HA VAL A 56 4.509 -4.432 4.178 1.00 0.00 H new ATOM 0 HB VAL A 56 7.068 -4.782 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.167 -3.452 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.946 -2.504 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.583 -3.132 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.888 -5.890 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.292 -5.671 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.464 -6.717 3.933 1.00 0.00 H new ATOM 815 N LEU A 57 3.926 -2.338 2.987 1.00 0.00 N ATOM 816 CA LEU A 57 3.603 -1.068 2.346 1.00 0.00 C ATOM 817 C LEU A 57 4.540 0.037 2.824 1.00 0.00 C ATOM 818 O LEU A 57 4.362 0.589 3.909 1.00 0.00 O ATOM 819 CB LEU A 57 2.151 -0.683 2.637 1.00 0.00 C ATOM 820 CG LEU A 57 1.796 0.791 2.438 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.463 1.069 0.981 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.633 1.185 3.337 1.00 0.00 C ATOM 0 H LEU A 57 3.427 -2.508 3.860 1.00 0.00 H new ATOM 0 HA LEU A 57 3.732 -1.188 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.502 -1.282 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.923 -0.955 3.668 1.00 0.00 H new ATOM 0 HG LEU A 57 2.662 1.393 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.213 2.123 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.324 0.826 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.613 0.457 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.394 2.237 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.237 0.575 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.908 1.025 4.379 1.00 0.00 H new ATOM 834 N SER A 58 5.536 0.356 2.004 1.00 0.00 N ATOM 835 CA SER A 58 6.502 1.394 2.343 1.00 0.00 C ATOM 836 C SER A 58 6.044 2.753 1.822 1.00 0.00 C ATOM 837 O SER A 58 5.754 2.911 0.636 1.00 0.00 O ATOM 838 CB SER A 58 7.876 1.050 1.765 1.00 0.00 C ATOM 839 OG SER A 58 8.326 -0.210 2.233 1.00 0.00 O ATOM 0 H SER A 58 5.695 -0.089 1.100 1.00 0.00 H new ATOM 0 HA SER A 58 6.576 1.447 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.824 1.039 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.594 1.822 2.042 1.00 0.00 H new ATOM 0 HG SER A 58 8.460 -0.170 3.203 1.00 0.00 H new ATOM 845 N VAL A 59 5.982 3.733 2.719 1.00 0.00 N ATOM 846 CA VAL A 59 5.561 5.079 2.351 1.00 0.00 C ATOM 847 C VAL A 59 6.498 6.128 2.940 1.00 0.00 C ATOM 848 O VAL A 59 7.196 5.871 3.921 1.00 0.00 O ATOM 849 CB VAL A 59 4.124 5.367 2.826 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.251 4.133 2.662 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.126 5.842 4.271 1.00 0.00 C ATOM 0 H VAL A 59 6.218 3.619 3.705 1.00 0.00 H new ATOM 0 HA VAL A 59 5.595 5.135 1.263 1.00 0.00 H new ATOM 0 HB VAL A 59 3.707 6.162 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.240 4.355 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.225 3.843 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.662 3.315 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.103 6.041 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.561 5.071 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.716 6.755 4.353 1.00 0.00 H new ATOM 861 N SER A 60 6.509 7.311 2.334 1.00 0.00 N ATOM 862 CA SER A 60 7.363 8.399 2.795 1.00 0.00 C ATOM 863 C SER A 60 6.631 9.271 3.810 1.00 0.00 C ATOM 864 O SER A 60 5.805 10.107 3.445 1.00 0.00 O ATOM 865 CB SER A 60 7.824 9.251 1.611 1.00 0.00 C ATOM 866 OG SER A 60 8.914 10.080 1.974 1.00 0.00 O ATOM 0 H SER A 60 5.936 7.540 1.522 1.00 0.00 H new ATOM 0 HA SER A 60 8.236 7.962 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.115 8.603 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.997 9.866 1.258 1.00 0.00 H new ATOM 0 HG SER A 60 8.928 10.873 1.398 1.00 0.00 H new ATOM 872 N GLU A 61 6.940 9.069 5.087 1.00 0.00 N ATOM 873 CA GLU A 61 6.311 9.836 6.156 1.00 0.00 C ATOM 874 C GLU A 61 7.305 10.124 7.277 1.00 0.00 C ATOM 875 O GLU A 61 8.164 9.299 7.585 1.00 0.00 O ATOM 876 CB GLU A 61 5.102 9.082 6.712 1.00 0.00 C ATOM 877 CG GLU A 61 4.364 9.836 7.805 1.00 0.00 C ATOM 878 CD GLU A 61 3.566 8.918 8.711 1.00 0.00 C ATOM 879 OE1 GLU A 61 2.395 8.634 8.386 1.00 0.00 O ATOM 880 OE2 GLU A 61 4.115 8.483 9.746 1.00 0.00 O ATOM 0 H GLU A 61 7.622 8.381 5.406 1.00 0.00 H new ATOM 0 HA GLU A 61 5.977 10.786 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.410 8.871 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.433 8.121 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.083 10.396 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.693 10.564 7.349 1.00 0.00 H new ATOM 887 N ASN A 62 7.181 11.300 7.884 1.00 0.00 N ATOM 888 CA ASN A 62 8.068 11.698 8.970 1.00 0.00 C ATOM 889 C ASN A 62 9.525 11.678 8.517 1.00 0.00 C ATOM 890 O ASN A 62 10.375 11.052 9.152 1.00 0.00 O ATOM 891 CB ASN A 62 7.884 10.770 10.173 1.00 0.00 C ATOM 892 CG ASN A 62 6.687 11.153 11.021 1.00 0.00 C ATOM 893 OD1 ASN A 62 6.379 12.335 11.182 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.005 10.154 11.569 1.00 0.00 N ATOM 0 H ASN A 62 6.474 11.994 7.642 1.00 0.00 H new ATOM 0 HA ASN A 62 7.810 12.716 9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.764 9.745 9.823 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.784 10.794 10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.190 10.351 12.150 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.296 9.190 11.409 1.00 0.00 H new ATOM 901 N SER A 63 9.806 12.368 7.416 1.00 0.00 N ATOM 902 CA SER A 63 11.159 12.427 6.876 1.00 0.00 C ATOM 903 C SER A 63 11.798 11.042 6.858 1.00 0.00 C ATOM 904 O SER A 63 13.014 10.906 6.995 1.00 0.00 O ATOM 905 CB SER A 63 12.019 13.387 7.702 1.00 0.00 C ATOM 906 OG SER A 63 11.810 14.731 7.302 1.00 0.00 O ATOM 0 H SER A 63 9.115 12.894 6.881 1.00 0.00 H new ATOM 0 HA SER A 63 11.099 12.794 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.779 13.277 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.072 13.129 7.586 1.00 0.00 H new ATOM 0 HG SER A 63 12.369 15.325 7.845 1.00 0.00 H new ATOM 912 N ARG A 64 10.970 10.017 6.688 1.00 0.00 N ATOM 913 CA ARG A 64 11.452 8.642 6.654 1.00 0.00 C ATOM 914 C ARG A 64 10.483 7.745 5.890 1.00 0.00 C ATOM 915 O ARG A 64 9.422 8.190 5.452 1.00 0.00 O ATOM 916 CB ARG A 64 11.645 8.110 8.075 1.00 0.00 C ATOM 917 CG ARG A 64 10.340 7.875 8.819 1.00 0.00 C ATOM 918 CD ARG A 64 10.538 6.954 10.013 1.00 0.00 C ATOM 919 NE ARG A 64 9.589 7.238 11.086 1.00 0.00 N ATOM 920 CZ ARG A 64 9.671 8.302 11.877 1.00 0.00 C ATOM 921 NH1 ARG A 64 10.653 9.178 11.716 1.00 0.00 N ATOM 922 NH2 ARG A 64 8.769 8.492 12.832 1.00 0.00 N ATOM 0 H ARG A 64 9.961 10.113 6.572 1.00 0.00 H new ATOM 0 HA ARG A 64 12.412 8.633 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.202 7.174 8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.253 8.817 8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.936 8.829 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.606 7.440 8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.425 5.918 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.555 7.063 10.390 1.00 0.00 H new ATOM 0 HE ARG A 64 8.821 6.584 11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.348 9.036 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.713 9.994 12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.012 7.821 12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.833 9.309 13.439 1.00 0.00 H new ATOM 936 N VAL A 65 10.855 6.478 5.734 1.00 0.00 N ATOM 937 CA VAL A 65 10.018 5.518 5.024 1.00 0.00 C ATOM 938 C VAL A 65 9.217 4.661 5.998 1.00 0.00 C ATOM 939 O VAL A 65 9.720 3.669 6.526 1.00 0.00 O ATOM 940 CB VAL A 65 10.862 4.597 4.122 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.964 3.686 3.299 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.769 5.422 3.220 1.00 0.00 C ATOM 0 H VAL A 65 11.730 6.093 6.090 1.00 0.00 H new ATOM 0 HA VAL A 65 9.332 6.094 4.403 1.00 0.00 H new ATOM 0 HB VAL A 65 11.490 3.971 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.578 3.043 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.361 3.070 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.309 4.291 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.358 4.756 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.162 6.074 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.437 6.028 3.832 1.00 0.00 H new ATOM 952 N SER A 66 7.968 5.051 6.230 1.00 0.00 N ATOM 953 CA SER A 66 7.097 4.320 7.144 1.00 0.00 C ATOM 954 C SER A 66 6.703 2.969 6.555 1.00 0.00 C ATOM 955 O SER A 66 5.782 2.877 5.743 1.00 0.00 O ATOM 956 CB SER A 66 5.842 5.140 7.451 1.00 0.00 C ATOM 957 OG SER A 66 6.029 5.945 8.602 1.00 0.00 O ATOM 0 H SER A 66 7.536 5.868 5.798 1.00 0.00 H new ATOM 0 HA SER A 66 7.646 4.147 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.598 5.772 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.995 4.471 7.605 1.00 0.00 H new ATOM 0 HG SER A 66 5.214 6.461 8.777 1.00 0.00 H new ATOM 963 N HIS A 67 7.409 1.921 6.970 1.00 0.00 N ATOM 964 CA HIS A 67 7.134 0.574 6.485 1.00 0.00 C ATOM 965 C HIS A 67 5.947 -0.038 7.223 1.00 0.00 C ATOM 966 O HIS A 67 6.069 -0.458 8.374 1.00 0.00 O ATOM 967 CB HIS A 67 8.367 -0.314 6.655 1.00 0.00 C ATOM 968 CG HIS A 67 9.510 0.072 5.767 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.752 -0.527 4.549 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.479 1.004 5.925 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.821 0.018 3.997 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.281 0.950 4.812 1.00 0.00 N ATOM 0 H HIS A 67 8.175 1.980 7.641 1.00 0.00 H new ATOM 0 HA HIS A 67 6.886 0.640 5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.694 -0.272 7.694 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.091 -1.348 6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.599 1.667 6.769 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.246 -0.252 3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.099 1.535 4.642 1.00 0.00 H new ATOM 981 N TYR A 68 4.801 -0.083 6.554 1.00 0.00 N ATOM 982 CA TYR A 68 3.591 -0.640 7.147 1.00 0.00 C ATOM 983 C TYR A 68 3.346 -2.062 6.653 1.00 0.00 C ATOM 984 O TYR A 68 2.795 -2.269 5.571 1.00 0.00 O ATOM 985 CB TYR A 68 2.384 0.241 6.819 1.00 0.00 C ATOM 986 CG TYR A 68 2.456 1.621 7.433 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.625 1.785 8.802 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.358 2.760 6.644 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.690 3.043 9.368 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.424 4.023 7.201 1.00 0.00 C ATOM 991 CZ TYR A 68 2.590 4.159 8.563 1.00 0.00 C ATOM 992 OH TYR A 68 2.656 5.415 9.122 1.00 0.00 O ATOM 0 H TYR A 68 4.684 0.260 5.600 1.00 0.00 H new ATOM 0 HA TYR A 68 3.728 -0.669 8.228 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.299 0.338 5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.478 -0.255 7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.707 0.914 9.435 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.228 2.657 5.577 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.818 3.153 10.435 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.346 4.898 6.573 1.00 0.00 H new ATOM 0 HH TYR A 68 2.570 6.091 8.418 1.00 0.00 H new ATOM 1002 N ILE A 69 3.759 -3.039 7.453 1.00 0.00 N ATOM 1003 CA ILE A 69 3.583 -4.442 7.098 1.00 0.00 C ATOM 1004 C ILE A 69 2.105 -4.811 7.031 1.00 0.00 C ATOM 1005 O ILE A 69 1.321 -4.434 7.902 1.00 0.00 O ATOM 1006 CB ILE A 69 4.287 -5.370 8.106 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.806 -5.220 7.995 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.874 -6.815 7.874 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.562 -5.879 9.127 1.00 0.00 C ATOM 0 H ILE A 69 4.218 -2.885 8.351 1.00 0.00 H new ATOM 0 HA ILE A 69 4.034 -4.578 6.115 1.00 0.00 H new ATOM 0 HB ILE A 69 3.985 -5.084 9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.137 -5.649 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.057 -4.160 7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.380 -7.458 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.795 -6.910 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.150 -7.115 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.633 -5.733 8.983 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.259 -5.434 10.075 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.340 -6.946 9.140 1.00 0.00 H new ATOM 1021 N ILE A 70 1.733 -5.553 5.993 1.00 0.00 N ATOM 1022 CA ILE A 70 0.350 -5.976 5.815 1.00 0.00 C ATOM 1023 C ILE A 70 0.165 -7.436 6.214 1.00 0.00 C ATOM 1024 O ILE A 70 0.698 -8.338 5.570 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.111 -5.792 4.356 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.051 -4.316 3.962 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.520 -6.338 4.174 1.00 0.00 C ATOM 1028 CD1 ILE A 70 1.280 -3.901 3.374 1.00 0.00 C ATOM 0 H ILE A 70 2.370 -5.873 5.263 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.259 -5.345 6.463 1.00 0.00 H new ATOM 0 HB ILE A 70 0.561 -6.350 3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.839 -4.109 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.257 -3.705 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.832 -6.201 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.533 -7.400 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.205 -5.804 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.250 -2.842 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.071 -4.076 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.479 -4.486 2.476 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.595 -7.660 7.281 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.851 -9.011 7.767 1.00 0.00 C ATOM 1042 C ASN A 71 -1.851 -9.732 6.867 1.00 0.00 C ATOM 1043 O ASN A 71 -2.903 -9.188 6.531 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.378 -8.969 9.202 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.371 -8.378 10.171 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.709 -7.524 10.991 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.874 -8.831 10.078 1.00 0.00 N ATOM 0 H ASN A 71 -1.044 -6.924 7.825 1.00 0.00 H new ATOM 0 HA ASN A 71 0.090 -9.561 7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.295 -8.381 9.232 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.636 -9.979 9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.596 -8.470 10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.108 -9.540 9.383 1.00 0.00 H new ATOM 1054 N SER A 72 -1.515 -10.959 6.482 1.00 0.00 N ATOM 1055 CA SER A 72 -2.381 -11.753 5.619 1.00 0.00 C ATOM 1056 C SER A 72 -3.337 -12.608 6.447 1.00 0.00 C ATOM 1057 O SER A 72 -2.934 -13.606 7.047 1.00 0.00 O ATOM 1058 CB SER A 72 -1.543 -12.647 4.703 1.00 0.00 C ATOM 1059 OG SER A 72 -2.350 -13.264 3.715 1.00 0.00 O ATOM 0 H SER A 72 -0.649 -11.425 6.754 1.00 0.00 H new ATOM 0 HA SER A 72 -2.969 -11.069 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.765 -12.053 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.041 -13.411 5.296 1.00 0.00 H new ATOM 0 HG SER A 72 -1.791 -13.829 3.141 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.603 -12.210 6.475 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.618 -12.938 7.229 1.00 0.00 C ATOM 1067 C LEU A 73 -6.151 -14.119 6.424 1.00 0.00 C ATOM 1068 O LEU A 73 -6.173 -14.104 5.193 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.768 -12.004 7.608 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.367 -10.639 8.170 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.585 -9.739 8.305 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -5.669 -10.800 9.513 1.00 0.00 C ATOM 0 H LEU A 73 -4.952 -11.387 5.984 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.155 -13.321 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.386 -11.844 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.392 -12.509 8.345 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.670 -10.171 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.280 -8.772 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.043 -9.598 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.306 -10.201 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.391 -9.819 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.343 -11.289 10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.773 -11.408 9.387 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.594 -15.167 7.134 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.139 -16.375 6.506 1.00 0.00 C ATOM 1086 C PRO A 74 -8.490 -16.126 5.845 1.00 0.00 C ATOM 1087 O PRO A 74 -8.887 -16.847 4.931 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.288 -17.348 7.679 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.431 -16.476 8.878 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.599 -15.254 8.604 1.00 0.00 C ATOM 0 HA PRO A 74 -6.496 -16.744 5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.158 -17.992 7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.419 -18.000 7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.475 -16.208 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.087 -16.989 9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.032 -14.363 9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.590 -15.357 9.004 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.194 -15.100 6.315 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.502 -14.757 5.769 1.00 0.00 C ATOM 1100 C ASN A 75 -10.359 -13.997 4.454 1.00 0.00 C ATOM 1101 O ASN A 75 -10.974 -12.947 4.262 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.292 -13.916 6.774 1.00 0.00 C ATOM 1103 CG ASN A 75 -12.704 -13.627 6.302 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -13.350 -14.475 5.687 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -13.190 -12.425 6.589 1.00 0.00 N ATOM 0 H ASN A 75 -8.880 -14.493 7.072 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.043 -15.683 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.331 -14.439 7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.770 -12.975 6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.135 -12.174 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.619 -11.753 7.101 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.546 -14.535 3.551 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.322 -13.907 2.254 1.00 0.00 C ATOM 1114 C ARG A 76 -9.319 -12.387 2.379 1.00 0.00 C ATOM 1115 O ARG A 76 -9.900 -11.685 1.551 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.399 -14.346 1.259 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.292 -15.806 0.851 1.00 0.00 C ATOM 1118 CD ARG A 76 -9.158 -16.027 -0.138 1.00 0.00 C ATOM 1119 NE ARG A 76 -9.428 -15.400 -1.429 1.00 0.00 N ATOM 1120 CZ ARG A 76 -9.063 -14.160 -1.734 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -8.416 -13.418 -0.845 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -9.345 -13.659 -2.930 1.00 0.00 N ATOM 0 H ARG A 76 -9.031 -15.404 3.693 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.346 -14.226 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.381 -14.171 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.334 -13.723 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.129 -16.421 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.233 -16.130 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.233 -15.624 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.004 -17.097 -0.280 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.924 -15.944 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.198 -13.799 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.137 -12.466 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.843 -14.226 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.064 -12.707 -3.163 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.662 -11.885 3.419 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.585 -10.448 3.653 1.00 0.00 C ATOM 1138 C ARG A 77 -7.227 -10.064 4.234 1.00 0.00 C ATOM 1139 O ARG A 77 -6.499 -10.911 4.751 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.701 -10.003 4.600 1.00 0.00 C ATOM 1141 CG ARG A 77 -11.058 -9.879 3.926 1.00 0.00 C ATOM 1142 CD ARG A 77 -12.193 -10.004 4.931 1.00 0.00 C ATOM 1143 NE ARG A 77 -12.548 -8.716 5.519 1.00 0.00 N ATOM 1144 CZ ARG A 77 -11.930 -8.193 6.572 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -10.930 -8.845 7.149 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -12.311 -7.015 7.049 1.00 0.00 N ATOM 0 H ARG A 77 -8.175 -12.452 4.113 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.708 -9.942 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.776 -10.717 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.433 -9.041 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.126 -8.918 3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.159 -10.652 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -13.067 -10.431 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.902 -10.696 5.722 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.313 -8.189 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.634 -9.750 6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.457 -8.441 7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.079 -6.510 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.836 -6.614 7.858 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.893 -8.780 4.146 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.623 -8.284 4.661 1.00 0.00 C ATOM 1162 C PHE A 78 -5.839 -7.414 5.896 1.00 0.00 C ATOM 1163 O PHE A 78 -6.941 -6.918 6.135 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.888 -7.485 3.582 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.481 -8.312 2.397 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.432 -8.788 1.508 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.148 -8.613 2.170 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.061 -9.549 0.416 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.771 -9.373 1.079 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.729 -9.843 0.202 1.00 0.00 C ATOM 0 H PHE A 78 -7.485 -8.065 3.723 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.015 -9.143 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.529 -6.671 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.000 -7.030 4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.475 -8.561 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.395 -8.250 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.812 -9.913 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.728 -9.599 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.437 -10.439 -0.650 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.780 -7.232 6.677 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.852 -6.422 7.887 1.00 0.00 C ATOM 1182 C LYS A 79 -3.577 -5.605 8.071 1.00 0.00 C ATOM 1183 O LYS A 79 -2.531 -6.144 8.435 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.080 -7.314 9.110 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.138 -6.547 10.420 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.933 -7.465 11.613 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.945 -6.689 12.921 1.00 0.00 C ATOM 1188 NZ LYS A 79 -4.782 -7.586 14.099 1.00 0.00 N ATOM 0 H LYS A 79 -3.861 -7.635 6.494 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.692 -5.735 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.012 -7.864 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.279 -8.052 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.373 -5.770 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.102 -6.046 10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.717 -8.222 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.984 -7.992 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.143 -5.951 12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.883 -6.140 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.795 -7.020 14.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.561 -8.275 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.876 -8.091 14.028 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.672 -4.304 7.819 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.526 -3.414 7.960 1.00 0.00 C ATOM 1204 C ILE A 80 -2.536 -2.716 9.315 1.00 0.00 C ATOM 1205 O ILE A 80 -3.282 -1.761 9.528 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.500 -2.350 6.847 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.311 -1.407 7.040 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.805 -1.568 6.831 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.043 -0.519 5.845 1.00 0.00 C ATOM 0 H ILE A 80 -4.530 -3.843 7.516 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.633 -4.034 7.880 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.388 -2.853 5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.492 -0.781 7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.420 -1.998 7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.771 -0.820 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.636 -2.250 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.944 -1.073 7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.187 0.122 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.830 -1.137 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.919 0.098 5.647 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.700 -3.198 10.230 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.627 -2.608 11.553 1.00 0.00 C ATOM 1223 C GLY A 81 -2.771 -3.043 12.447 1.00 0.00 C ATOM 1224 O GLY A 81 -2.818 -4.190 12.892 1.00 0.00 O ATOM 0 H GLY A 81 -1.072 -3.987 10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.681 -2.884 12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.633 -1.522 11.464 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.695 -2.126 12.711 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.845 -2.421 13.559 1.00 0.00 C ATOM 1230 C ASP A 82 -6.147 -2.268 12.779 1.00 0.00 C ATOM 1231 O ASP A 82 -7.214 -2.085 13.366 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.855 -1.500 14.779 1.00 0.00 C ATOM 1233 CG ASP A 82 -4.003 -2.033 15.915 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -4.528 -2.819 16.731 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -2.812 -1.663 15.987 1.00 0.00 O ATOM 0 H ASP A 82 -3.671 -1.172 12.350 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.763 -3.455 13.895 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.493 -0.514 14.489 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.880 -1.373 15.126 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.051 -2.344 11.456 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.222 -2.212 10.597 1.00 0.00 C ATOM 1242 C GLN A 83 -7.296 -3.362 9.598 1.00 0.00 C ATOM 1243 O GLN A 83 -6.312 -4.065 9.372 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.188 -0.876 9.853 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.263 0.333 10.771 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.620 0.484 11.429 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.656 0.370 10.774 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.622 0.741 12.732 1.00 0.00 N ATOM 0 H GLN A 83 -5.175 -2.496 10.956 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.110 -2.245 11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.271 -0.820 9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.020 -0.840 9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.497 0.247 11.542 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.039 1.233 10.199 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.740 0.827 13.236 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.506 0.852 13.229 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.470 -3.548 9.003 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.672 -4.614 8.028 1.00 0.00 C ATOM 1259 C GLU A 84 -9.491 -4.117 6.840 1.00 0.00 C ATOM 1260 O GLU A 84 -10.320 -3.217 6.976 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.373 -5.806 8.682 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.629 -6.367 9.882 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.546 -7.088 10.852 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.717 -6.676 10.980 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.090 -8.066 11.481 1.00 0.00 O ATOM 0 H GLU A 84 -9.295 -2.975 9.179 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.694 -4.931 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.372 -5.502 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.497 -6.595 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.857 -7.055 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.122 -5.555 10.403 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.251 -4.710 5.675 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.964 -4.327 4.462 1.00 0.00 C ATOM 1274 C PHE A 85 -10.361 -5.559 3.653 1.00 0.00 C ATOM 1275 O PHE A 85 -10.103 -6.692 4.060 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.098 -3.400 3.607 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.809 -2.079 4.260 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.665 -1.003 4.087 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.682 -1.913 5.049 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.400 0.214 4.687 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.412 -0.698 5.651 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.273 0.366 5.471 1.00 0.00 C ATOM 0 H PHE A 85 -8.569 -5.457 5.545 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.871 -3.798 4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.155 -3.900 3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.599 -3.224 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.549 -1.116 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.006 -2.743 5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.074 1.046 4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.529 -0.581 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.066 1.315 5.942 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.991 -5.328 2.507 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.424 -6.418 1.640 1.00 0.00 C ATOM 1294 C ASP A 86 -10.245 -6.997 0.864 1.00 0.00 C ATOM 1295 O ASP A 86 -10.233 -8.180 0.523 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.500 -5.929 0.668 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.347 -7.062 0.124 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -12.803 -8.169 -0.073 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.555 -6.842 -0.104 1.00 0.00 O ATOM 0 H ASP A 86 -11.213 -4.396 2.157 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.843 -7.204 2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.143 -5.209 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.025 -5.404 -0.161 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.256 -6.154 0.585 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.072 -6.581 -0.151 1.00 0.00 C ATOM 1306 C HIS A 87 -7.053 -5.450 -0.246 1.00 0.00 C ATOM 1307 O HIS A 87 -7.239 -4.382 0.338 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.460 -7.053 -1.553 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.602 -6.287 -2.148 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.471 -5.009 -2.648 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.900 -6.626 -2.322 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.640 -4.595 -3.103 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.524 -5.558 -2.917 1.00 0.00 N ATOM 0 H HIS A 87 -9.251 -5.171 0.858 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.618 -7.410 0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.594 -6.966 -2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.724 -8.110 -1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.360 -7.563 -2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.839 -3.633 -3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.510 -5.515 -3.174 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.975 -5.691 -0.985 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.926 -4.692 -1.156 1.00 0.00 C ATOM 1324 C LEU A 88 -5.496 -3.395 -1.720 1.00 0.00 C ATOM 1325 O LEU A 88 -5.409 -2.331 -1.105 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.832 -5.227 -2.082 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.629 -5.874 -1.396 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.709 -6.516 -2.423 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.871 -4.847 -0.567 1.00 0.00 C ATOM 0 H LEU A 88 -5.805 -6.569 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.495 -4.482 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.279 -5.960 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.473 -4.404 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.993 -6.654 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.859 -6.971 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.256 -7.282 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.352 -5.756 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.018 -5.326 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.519 -4.044 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.533 -4.434 0.195 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.095 -3.482 -2.917 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.693 -2.324 -3.588 1.00 0.00 C ATOM 1343 C PRO A 89 -7.953 -1.833 -2.884 1.00 0.00 C ATOM 1344 O PRO A 89 -8.672 -0.978 -3.401 1.00 0.00 O ATOM 1345 CB PRO A 89 -7.034 -2.859 -4.981 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.198 -4.328 -4.793 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.235 -4.717 -3.706 1.00 0.00 C ATOM 0 HA PRO A 89 -6.020 -1.466 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.947 -2.405 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.241 -2.637 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.222 -4.573 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.982 -4.866 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.621 -5.538 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.279 -5.044 -4.114 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.215 -2.378 -1.700 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.387 -1.993 -0.924 1.00 0.00 C ATOM 1357 C ALA A 90 -8.990 -1.181 0.304 1.00 0.00 C ATOM 1358 O ALA A 90 -9.812 -0.470 0.883 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.175 -3.227 -0.511 1.00 0.00 C ATOM 0 H ALA A 90 -7.631 -3.088 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.019 -1.366 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.048 -2.925 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.499 -3.766 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.544 -3.875 0.096 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.725 -1.291 0.696 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.219 -0.566 1.857 1.00 0.00 C ATOM 1367 C LEU A 91 -6.570 0.749 1.437 1.00 0.00 C ATOM 1368 O LEU A 91 -6.738 1.775 2.097 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.209 -1.426 2.618 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.840 -1.597 1.958 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.892 -0.493 2.400 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.257 -2.965 2.284 1.00 0.00 C ATOM 0 H LEU A 91 -7.032 -1.874 0.228 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.062 -0.341 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.062 -0.989 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.644 -2.414 2.768 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.968 -1.527 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.923 -0.632 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.303 0.475 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.769 -0.530 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.283 -3.069 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.144 -3.064 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.926 -3.743 1.916 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.830 0.712 0.334 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.157 1.902 -0.176 1.00 0.00 C ATOM 1386 C LEU A 92 -6.170 2.961 -0.598 1.00 0.00 C ATOM 1387 O LEU A 92 -5.968 4.153 -0.368 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.260 1.536 -1.360 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.327 0.343 -1.152 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -3.048 -0.353 -2.475 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.028 0.789 -0.497 1.00 0.00 C ATOM 0 H LEU A 92 -5.681 -0.129 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.542 2.313 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.896 1.329 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.654 2.406 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.819 -0.367 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.382 -1.200 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.985 -0.708 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.576 0.349 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.376 -0.073 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.531 1.519 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.245 1.241 0.471 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.261 2.517 -1.216 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.305 3.427 -1.669 1.00 0.00 C ATOM 1405 C GLU A 93 -8.983 4.110 -0.485 1.00 0.00 C ATOM 1406 O GLU A 93 -9.535 5.203 -0.616 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.345 2.673 -2.500 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.018 1.537 -1.748 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.366 1.166 -2.335 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.195 2.078 -2.538 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.592 -0.035 -2.591 1.00 0.00 O ATOM 0 H GLU A 93 -7.444 1.533 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.839 4.192 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.107 3.376 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.864 2.272 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.367 0.662 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.147 1.823 -0.704 1.00 0.00 H new ATOM 1418 N PHE A 94 -8.938 3.458 0.672 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.548 4.000 1.880 1.00 0.00 C ATOM 1420 C PHE A 94 -8.598 4.965 2.584 1.00 0.00 C ATOM 1421 O PHE A 94 -9.030 5.848 3.326 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.940 2.868 2.832 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.907 3.290 3.901 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.250 3.468 3.608 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.474 3.509 5.198 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.141 3.858 4.589 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.361 3.898 6.184 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.697 4.072 5.879 1.00 0.00 C ATOM 0 H PHE A 94 -8.485 2.553 0.798 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.444 4.548 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.381 2.055 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.040 2.473 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.604 3.300 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.431 3.374 5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.185 3.996 4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.010 4.066 7.192 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.393 4.375 6.648 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.304 4.790 2.345 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.291 5.642 2.957 1.00 0.00 C ATOM 1440 C TYR A 95 -6.100 6.925 2.153 1.00 0.00 C ATOM 1441 O TYR A 95 -5.586 7.921 2.663 1.00 0.00 O ATOM 1442 CB TYR A 95 -4.962 4.893 3.068 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.863 4.014 4.294 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -4.978 4.552 5.570 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.652 2.646 4.176 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.887 3.752 6.693 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.561 1.838 5.294 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.679 2.396 6.549 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.588 1.596 7.665 1.00 0.00 O ATOM 0 H TYR A 95 -6.931 4.066 1.732 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.634 5.909 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.826 4.278 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.147 5.617 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.141 5.613 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.557 2.206 3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.978 4.186 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.398 0.776 5.185 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.186 0.826 7.565 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.519 6.892 0.893 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.397 8.051 0.016 1.00 0.00 C ATOM 1461 C LYS A 96 -7.017 9.287 0.658 1.00 0.00 C ATOM 1462 O LYS A 96 -6.721 10.417 0.266 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.070 7.771 -1.330 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.262 6.857 -2.235 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.129 6.237 -3.319 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.170 7.108 -4.565 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.069 8.283 -4.392 1.00 0.00 N ATOM 0 H LYS A 96 -6.946 6.075 0.456 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.336 8.241 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.047 7.321 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.243 8.717 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.452 7.423 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.802 6.068 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.743 5.251 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.141 6.094 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.163 7.453 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.509 6.513 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.367 8.633 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.907 8.001 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.562 9.037 -3.886 1.00 0.00 H new ATOM 1481 N ILE A 97 -7.876 9.067 1.647 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.535 10.164 2.346 1.00 0.00 C ATOM 1483 C ILE A 97 -8.128 10.204 3.815 1.00 0.00 C ATOM 1484 O ILE A 97 -8.005 11.276 4.407 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.068 10.051 2.252 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.559 8.823 3.021 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.506 9.980 0.796 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.066 8.720 3.097 1.00 0.00 C ATOM 0 H ILE A 97 -8.132 8.139 1.983 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.216 11.085 1.859 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.511 10.940 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.165 7.925 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.153 8.852 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.592 9.900 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.184 10.882 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.056 9.107 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.342 7.826 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.466 9.600 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.478 8.659 2.090 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.919 9.027 4.397 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.524 8.927 5.798 1.00 0.00 C ATOM 1502 C HIS A 98 -6.011 9.061 5.946 1.00 0.00 C ATOM 1503 O HIS A 98 -5.252 8.629 5.078 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.990 7.596 6.388 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.467 7.532 6.627 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.126 6.366 6.956 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.413 8.499 6.586 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.414 6.618 7.104 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.615 7.905 6.886 1.00 0.00 N ATOM 0 H HIS A 98 -8.016 8.130 3.921 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.999 9.743 6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.704 6.789 5.714 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.470 7.424 7.330 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.687 5.452 7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.253 9.543 6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.174 5.894 7.360 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.580 9.662 7.049 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.158 9.855 7.309 1.00 0.00 C ATOM 1520 C TYR A 99 -3.613 8.749 8.207 1.00 0.00 C ATOM 1521 O TYR A 99 -3.991 8.637 9.374 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.918 11.219 7.958 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.391 12.382 7.116 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.737 12.540 6.809 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.493 13.323 6.627 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.175 13.601 6.039 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.922 14.387 5.858 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.263 14.522 5.567 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.694 15.580 4.800 1.00 0.00 O ATOM 0 H TYR A 99 -6.195 10.024 7.778 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.632 9.816 6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.427 11.248 8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.853 11.335 8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.453 11.821 7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.442 13.221 6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.225 13.708 5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.211 15.110 5.486 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.927 16.136 4.549 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.723 7.932 7.654 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.123 6.834 8.404 1.00 0.00 C ATOM 1541 C LEU A 100 -1.608 7.315 9.756 1.00 0.00 C ATOM 1542 O LEU A 100 -2.128 6.928 10.803 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.980 6.208 7.603 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.342 5.686 6.212 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.130 5.727 5.294 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.899 4.272 6.301 1.00 0.00 C ATOM 0 H LEU A 100 -2.401 8.009 6.689 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.892 6.081 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.189 6.950 7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.566 5.383 8.183 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.112 6.333 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.407 5.352 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.224 6.754 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.662 5.105 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.151 3.917 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.151 3.613 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.794 4.272 6.923 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.585 8.162 9.727 1.00 0.00 N ATOM 1559 CA ASP A 101 -0.001 8.699 10.950 1.00 0.00 C ATOM 1560 C ASP A 101 -0.022 10.224 10.938 1.00 0.00 C ATOM 1561 O ASP A 101 -0.675 10.854 11.771 1.00 0.00 O ATOM 1562 CB ASP A 101 1.435 8.198 11.118 1.00 0.00 C ATOM 1563 CG ASP A 101 1.839 8.078 12.574 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.378 7.128 13.241 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.616 8.934 13.047 1.00 0.00 O ATOM 0 H ASP A 101 -0.143 8.492 8.869 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.600 8.352 11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.537 7.226 10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.117 8.880 10.610 1.00 0.00 H new ATOM 1570 N THR A 102 0.698 10.814 9.989 1.00 0.00 N ATOM 1571 CA THR A 102 0.764 12.265 9.870 1.00 0.00 C ATOM 1572 C THR A 102 0.423 12.716 8.455 1.00 0.00 C ATOM 1573 O THR A 102 0.263 13.909 8.194 1.00 0.00 O ATOM 1574 CB THR A 102 2.161 12.796 10.243 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.122 14.221 10.380 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.187 12.411 9.188 1.00 0.00 C ATOM 0 H THR A 102 1.244 10.309 9.291 1.00 0.00 H new ATOM 0 HA THR A 102 0.031 12.673 10.565 1.00 0.00 H new ATOM 0 HB THR A 102 2.454 12.347 11.192 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.395 14.583 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.165 12.797 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.235 11.325 9.107 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.897 12.834 8.226 1.00 0.00 H new ATOM 1584 N THR A 103 0.311 11.756 7.543 1.00 0.00 N ATOM 1585 CA THR A 103 -0.011 12.055 6.153 1.00 0.00 C ATOM 1586 C THR A 103 -0.895 10.970 5.548 1.00 0.00 C ATOM 1587 O THR A 103 -1.307 10.035 6.235 1.00 0.00 O ATOM 1588 CB THR A 103 1.263 12.199 5.299 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.964 12.903 4.089 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.849 10.835 4.967 1.00 0.00 C ATOM 0 H THR A 103 0.439 10.764 7.742 1.00 0.00 H new ATOM 0 HA THR A 103 -0.550 13.003 6.150 1.00 0.00 H new ATOM 0 HB THR A 103 1.998 12.762 5.874 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.779 12.992 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.748 10.962 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.103 10.313 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.117 10.251 4.409 1.00 0.00 H new ATOM 1598 N THR A 104 -1.182 11.099 4.256 1.00 0.00 N ATOM 1599 CA THR A 104 -2.017 10.130 3.558 1.00 0.00 C ATOM 1600 C THR A 104 -1.298 9.560 2.341 1.00 0.00 C ATOM 1601 O THR A 104 -0.139 9.887 2.082 1.00 0.00 O ATOM 1602 CB THR A 104 -3.349 10.758 3.106 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.106 11.750 2.101 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.077 11.389 4.283 1.00 0.00 C ATOM 0 H THR A 104 -0.848 11.866 3.672 1.00 0.00 H new ATOM 0 HA THR A 104 -2.224 9.326 4.264 1.00 0.00 H new ATOM 0 HB THR A 104 -3.976 9.968 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.957 12.144 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.015 11.826 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.286 10.626 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.453 12.168 4.721 1.00 0.00 H new ATOM 1612 N LEU A 105 -1.991 8.707 1.596 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.419 8.091 0.404 1.00 0.00 C ATOM 1614 C LEU A 105 -1.726 8.921 -0.839 1.00 0.00 C ATOM 1615 O LEU A 105 -2.851 8.913 -1.339 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.959 6.671 0.229 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.744 5.721 1.408 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.448 4.396 1.162 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.258 5.500 1.651 1.00 0.00 C ATOM 0 H LEU A 105 -2.951 8.426 1.796 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.337 8.048 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.029 6.733 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.494 6.233 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.174 6.177 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.284 3.733 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.517 4.569 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.049 3.934 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.124 4.822 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.196 5.066 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.220 6.454 1.874 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.719 9.633 -1.333 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.881 10.464 -2.519 1.00 0.00 C ATOM 1633 C ILE A 106 -0.834 9.624 -3.790 1.00 0.00 C ATOM 1634 O ILE A 106 -1.849 9.436 -4.459 1.00 0.00 O ATOM 1635 CB ILE A 106 0.205 11.553 -2.596 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.233 12.369 -1.301 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.037 12.459 -3.794 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -0.995 13.228 -1.102 1.00 0.00 C ATOM 0 H ILE A 106 0.218 9.651 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.858 10.941 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 106 1.174 11.070 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.332 11.689 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.117 13.007 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.739 13.223 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.011 11.867 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.012 12.937 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.907 13.778 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.084 13.932 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.881 12.594 -1.068 1.00 0.00 H new ATOM 1650 N GLU A 107 0.352 9.119 -4.115 1.00 0.00 N ATOM 1651 CA GLU A 107 0.531 8.297 -5.306 1.00 0.00 C ATOM 1652 C GLU A 107 1.675 7.304 -5.116 1.00 0.00 C ATOM 1653 O GLU A 107 2.613 7.539 -4.354 1.00 0.00 O ATOM 1654 CB GLU A 107 0.806 9.180 -6.526 1.00 0.00 C ATOM 1655 CG GLU A 107 2.080 10.000 -6.409 1.00 0.00 C ATOM 1656 CD GLU A 107 2.531 10.570 -7.740 1.00 0.00 C ATOM 1657 OE1 GLU A 107 1.983 11.613 -8.154 1.00 0.00 O ATOM 1658 OE2 GLU A 107 3.431 9.973 -8.367 1.00 0.00 O ATOM 0 H GLU A 107 1.202 9.265 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.390 7.737 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.870 8.550 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.038 9.854 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.919 10.816 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.873 9.376 -5.998 1.00 0.00 H new ATOM 1665 N PRO A 108 1.595 6.168 -5.824 1.00 0.00 N ATOM 1666 CA PRO A 108 2.614 5.117 -5.750 1.00 0.00 C ATOM 1667 C PRO A 108 3.931 5.539 -6.392 1.00 0.00 C ATOM 1668 O PRO A 108 3.942 6.189 -7.437 1.00 0.00 O ATOM 1669 CB PRO A 108 1.986 3.959 -6.531 1.00 0.00 C ATOM 1670 CG PRO A 108 1.029 4.610 -7.470 1.00 0.00 C ATOM 1671 CD PRO A 108 0.505 5.822 -6.751 1.00 0.00 C ATOM 0 HA PRO A 108 2.868 4.868 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.743 3.388 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.476 3.263 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.524 4.891 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.218 3.931 -7.734 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.291 6.638 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.421 5.604 -6.219 1.00 0.00 H new ATOM 1679 N ALA A 109 5.038 5.166 -5.760 1.00 0.00 N ATOM 1680 CA ALA A 109 6.361 5.505 -6.271 1.00 0.00 C ATOM 1681 C ALA A 109 6.559 4.964 -7.683 1.00 0.00 C ATOM 1682 O ALA A 109 5.974 3.953 -8.074 1.00 0.00 O ATOM 1683 CB ALA A 109 7.439 4.968 -5.341 1.00 0.00 C ATOM 0 H ALA A 109 5.046 4.629 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 109 6.441 6.591 -6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.422 5.228 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.317 5.407 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.352 3.884 -5.271 1.00 0.00 H new ATOM 1689 N PRO A 110 7.402 5.650 -8.468 1.00 0.00 N ATOM 1690 CA PRO A 110 7.696 5.256 -9.849 1.00 0.00 C ATOM 1691 C PRO A 110 8.517 3.973 -9.923 1.00 0.00 C ATOM 1692 O PRO A 110 9.311 3.680 -9.029 1.00 0.00 O ATOM 1693 CB PRO A 110 8.503 6.439 -10.391 1.00 0.00 C ATOM 1694 CG PRO A 110 9.120 7.060 -9.185 1.00 0.00 C ATOM 1695 CD PRO A 110 8.134 6.864 -8.067 1.00 0.00 C ATOM 0 HA PRO A 110 6.789 5.046 -10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.263 6.109 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.863 7.147 -10.918 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.075 6.590 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.318 8.119 -9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.635 6.733 -7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.467 7.720 -7.964 1.00 0.00 H new